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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2009-07-25 00:01:37 UTC

Update Date

2021-09-14 15:44:16 UTC

HMDB ID

HMDB0012492

Secondary Accession Numbers

HMDB12492

Metabolite Identification

Common Name

1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate

Description

The novel carbohydrate-derived b-carboline, 1-pentahydroxypentyl-1,2,3,4-tetrahydro-b-carboline-3-carboxylic acid, was identified in fruit- and vegetable-derived products such as juices, jams, and tomato sauces. This compound occurred as two diastereoisomers, a cis isomer (the major compound) and a trans isomer, ranging from undetectable amounts to 6.5 ug/g. Grape, tomato, pineapple, and tropical juices exhibited the highest amount of this alkaloid (up to 3.8 mg/L), whereas apple, banana, and peach juices showed very low or nondetectable levels. This tetrahydro-b-carboline was also found in jams (up to 0.45 ug/g), and a relative high amount was present in tomato concentrate (6.5 ug/g) and sauce (up to 1.8 ug/g). This b-carboline occurred in fruit-derived products as a glycoconjugate from a chemical condensation of d-glucose and l-tryptophan that is highly favored at low pH values and high temperature. Production, processing treatments, and storage of fruit juices and jams can then release this b-carboline. Fruit-derived products and other foods containing this compound might be an exogenous dietary source of this glucose-derived tetrahydro-b-carboline.(PMID: 12137498 ).

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI


  Mrv1652305171818012D          

 26 28  0  0  0  0            999 V2000
   -1.4401   -5.1565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7256   -5.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0112   -5.1565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0112   -4.3315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7033   -5.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7033   -6.3940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4178   -5.1565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4178   -4.3315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1323   -5.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1323   -6.3940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8467   -5.1565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8467   -4.3315    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5612   -3.9190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2757   -4.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2757   -5.1565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5612   -5.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7327   -6.3760    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5532   -6.4623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8888   -5.7086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7092   -5.6223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1942   -6.2898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8586   -7.0435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0381   -7.1297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5612   -3.0940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2757   -2.6815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8467   -2.6815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 13 24  1  0  0  0  0
 24 25  2  0  0  0  0
 16 11  1  0  0  0  0
 23 18  1  0  0  0  0
 19 15  1  0  0  0  0
 26 24  1  0  0  0  0
M  END

HMDB0029992
     RDKit          3D
Tetrahydropentoxyline
 48 50  0  0  0  0  0  0  0  0999 V2000
   -0.6236    4.2749    0.9203 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7118    3.6456    0.9297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8788    4.3831    0.9972 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7435    2.1396    0.8695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6784    1.7777   -0.2441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6488    0.3059   -0.3942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4094   -0.2963   -0.3948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6126   -1.6010   -0.5379 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9383   -1.8634   -0.6298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6030   -3.0674   -0.7853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9828   -3.0381   -0.8501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6750   -1.8335   -0.7612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9656   -0.6420   -0.6048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6047   -0.6661   -0.5404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2190    0.6205   -0.2429 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9648   -0.2476   -0.0365 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0712   -1.1238   -1.1156 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2692    0.4679    0.1023 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3201    1.3707    1.1284 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3535   -0.5826    0.2144 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2034   -1.2833    1.4210 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7322    0.0396    0.2384 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8912    0.7397   -0.9559 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8007   -1.0567    0.2421 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7360   -1.8231    1.3955 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4405    1.5811    0.8050 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5287    4.4959    0.2455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2481    1.8054    1.8241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3340    2.2213   -1.2157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6781    2.1474    0.0133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8515   -2.3131   -0.5725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0312   -3.9794   -0.8502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5157   -3.9734   -0.9717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7553   -1.7864   -0.8095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4687    0.3129   -0.5321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1251    1.1708   -1.1982 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7928   -0.8932    0.8619 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9712   -0.6734   -1.9915 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4839    1.0273   -0.8462 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2124    2.2997    0.8112 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2508   -1.3334   -0.5864 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6465   -2.0953    1.2858 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8724    0.7149    1.1010 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7853    1.7166   -0.8376 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8103   -0.6272    0.1696 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6614   -1.7396   -0.6115 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6131   -1.9125    1.8213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1697    1.1933    1.7193 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
  7 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 15 26  1  0
 26  4  1  0
 14  6  1  0
 14  9  1  0
  3 27  1  0
  4 28  1  0
  5 29  1  0
  5 30  1  0
  8 31  1  0
 10 32  1  0
 11 33  1  0
 12 34  1  0
 13 35  1  0
 15 36  1  0
 16 37  1  0
 17 38  1  0
 18 39  1  0
 19 40  1  0
 20 41  1  0
 21 42  1  0
 22 43  1  0
 23 44  1  0
 24 45  1  0
 24 46  1  0
 25 47  1  0
 26 48  1  0
M  END


  Mrv1652305171818012D          

 26 28  0  0  0  0            999 V2000
   -1.4401   -5.1565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7256   -5.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0112   -5.1565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0112   -4.3315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7033   -5.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7033   -6.3940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4178   -5.1565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4178   -4.3315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1323   -5.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1323   -6.3940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8467   -5.1565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8467   -4.3315    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5612   -3.9190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2757   -4.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2757   -5.1565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5612   -5.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7327   -6.3760    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5532   -6.4623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8888   -5.7086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7092   -5.6223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1942   -6.2898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8586   -7.0435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0381   -7.1297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5612   -3.0940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2757   -2.6815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8467   -2.6815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 13 24  1  0  0  0  0
 24 25  2  0  0  0  0
 16 11  1  0  0  0  0
 23 18  1  0  0  0  0
 19 15  1  0  0  0  0
 26 24  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0012492

> <DATABASE_NAME>
hmdb

> <SMILES>
OCC(O)C(O)C(O)C(O)C1NC(CC2=C1NC1=C2C=CC=C1)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C17H22N2O7/c20-6-11(21)14(22)16(24)15(23)13-12-8(5-10(19-13)17(25)26)7-3-1-2-4-9(7)18-12/h1-4,10-11,13-16,18-24H,5-6H2,(H,25,26)

> <INCHI_KEY>
LCHFAYIGHOVWSA-UHFFFAOYSA-N

> <FORMULA>
C17H22N2O7

> <MOLECULAR_WEIGHT>
366.3658

> <EXACT_MASS>
366.142701068

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
48

> <JCHEM_AVERAGE_POLARIZABILITY>
37.55621284662874

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1-(1,2,3,4,5-pentahydroxypentyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylic acid

> <ALOGPS_LOGP>
-1.61

> <JCHEM_LOGP>
-4.103012188539728

> <ALOGPS_LOGS>
-1.31

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.605675292218734

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.0379020857182546

> <JCHEM_PKA_STRONGEST_BASIC>
6.549390178418132

> <JCHEM_POLAR_SURFACE_AREA>
166.26999999999998

> <JCHEM_REFRACTIVITY>
89.222

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.81e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1-(1,2,3,4,5-pentahydroxypentyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0029992
     RDKit          3D
Tetrahydropentoxyline
 48 50  0  0  0  0  0  0  0  0999 V2000
   -0.6236    4.2749    0.9203 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7118    3.6456    0.9297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8788    4.3831    0.9972 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7435    2.1396    0.8695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6784    1.7777   -0.2441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6488    0.3059   -0.3942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4094   -0.2963   -0.3948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6126   -1.6010   -0.5379 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9383   -1.8634   -0.6298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6030   -3.0674   -0.7853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9828   -3.0381   -0.8501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6750   -1.8335   -0.7612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9656   -0.6420   -0.6048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6047   -0.6661   -0.5404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2190    0.6205   -0.2429 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9648   -0.2476   -0.0365 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0712   -1.1238   -1.1156 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2692    0.4679    0.1023 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3201    1.3707    1.1284 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3535   -0.5826    0.2144 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2034   -1.2833    1.4210 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7322    0.0396    0.2384 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8912    0.7397   -0.9559 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8007   -1.0567    0.2421 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7360   -1.8231    1.3955 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4405    1.5811    0.8050 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5287    4.4959    0.2455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2481    1.8054    1.8241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3340    2.2213   -1.2157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6781    2.1474    0.0133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8515   -2.3131   -0.5725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0312   -3.9794   -0.8502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5157   -3.9734   -0.9717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7553   -1.7864   -0.8095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4687    0.3129   -0.5321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1251    1.1708   -1.1982 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7928   -0.8932    0.8619 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9712   -0.6734   -1.9915 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4839    1.0273   -0.8462 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2124    2.2997    0.8112 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2508   -1.3334   -0.5864 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6465   -2.0953    1.2858 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8724    0.7149    1.1010 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7853    1.7166   -0.8376 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8103   -0.6272    0.1696 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6614   -1.7396   -0.6115 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6131   -1.9125    1.8213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1697    1.1933    1.7193 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
  7 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 15 26  1  0
 26  4  1  0
 14  6  1  0
 14  9  1  0
  3 27  1  0
  4 28  1  0
  5 29  1  0
  5 30  1  0
  8 31  1  0
 10 32  1  0
 11 33  1  0
 12 34  1  0
 13 35  1  0
 15 36  1  0
 16 37  1  0
 17 38  1  0
 18 39  1  0
 19 40  1  0
 20 41  1  0
 21 42  1  0
 22 43  1  0
 23 44  1  0
 24 45  1  0
 24 46  1  0
 25 47  1  0
 26 48  1  0
M  END

HEADER    PROTEIN                                 17-MAY-18   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   17-MAY-18         0                                  
HETATM    1  O   UNK     0      -2.688  -9.626   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0      -1.355 -10.396   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -0.021  -9.626   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      -0.021  -8.086   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       1.313 -10.396   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       1.313 -11.936   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       2.647  -9.626   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       2.647  -8.086   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       3.980 -10.396   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       3.980 -11.936   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       5.314  -9.626   0.000  0.00  0.00           C+0
HETATM   12  N   UNK     0       5.314  -8.086   0.000  0.00  0.00           N+0
HETATM   13  C   UNK     0       6.648  -7.316   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       7.981  -8.086   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       7.981  -9.626   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       6.648 -10.396   0.000  0.00  0.00           C+0
HETATM   17  N   UNK     0       6.968 -11.902   0.000  0.00  0.00           N+0
HETATM   18  C   UNK     0       8.499 -12.063   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       9.126 -10.656   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      10.657 -10.495   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      11.562 -11.741   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      10.936 -13.148   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       9.404 -13.309   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       6.648  -5.776   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       7.981  -5.006   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0       5.314  -5.006   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12   16                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   24                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   19                                                  
CONECT   16   15   17   11                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19   23                                                  
CONECT   19   18   20   15                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   18                                                       
CONECT   24   13   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24                                                            
MASTER        0    0    0    0    0    0    0    0   26    0   56    0
END

COMPND    HMDB0012492
HETATM    1  O1  UNL     1      -2.936  -4.306   0.655  1.00  0.00           O  
HETATM    2  C1  UNL     1      -2.109  -3.751   0.033  1.00  0.00           C  
HETATM    3  O2  UNL     1      -1.277  -4.420  -0.882  1.00  0.00           O  
HETATM    4  C2  UNL     1      -1.856  -2.296   0.126  1.00  0.00           C  
HETATM    5  C3  UNL     1      -2.714  -1.605  -0.820  1.00  0.00           C  
HETATM    6  C4  UNL     1      -2.774  -0.285  -0.324  1.00  0.00           C  
HETATM    7  C5  UNL     1      -1.465   0.255   0.086  1.00  0.00           C  
HETATM    8  N1  UNL     1      -1.690   1.429   0.593  1.00  0.00           N  
HETATM    9  C6  UNL     1      -2.941   1.876   0.564  1.00  0.00           C  
HETATM   10  C7  UNL     1      -3.533   3.051   0.724  1.00  0.00           C  
HETATM   11  C8  UNL     1      -4.852   3.111   0.294  1.00  0.00           C  
HETATM   12  C9  UNL     1      -5.622   2.132  -0.257  1.00  0.00           C  
HETATM   13  C10 UNL     1      -4.910   0.887  -0.394  1.00  0.00           C  
HETATM   14  C11 UNL     1      -3.617   0.770  -0.018  1.00  0.00           C  
HETATM   15  C12 UNL     1      -0.303  -0.584  -0.295  1.00  0.00           C  
HETATM   16  C13 UNL     1       0.951   0.145   0.214  1.00  0.00           C  
HETATM   17  O3  UNL     1       0.923  -0.048   1.589  1.00  0.00           O  
HETATM   18  C14 UNL     1       2.207  -0.192  -0.495  1.00  0.00           C  
HETATM   19  O4  UNL     1       2.191   0.629  -1.659  1.00  0.00           O  
HETATM   20  C15 UNL     1       3.351   0.186   0.446  1.00  0.00           C  
HETATM   21  O5  UNL     1       3.591  -1.040   1.134  1.00  0.00           O  
HETATM   22  C16 UNL     1       4.528   0.706  -0.267  1.00  0.00           C  
HETATM   23  O6  UNL     1       4.444   2.094  -0.476  1.00  0.00           O  
HETATM   24  C17 UNL     1       5.747   0.346   0.500  1.00  0.00           C  
HETATM   25  O7  UNL     1       6.870   0.736  -0.182  1.00  0.00           O  
HETATM   26  N2  UNL     1      -0.517  -1.869   0.327  1.00  0.00           N  
HETATM   27  H1  UNL     1      -0.984  -5.369  -0.665  1.00  0.00           H  
HETATM   28  H2  UNL     1      -2.308  -2.049   1.212  1.00  0.00           H  
HETATM   29  H3  UNL     1      -2.358  -1.836  -1.806  1.00  0.00           H  
HETATM   30  H4  UNL     1      -3.777  -2.082  -0.638  1.00  0.00           H  
HETATM   31  H5  UNL     1      -0.913   1.949   1.226  1.00  0.00           H  
HETATM   32  H6  UNL     1      -2.967   3.851   1.119  1.00  0.00           H  
HETATM   33  H7  UNL     1      -5.344   4.078   0.513  1.00  0.00           H  
HETATM   34  H8  UNL     1      -6.581   2.243  -0.651  1.00  0.00           H  
HETATM   35  H9  UNL     1      -5.472   0.027  -0.780  1.00  0.00           H  
HETATM   36  H10 UNL     1      -0.168  -0.606  -1.395  1.00  0.00           H  
HETATM   37  H11 UNL     1       0.737   1.256   0.072  1.00  0.00           H  
HETATM   38  H12 UNL     1       0.910  -1.002   1.830  1.00  0.00           H  
HETATM   39  H13 UNL     1       2.180  -1.233  -0.817  1.00  0.00           H  
HETATM   40  H14 UNL     1       2.062   1.580  -1.438  1.00  0.00           H  
HETATM   41  H15 UNL     1       3.013   0.902   1.207  1.00  0.00           H  
HETATM   42  H16 UNL     1       3.107  -1.793   0.812  1.00  0.00           H  
HETATM   43  H17 UNL     1       4.561   0.331  -1.342  1.00  0.00           H  
HETATM   44  H18 UNL     1       3.949   2.436   0.372  1.00  0.00           H  
HETATM   45  H19 UNL     1       5.664   0.929   1.463  1.00  0.00           H  
HETATM   46  H20 UNL     1       5.778  -0.724   0.705  1.00  0.00           H  
HETATM   47  H21 UNL     1       7.022   1.694  -0.146  1.00  0.00           H  
HETATM   48  H22 UNL     1       0.204  -2.538   0.056  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4
CONECT    3   27
CONECT    4    5   26   28
CONECT    5    6   29   30
CONECT    6    7    7   14
CONECT    7    8   15
CONECT    8    9   31
CONECT    9   10   10   14
CONECT   10   11   32
CONECT   11   12   12   33
CONECT   12   13   34
CONECT   13   14   14   35
CONECT   15   16   26   36
CONECT   16   17   18   37
CONECT   17   38
CONECT   18   19   20   39
CONECT   19   40
CONECT   20   21   22   41
CONECT   21   42
CONECT   22   23   24   43
CONECT   23   44
CONECT   24   25   45   46
CONECT   25   47
CONECT   26   48
END

HMDB0029992
     RDKit          3D
Tetrahydropentoxyline
 48 50  0  0  0  0  0  0  0  0999 V2000
   -0.6236    4.2749    0.9203 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7118    3.6456    0.9297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8788    4.3831    0.9972 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7435    2.1396    0.8695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6784    1.7777   -0.2441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6488    0.3059   -0.3942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4094   -0.2963   -0.3948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6126   -1.6010   -0.5379 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9383   -1.8634   -0.6298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6030   -3.0674   -0.7853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9828   -3.0381   -0.8501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6750   -1.8335   -0.7612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9656   -0.6420   -0.6048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6047   -0.6661   -0.5404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2190    0.6205   -0.2429 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9648   -0.2476   -0.0365 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0712   -1.1238   -1.1156 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2692    0.4679    0.1023 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3201    1.3707    1.1284 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3535   -0.5826    0.2144 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2034   -1.2833    1.4210 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7322    0.0396    0.2384 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8912    0.7397   -0.9559 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8007   -1.0567    0.2421 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7360   -1.8231    1.3955 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4405    1.5811    0.8050 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5287    4.4959    0.2455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2481    1.8054    1.8241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3340    2.2213   -1.2157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6781    2.1474    0.0133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8515   -2.3131   -0.5725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0312   -3.9794   -0.8502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5157   -3.9734   -0.9717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7553   -1.7864   -0.8095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4687    0.3129   -0.5321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1251    1.1708   -1.1982 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7928   -0.8932    0.8619 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9712   -0.6734   -1.9915 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4839    1.0273   -0.8462 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2124    2.2997    0.8112 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2508   -1.3334   -0.5864 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6465   -2.0953    1.2858 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8724    0.7149    1.1010 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7853    1.7166   -0.8376 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8103   -0.6272    0.1696 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6614   -1.7396   -0.6115 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6131   -1.9125    1.8213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1697    1.1933    1.7193 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
  7 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 15 26  1  0
 26  4  1  0
 14  6  1  0
 14  9  1  0
  3 27  1  0
  4 28  1  0
  5 29  1  0
  5 30  1  0
  8 31  1  0
 10 32  1  0
 11 33  1  0
 12 34  1  0
 13 35  1  0
 15 36  1  0
 16 37  1  0
 17 38  1  0
 18 39  1  0
 19 40  1  0
 20 41  1  0
 21 42  1  0
 22 43  1  0
 23 44  1  0
 24 45  1  0
 24 46  1  0
 25 47  1  0
 26 48  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-b-carboline-3-carboxylate	Generator
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-b-carboline-3-carboxylic acid	Generator
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid	Generator
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-β-carboline-3-carboxylate	Generator
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-β-carboline-3-carboxylic acid	Generator
1,2,3,4-Tetrahydro-1-(1,2,3,4,5-pentahydroxypentyl)-b-carboline-3-carboxylic acid	HMDB
1-C-(3-Carboxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)pentitol, 9ci	HMDB
1-(1,2,3,4,5-Pentahydroxypentyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylate	HMDB

Chemical Formula

C₁₇H₂₂N₂O₇

Average Molecular Weight

366.3658

Monoisotopic Molecular Weight

366.142701068

IUPAC Name

1-(1,2,3,4,5-pentahydroxypentyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylic acid

Traditional Name

1-(1,2,3,4,5-pentahydroxypentyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylic acid

CAS Registry Number

Not Available

SMILES

OCC(O)C(O)C(O)C(O)C1NC(CC2=C1NC1=C2C=CC=C1)C(O)=O

InChI Identifier

InChI=1S/C17H22N2O7/c20-6-11(21)14(22)16(24)15(23)13-12-8(5-10(19-13)17(25)26)7-3-1-2-4-9(7)18-12/h1-4,10-11,13-16,18-24H,5-6H2,(H,25,26)

InChI Key

LCHFAYIGHOVWSA-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 8-prenylated xanthones. These are organic compounds containing a C5-isoprenoid group linked to a xanthone moiety at the 8-position. Xanthone is a tricyclic compound made up of two benzene rings linearly fused to each other through a pyran ring that carries a ketone group.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Benzopyrans

Sub Class

1-benzopyrans

Direct Parent

8-prenylated xanthones

Alternative Parents

Substituents

4-prenylated xanthone
8-prenylated xanthone
Chromone
1-hydroxy-2-unsubstituted benzenoid
Pyranone
Pyran
Benzenoid
Heteroaromatic compound
Vinylogous acid
Polyol
Oxacycle
Organic oxygen compound
Hydrocarbon derivative
Organic oxide
Organooxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Not Available

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	25.2 g/L	ALOGPS
logP	-1.6	ALOGPS
logP	-4.1	ChemAxon
logS	-1.3	ALOGPS
pKa (Strongest Acidic)	3.04	ChemAxon
pKa (Strongest Basic)	6.55	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	166.27 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	89.22 m³·mol⁻¹	ChemAxon
Polarizability	37.56 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	184.786	31661259
DarkChem	[M-H]-	182.491	31661259
DarkChem	[M+H]+	184.786	31661259
DarkChem	[M-H]-	182.491	31661259
DeepCCS	[M+H]+	179.422	30932474
DeepCCS	[M-H]-	177.064	30932474
DeepCCS	[M-2H]-	210.831	30932474
DeepCCS	[M+Na]+	186.058	30932474
AllCCS	[M+H]+	187.5	32859911
AllCCS	[M+H-H2O]+	184.6	32859911
AllCCS	[M+NH4]+	190.1	32859911
AllCCS	[M+Na]+	190.8	32859911
AllCCS	[M-H]-	186.0	32859911
AllCCS	[M+Na-2H]-	186.1	32859911
AllCCS	[M+HCOO]-	186.4	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate	OCC(O)C(O)C(O)C(O)C1NC(CC2=C1NC1=C2C=CC=C1)C(O)=O	4789.8	Standard polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate	OCC(O)C(O)C(O)C(O)C1NC(CC2=C1NC1=C2C=CC=C1)C(O)=O	3124.1	Standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate	OCC(O)C(O)C(O)C(O)C1NC(CC2=C1NC1=C2C=CC=C1)C(O)=O	3835.7	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,1TMS,isomer #1	C[Si](C)(C)OCC(O)C(O)C(O)C(O)C1NC(C(=O)O)CC2=C1[NH]C1=CC=CC=C21	3698.2	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,1TMS,isomer #2	C[Si](C)(C)OC(CO)C(O)C(O)C(O)C1NC(C(=O)O)CC2=C1[NH]C1=CC=CC=C21	3705.0	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,1TMS,isomer #3	C[Si](C)(C)OC(C(O)CO)C(O)C(O)C1NC(C(=O)O)CC2=C1[NH]C1=CC=CC=C21	3693.1	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,1TMS,isomer #4	C[Si](C)(C)OC(C(O)C(O)CO)C(O)C1NC(C(=O)O)CC2=C1[NH]C1=CC=CC=C21	3674.0	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,1TMS,isomer #5	C[Si](C)(C)OC(C1NC(C(=O)O)CC2=C1[NH]C1=CC=CC=C21)C(O)C(O)C(O)CO	3629.2	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,1TMS,isomer #6	C[Si](C)(C)OC(=O)C1CC2=C([NH]C3=CC=CC=C23)C(C(O)C(O)C(O)C(O)CO)N1	3613.8	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,1TMS,isomer #7	C[Si](C)(C)N1C(C(=O)O)CC2=C([NH]C3=CC=CC=C23)C1C(O)C(O)C(O)C(O)CO	3658.0	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,1TMS,isomer #8	C[Si](C)(C)N1C2=C(CC(C(=O)O)NC2C(O)C(O)C(O)C(O)CO)C2=CC=CC=C21	3670.4	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,2TMS,isomer #1	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O)C(O)C1NC(C(=O)O)CC2=C1[NH]C1=CC=CC=C21	3615.5	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,2TMS,isomer #10	C[Si](C)(C)OC(CO)C(O)C(O)C(O[Si](C)(C)C)C1NC(C(=O)O)CC2=C1[NH]C1=CC=CC=C21	3569.1	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,2TMS,isomer #11	C[Si](C)(C)OC(=O)C1CC2=C([NH]C3=CC=CC=C23)C(C(O)C(O)C(O)C(CO)O[Si](C)(C)C)N1	3561.5	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,2TMS,isomer #12	C[Si](C)(C)OC(CO)C(O)C(O)C(O)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C)C1=CC=CC=C1[NH]2	3586.5	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,2TMS,isomer #13	C[Si](C)(C)OC(CO)C(O)C(O)C(O)C1NC(C(=O)O)CC2=C1N([Si](C)(C)C)C1=CC=CC=C21	3628.7	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,2TMS,isomer #14	C[Si](C)(C)OC(C(O)CO)C(O[Si](C)(C)C)C(O)C1NC(C(=O)O)CC2=C1[NH]C1=CC=CC=C21	3599.3	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,2TMS,isomer #15	C[Si](C)(C)OC(C(O)CO)C(O)C(O[Si](C)(C)C)C1NC(C(=O)O)CC2=C1[NH]C1=CC=CC=C21	3565.4	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,2TMS,isomer #16	C[Si](C)(C)OC(=O)C1CC2=C([NH]C3=CC=CC=C23)C(C(O)C(O)C(O[Si](C)(C)C)C(O)CO)N1	3547.9	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,2TMS,isomer #17	C[Si](C)(C)OC(C(O)CO)C(O)C(O)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C)C1=CC=CC=C1[NH]2	3587.7	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,2TMS,isomer #18	C[Si](C)(C)OC(C(O)CO)C(O)C(O)C1NC(C(=O)O)CC2=C1N([Si](C)(C)C)C1=CC=CC=C21	3618.4	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,2TMS,isomer #19	C[Si](C)(C)OC(C1NC(C(=O)O)CC2=C1[NH]C1=CC=CC=C21)C(O[Si](C)(C)C)C(O)C(O)CO	3552.3	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,2TMS,isomer #2	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O)C(O)C1NC(C(=O)O)CC2=C1[NH]C1=CC=CC=C21	3610.3	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,2TMS,isomer #20	C[Si](C)(C)OC(=O)C1CC2=C([NH]C3=CC=CC=C23)C(C(O)C(O[Si](C)(C)C)C(O)C(O)CO)N1	3517.9	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,2TMS,isomer #21	C[Si](C)(C)OC(C(O)C(O)CO)C(O)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C)C1=CC=CC=C1[NH]2	3585.9	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,2TMS,isomer #22	C[Si](C)(C)OC(C(O)C(O)CO)C(O)C1NC(C(=O)O)CC2=C1N([Si](C)(C)C)C1=CC=CC=C21	3590.6	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,2TMS,isomer #23	C[Si](C)(C)OC(=O)C1CC2=C([NH]C3=CC=CC=C23)C(C(O[Si](C)(C)C)C(O)C(O)C(O)CO)N1	3511.3	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,2TMS,isomer #24	C[Si](C)(C)OC(C(O)C(O)C(O)CO)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C)C1=CC=CC=C1[NH]2	3589.3	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,2TMS,isomer #25	C[Si](C)(C)OC(C1NC(C(=O)O)CC2=C1N([Si](C)(C)C)C1=CC=CC=C21)C(O)C(O)C(O)CO	3540.0	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,2TMS,isomer #26	C[Si](C)(C)OC(=O)C1CC2=C(C(C(O)C(O)C(O)C(O)CO)N1)N([Si](C)(C)C)C1=CC=CC=C21	3545.3	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,2TMS,isomer #27	C[Si](C)(C)OC(=O)C1CC2=C([NH]C3=CC=CC=C23)C(C(O)C(O)C(O)C(O)CO)N1[Si](C)(C)C	3559.9	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,2TMS,isomer #28	C[Si](C)(C)N1C(C(=O)O)CC2=C(C1C(O)C(O)C(O)C(O)CO)N([Si](C)(C)C)C1=CC=CC=C21	3573.3	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,2TMS,isomer #3	C[Si](C)(C)OCC(O)C(O)C(O[Si](C)(C)C)C(O)C1NC(C(=O)O)CC2=C1[NH]C1=CC=CC=C21	3595.8	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,2TMS,isomer #4	C[Si](C)(C)OCC(O)C(O)C(O)C(O[Si](C)(C)C)C1NC(C(=O)O)CC2=C1[NH]C1=CC=CC=C21	3558.9	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,2TMS,isomer #5	C[Si](C)(C)OCC(O)C(O)C(O)C(O)C1NC(C(=O)O[Si](C)(C)C)CC2=C1[NH]C1=CC=CC=C21	3532.6	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,2TMS,isomer #6	C[Si](C)(C)OCC(O)C(O)C(O)C(O)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C)C1=CC=CC=C1[NH]2	3580.0	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,2TMS,isomer #7	C[Si](C)(C)OCC(O)C(O)C(O)C(O)C1NC(C(=O)O)CC2=C1N([Si](C)(C)C)C1=CC=CC=C21	3602.7	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,2TMS,isomer #8	C[Si](C)(C)OC(CO)C(O[Si](C)(C)C)C(O)C(O)C1NC(C(=O)O)CC2=C1[NH]C1=CC=CC=C21	3610.3	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,2TMS,isomer #9	C[Si](C)(C)OC(CO)C(O)C(O[Si](C)(C)C)C(O)C1NC(C(=O)O)CC2=C1[NH]C1=CC=CC=C21	3597.9	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TMS,isomer #1	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O)C1NC(C(=O)O)CC2=C1[NH]C1=CC=CC=C21	3540.3	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TMS,isomer #10	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O)C(O)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C)C1=CC=CC=C1[NH]2	3551.9	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TMS,isomer #11	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O)C(O)C1NC(C(=O)O)CC2=C1N([Si](C)(C)C)C1=CC=CC=C21	3526.9	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TMS,isomer #12	C[Si](C)(C)OCC(O)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1NC(C(=O)O)CC2=C1[NH]C1=CC=CC=C21	3452.5	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TMS,isomer #13	C[Si](C)(C)OCC(O)C(O)C(O[Si](C)(C)C)C(O)C1NC(C(=O)O[Si](C)(C)C)CC2=C1[NH]C1=CC=CC=C21	3447.9	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TMS,isomer #14	C[Si](C)(C)OCC(O)C(O)C(O[Si](C)(C)C)C(O)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C)C1=CC=CC=C1[NH]2	3561.4	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TMS,isomer #15	C[Si](C)(C)OCC(O)C(O)C(O[Si](C)(C)C)C(O)C1NC(C(=O)O)CC2=C1N([Si](C)(C)C)C1=CC=CC=C21	3519.4	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TMS,isomer #16	C[Si](C)(C)OCC(O)C(O)C(O)C(O[Si](C)(C)C)C1NC(C(=O)O[Si](C)(C)C)CC2=C1[NH]C1=CC=CC=C21	3437.4	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TMS,isomer #17	C[Si](C)(C)OCC(O)C(O)C(O)C(O[Si](C)(C)C)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C)C1=CC=CC=C1[NH]2	3530.4	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TMS,isomer #18	C[Si](C)(C)OCC(O)C(O)C(O)C(O[Si](C)(C)C)C1NC(C(=O)O)CC2=C1N([Si](C)(C)C)C1=CC=CC=C21	3473.4	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TMS,isomer #19	C[Si](C)(C)OCC(O)C(O)C(O)C(O)C1C2=C(CC(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C1=CC=CC=C1[NH]2	3489.1	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TMS,isomer #2	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O)C1NC(C(=O)O)CC2=C1[NH]C1=CC=CC=C21	3495.2	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TMS,isomer #20	C[Si](C)(C)OCC(O)C(O)C(O)C(O)C1NC(C(=O)O[Si](C)(C)C)CC2=C1N([Si](C)(C)C)C1=CC=CC=C21	3475.3	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TMS,isomer #21	C[Si](C)(C)OCC(O)C(O)C(O)C(O)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C)C1=CC=CC=C1N2[Si](C)(C)C	3513.0	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TMS,isomer #22	C[Si](C)(C)OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1NC(C(=O)O)CC2=C1[NH]C1=CC=CC=C21	3502.5	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TMS,isomer #23	C[Si](C)(C)OC(CO)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1NC(C(=O)O)CC2=C1[NH]C1=CC=CC=C21	3469.9	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TMS,isomer #24	C[Si](C)(C)OC(=O)C1CC2=C([NH]C3=CC=CC=C23)C(C(O)C(O)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C)N1	3472.9	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TMS,isomer #25	C[Si](C)(C)OC(CO)C(O[Si](C)(C)C)C(O)C(O)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C)C1=CC=CC=C1[NH]2	3568.6	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TMS,isomer #26	C[Si](C)(C)OC(CO)C(O[Si](C)(C)C)C(O)C(O)C1NC(C(=O)O)CC2=C1N([Si](C)(C)C)C1=CC=CC=C21	3537.0	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TMS,isomer #27	C[Si](C)(C)OC(CO)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1NC(C(=O)O)CC2=C1[NH]C1=CC=CC=C21	3451.6	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TMS,isomer #28	C[Si](C)(C)OC(=O)C1CC2=C([NH]C3=CC=CC=C23)C(C(O)C(O[Si](C)(C)C)C(O)C(CO)O[Si](C)(C)C)N1	3456.9	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TMS,isomer #29	C[Si](C)(C)OC(CO)C(O)C(O[Si](C)(C)C)C(O)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C)C1=CC=CC=C1[NH]2	3557.2	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TMS,isomer #3	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O)C(O[Si](C)(C)C)C1NC(C(=O)O)CC2=C1[NH]C1=CC=CC=C21	3472.9	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TMS,isomer #30	C[Si](C)(C)OC(CO)C(O)C(O[Si](C)(C)C)C(O)C1NC(C(=O)O)CC2=C1N([Si](C)(C)C)C1=CC=CC=C21	3531.2	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TMS,isomer #31	C[Si](C)(C)OC(=O)C1CC2=C([NH]C3=CC=CC=C23)C(C(O[Si](C)(C)C)C(O)C(O)C(CO)O[Si](C)(C)C)N1	3456.0	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TMS,isomer #32	C[Si](C)(C)OC(CO)C(O)C(O)C(O[Si](C)(C)C)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C)C1=CC=CC=C1[NH]2	3555.6	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TMS,isomer #33	C[Si](C)(C)OC(CO)C(O)C(O)C(O[Si](C)(C)C)C1NC(C(=O)O)CC2=C1N([Si](C)(C)C)C1=CC=CC=C21	3504.6	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TMS,isomer #34	C[Si](C)(C)OC(=O)C1CC2=C(C(C(O)C(O)C(O)C(CO)O[Si](C)(C)C)N1)N([Si](C)(C)C)C1=CC=CC=C21	3499.1	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TMS,isomer #35	C[Si](C)(C)OC(=O)C1CC2=C([NH]C3=CC=CC=C23)C(C(O)C(O)C(O)C(CO)O[Si](C)(C)C)N1[Si](C)(C)C	3514.1	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TMS,isomer #36	C[Si](C)(C)OC(CO)C(O)C(O)C(O)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C)C1=CC=CC=C1N2[Si](C)(C)C	3538.2	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TMS,isomer #37	C[Si](C)(C)OC(C(O)CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1NC(C(=O)O)CC2=C1[NH]C1=CC=CC=C21	3473.1	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TMS,isomer #38	C[Si](C)(C)OC(=O)C1CC2=C([NH]C3=CC=CC=C23)C(C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)CO)N1	3446.6	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TMS,isomer #39	C[Si](C)(C)OC(C(O)CO)C(O[Si](C)(C)C)C(O)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C)C1=CC=CC=C1[NH]2	3559.7	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TMS,isomer #4	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O)C(O)C1NC(C(=O)O[Si](C)(C)C)CC2=C1[NH]C1=CC=CC=C21	3471.5	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TMS,isomer #40	C[Si](C)(C)OC(C(O)CO)C(O[Si](C)(C)C)C(O)C1NC(C(=O)O)CC2=C1N([Si](C)(C)C)C1=CC=CC=C21	3525.8	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TMS,isomer #41	C[Si](C)(C)OC(=O)C1CC2=C([NH]C3=CC=CC=C23)C(C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O)CO)N1	3450.9	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TMS,isomer #42	C[Si](C)(C)OC(C(O)CO)C(O)C(O[Si](C)(C)C)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C)C1=CC=CC=C1[NH]2	3536.3	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TMS,isomer #43	C[Si](C)(C)OC(C(O)CO)C(O)C(O[Si](C)(C)C)C1NC(C(=O)O)CC2=C1N([Si](C)(C)C)C1=CC=CC=C21	3475.8	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TMS,isomer #44	C[Si](C)(C)OC(=O)C1CC2=C(C(C(O)C(O)C(O[Si](C)(C)C)C(O)CO)N1)N([Si](C)(C)C)C1=CC=CC=C21	3499.6	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TMS,isomer #45	C[Si](C)(C)OC(=O)C1CC2=C([NH]C3=CC=CC=C23)C(C(O)C(O)C(O[Si](C)(C)C)C(O)CO)N1[Si](C)(C)C	3523.8	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TMS,isomer #46	C[Si](C)(C)OC(C(O)CO)C(O)C(O)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C)C1=CC=CC=C1N2[Si](C)(C)C	3538.1	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TMS,isomer #47	C[Si](C)(C)OC(=O)C1CC2=C([NH]C3=CC=CC=C23)C(C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O)CO)N1	3424.0	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TMS,isomer #48	C[Si](C)(C)OC(C(O)C(O)CO)C(O[Si](C)(C)C)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C)C1=CC=CC=C1[NH]2	3530.1	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TMS,isomer #49	C[Si](C)(C)OC(C1NC(C(=O)O)CC2=C1N([Si](C)(C)C)C1=CC=CC=C21)C(O[Si](C)(C)C)C(O)C(O)CO	3473.7	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TMS,isomer #5	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O)C(O)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C)C1=CC=CC=C1[NH]2	3543.6	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TMS,isomer #50	C[Si](C)(C)OC(=O)C1CC2=C(C(C(O)C(O[Si](C)(C)C)C(O)C(O)CO)N1)N([Si](C)(C)C)C1=CC=CC=C21	3460.2	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TMS,isomer #51	C[Si](C)(C)OC(=O)C1CC2=C([NH]C3=CC=CC=C23)C(C(O)C(O[Si](C)(C)C)C(O)C(O)CO)N1[Si](C)(C)C	3496.5	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TMS,isomer #52	C[Si](C)(C)OC(C(O)C(O)CO)C(O)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C)C1=CC=CC=C1N2[Si](C)(C)C	3529.8	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TMS,isomer #53	C[Si](C)(C)OC(=O)C1CC2=C(C(C(O[Si](C)(C)C)C(O)C(O)C(O)CO)N1)N([Si](C)(C)C)C1=CC=CC=C21	3435.9	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TMS,isomer #54	C[Si](C)(C)OC(=O)C1CC2=C([NH]C3=CC=CC=C23)C(C(O[Si](C)(C)C)C(O)C(O)C(O)CO)N1[Si](C)(C)C	3499.5	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TMS,isomer #55	C[Si](C)(C)OC(C(O)C(O)C(O)CO)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C)C1=CC=CC=C1N2[Si](C)(C)C	3529.0	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TMS,isomer #56	C[Si](C)(C)OC(=O)C1CC2=C(C(C(O)C(O)C(O)C(O)CO)N1[Si](C)(C)C)N([Si](C)(C)C)C1=CC=CC=C21	3510.1	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TMS,isomer #6	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O)C(O)C1NC(C(=O)O)CC2=C1N([Si](C)(C)C)C1=CC=CC=C21	3538.3	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TMS,isomer #7	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1NC(C(=O)O)CC2=C1[NH]C1=CC=CC=C21	3491.4	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TMS,isomer #8	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1NC(C(=O)O)CC2=C1[NH]C1=CC=CC=C21	3461.3	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TMS,isomer #9	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O)C(O)C1NC(C(=O)O[Si](C)(C)C)CC2=C1[NH]C1=CC=CC=C21	3467.3	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TMS,isomer #1	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1NC(C(=O)O)CC2=C1[NH]C1=CC=CC=C21	3399.6	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TMS,isomer #10	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O)C(O[Si](C)(C)C)C1NC(C(=O)O[Si](C)(C)C)CC2=C1[NH]C1=CC=CC=C21	3378.4	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TMS,isomer #11	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O)C(O[Si](C)(C)C)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C)C1=CC=CC=C1[NH]2	3532.4	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TMS,isomer #12	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O)C(O[Si](C)(C)C)C1NC(C(=O)O)CC2=C1N([Si](C)(C)C)C1=CC=CC=C21	3410.3	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TMS,isomer #13	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O)C(O)C1C2=C(CC(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C1=CC=CC=C1[NH]2	3472.4	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TMS,isomer #14	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O)C(O)C1NC(C(=O)O[Si](C)(C)C)CC2=C1N([Si](C)(C)C)C1=CC=CC=C21	3411.9	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TMS,isomer #15	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O)C(O)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C)C1=CC=CC=C1N2[Si](C)(C)C	3491.7	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TMS,isomer #16	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1NC(C(=O)O)CC2=C1[NH]C1=CC=CC=C21	3363.1	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TMS,isomer #17	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1NC(C(=O)O[Si](C)(C)C)CC2=C1[NH]C1=CC=CC=C21	3349.5	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TMS,isomer #18	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C)C1=CC=CC=C1[NH]2	3524.1	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TMS,isomer #19	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1NC(C(=O)O)CC2=C1N([Si](C)(C)C)C1=CC=CC=C21	3429.3	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TMS,isomer #2	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1NC(C(=O)O)CC2=C1[NH]C1=CC=CC=C21	3381.6	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TMS,isomer #20	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1NC(C(=O)O[Si](C)(C)C)CC2=C1[NH]C1=CC=CC=C21	3368.7	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TMS,isomer #21	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C)C1=CC=CC=C1[NH]2	3517.4	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TMS,isomer #22	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1NC(C(=O)O)CC2=C1N([Si](C)(C)C)C1=CC=CC=C21	3412.4	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TMS,isomer #23	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O)C(O)C1C2=C(CC(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C1=CC=CC=C1[NH]2	3477.4	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TMS,isomer #24	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O)C(O)C1NC(C(=O)O[Si](C)(C)C)CC2=C1N([Si](C)(C)C)C1=CC=CC=C21	3408.3	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TMS,isomer #25	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O)C(O)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C)C1=CC=CC=C1N2[Si](C)(C)C	3503.1	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TMS,isomer #26	C[Si](C)(C)OCC(O)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1NC(C(=O)O[Si](C)(C)C)CC2=C1[NH]C1=CC=CC=C21	3352.0	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TMS,isomer #27	C[Si](C)(C)OCC(O)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C)C1=CC=CC=C1[NH]2	3528.7	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TMS,isomer #28	C[Si](C)(C)OCC(O)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1NC(C(=O)O)CC2=C1N([Si](C)(C)C)C1=CC=CC=C21	3412.0	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TMS,isomer #29	C[Si](C)(C)OCC(O)C(O)C(O[Si](C)(C)C)C(O)C1C2=C(CC(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C1=CC=CC=C1[NH]2	3500.2	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TMS,isomer #3	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O)C1NC(C(=O)O[Si](C)(C)C)CC2=C1[NH]C1=CC=CC=C21	3390.2	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TMS,isomer #30	C[Si](C)(C)OCC(O)C(O)C(O[Si](C)(C)C)C(O)C1NC(C(=O)O[Si](C)(C)C)CC2=C1N([Si](C)(C)C)C1=CC=CC=C21	3407.1	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TMS,isomer #31	C[Si](C)(C)OCC(O)C(O)C(O[Si](C)(C)C)C(O)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C)C1=CC=CC=C1N2[Si](C)(C)C	3520.4	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TMS,isomer #32	C[Si](C)(C)OCC(O)C(O)C(O)C(O[Si](C)(C)C)C1C2=C(CC(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C1=CC=CC=C1[NH]2	3468.0	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TMS,isomer #33	C[Si](C)(C)OCC(O)C(O)C(O)C(O[Si](C)(C)C)C1NC(C(=O)O[Si](C)(C)C)CC2=C1N([Si](C)(C)C)C1=CC=CC=C21	3390.5	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TMS,isomer #34	C[Si](C)(C)OCC(O)C(O)C(O)C(O[Si](C)(C)C)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C)C1=CC=CC=C1N2[Si](C)(C)C	3495.9	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TMS,isomer #35	C[Si](C)(C)OCC(O)C(O)C(O)C(O)C1C2=C(CC(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C1=CC=CC=C1N2[Si](C)(C)C	3474.7	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TMS,isomer #36	C[Si](C)(C)OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1NC(C(=O)O)CC2=C1[NH]C1=CC=CC=C21	3382.9	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TMS,isomer #37	C[Si](C)(C)OC(=O)C1CC2=C([NH]C3=CC=CC=C23)C(C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C)N1	3368.9	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TMS,isomer #38	C[Si](C)(C)OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C)C1=CC=CC=C1[NH]2	3541.4	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TMS,isomer #39	C[Si](C)(C)OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1NC(C(=O)O)CC2=C1N([Si](C)(C)C)C1=CC=CC=C21	3434.3	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TMS,isomer #4	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C)C1=CC=CC=C1[NH]2	3534.5	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TMS,isomer #40	C[Si](C)(C)OC(=O)C1CC2=C([NH]C3=CC=CC=C23)C(C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C)N1	3379.7	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TMS,isomer #41	C[Si](C)(C)OC(CO)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C)C1=CC=CC=C1[NH]2	3531.3	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TMS,isomer #42	C[Si](C)(C)OC(CO)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1NC(C(=O)O)CC2=C1N([Si](C)(C)C)C1=CC=CC=C21	3417.6	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TMS,isomer #43	C[Si](C)(C)OC(=O)C1CC2=C(C(C(O)C(O)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C)N1)N([Si](C)(C)C)C1=CC=CC=C21	3412.3	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TMS,isomer #44	C[Si](C)(C)OC(=O)C1CC2=C([NH]C3=CC=CC=C23)C(C(O)C(O)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C)N1[Si](C)(C)C	3482.0	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TMS,isomer #45	C[Si](C)(C)OC(CO)C(O[Si](C)(C)C)C(O)C(O)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C)C1=CC=CC=C1N2[Si](C)(C)C	3510.8	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TMS,isomer #46	C[Si](C)(C)OC(=O)C1CC2=C([NH]C3=CC=CC=C23)C(C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(CO)O[Si](C)(C)C)N1	3362.9	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TMS,isomer #47	C[Si](C)(C)OC(CO)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C)C1=CC=CC=C1[NH]2	3530.3	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TMS,isomer #48	C[Si](C)(C)OC(CO)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1NC(C(=O)O)CC2=C1N([Si](C)(C)C)C1=CC=CC=C21	3413.5	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TMS,isomer #49	C[Si](C)(C)OC(=O)C1CC2=C(C(C(O)C(O[Si](C)(C)C)C(O)C(CO)O[Si](C)(C)C)N1)N([Si](C)(C)C)C1=CC=CC=C21	3417.3	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TMS,isomer #5	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O)C1NC(C(=O)O)CC2=C1N([Si](C)(C)C)C1=CC=CC=C21	3447.1	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TMS,isomer #50	C[Si](C)(C)OC(=O)C1CC2=C([NH]C3=CC=CC=C23)C(C(O)C(O[Si](C)(C)C)C(O)C(CO)O[Si](C)(C)C)N1[Si](C)(C)C	3499.9	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TMS,isomer #51	C[Si](C)(C)OC(CO)C(O)C(O[Si](C)(C)C)C(O)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C)C1=CC=CC=C1N2[Si](C)(C)C	3528.6	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TMS,isomer #52	C[Si](C)(C)OC(=O)C1CC2=C(C(C(O[Si](C)(C)C)C(O)C(O)C(CO)O[Si](C)(C)C)N1)N([Si](C)(C)C)C1=CC=CC=C21	3418.5	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TMS,isomer #53	C[Si](C)(C)OC(=O)C1CC2=C([NH]C3=CC=CC=C23)C(C(O[Si](C)(C)C)C(O)C(O)C(CO)O[Si](C)(C)C)N1[Si](C)(C)C	3495.1	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TMS,isomer #54	C[Si](C)(C)OC(CO)C(O)C(O)C(O[Si](C)(C)C)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C)C1=CC=CC=C1N2[Si](C)(C)C	3526.8	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TMS,isomer #55	C[Si](C)(C)OC(=O)C1CC2=C(C(C(O)C(O)C(O)C(CO)O[Si](C)(C)C)N1[Si](C)(C)C)N([Si](C)(C)C)C1=CC=CC=C21	3500.8	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TMS,isomer #56	C[Si](C)(C)OC(=O)C1CC2=C([NH]C3=CC=CC=C23)C(C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)CO)N1	3373.7	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TMS,isomer #57	C[Si](C)(C)OC(C(O)CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C)C1=CC=CC=C1[NH]2	3521.2	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TMS,isomer #58	C[Si](C)(C)OC(C(O)CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1NC(C(=O)O)CC2=C1N([Si](C)(C)C)C1=CC=CC=C21	3426.6	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TMS,isomer #59	C[Si](C)(C)OC(=O)C1CC2=C(C(C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)CO)N1)N([Si](C)(C)C)C1=CC=CC=C21	3414.9	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TMS,isomer #6	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1NC(C(=O)O)CC2=C1[NH]C1=CC=CC=C21	3357.2	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TMS,isomer #60	C[Si](C)(C)OC(=O)C1CC2=C([NH]C3=CC=CC=C23)C(C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)CO)N1[Si](C)(C)C	3490.7	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TMS,isomer #61	C[Si](C)(C)OC(C(O)CO)C(O[Si](C)(C)C)C(O)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C)C1=CC=CC=C1N2[Si](C)(C)C	3518.3	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TMS,isomer #62	C[Si](C)(C)OC(=O)C1CC2=C(C(C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O)CO)N1)N([Si](C)(C)C)C1=CC=CC=C21	3407.3	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TMS,isomer #63	C[Si](C)(C)OC(=O)C1CC2=C([NH]C3=CC=CC=C23)C(C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O)CO)N1[Si](C)(C)C	3482.3	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TMS,isomer #64	C[Si](C)(C)OC(C(O)CO)C(O)C(O[Si](C)(C)C)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C)C1=CC=CC=C1N2[Si](C)(C)C	3508.9	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TMS,isomer #65	C[Si](C)(C)OC(=O)C1CC2=C(C(C(O)C(O)C(O[Si](C)(C)C)C(O)CO)N1[Si](C)(C)C)N([Si](C)(C)C)C1=CC=CC=C21	3506.8	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TMS,isomer #66	C[Si](C)(C)OC(=O)C1CC2=C(C(C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O)CO)N1)N([Si](C)(C)C)C1=CC=CC=C21	3379.1	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TMS,isomer #67	C[Si](C)(C)OC(=O)C1CC2=C([NH]C3=CC=CC=C23)C(C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O)CO)N1[Si](C)(C)C	3457.1	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TMS,isomer #68	C[Si](C)(C)OC(C(O)C(O)CO)C(O[Si](C)(C)C)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C)C1=CC=CC=C1N2[Si](C)(C)C	3492.4	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TMS,isomer #69	C[Si](C)(C)OC(=O)C1CC2=C(C(C(O)C(O[Si](C)(C)C)C(O)C(O)CO)N1[Si](C)(C)C)N([Si](C)(C)C)C1=CC=CC=C21	3498.3	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TMS,isomer #7	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O)C1NC(C(=O)O[Si](C)(C)C)CC2=C1[NH]C1=CC=CC=C21	3374.7	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TMS,isomer #70	C[Si](C)(C)OC(=O)C1CC2=C(C(C(O[Si](C)(C)C)C(O)C(O)C(O)CO)N1[Si](C)(C)C)N([Si](C)(C)C)C1=CC=CC=C21	3477.6	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TMS,isomer #8	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C)C1=CC=CC=C1[NH]2	3535.6	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TMS,isomer #9	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O)C1NC(C(=O)O)CC2=C1N([Si](C)(C)C)C1=CC=CC=C21	3430.0	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,5TMS,isomer #1	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1NC(C(=O)O)CC2=C1[NH]C1=CC=CC=C21	3310.9	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,5TMS,isomer #10	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C)C1=CC=CC=C1N2[Si](C)(C)C	3481.7	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,5TMS,isomer #11	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1NC(C(=O)O[Si](C)(C)C)CC2=C1[NH]C1=CC=CC=C21	3267.8	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,5TMS,isomer #12	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C)C1=CC=CC=C1[NH]2	3468.2	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,5TMS,isomer #13	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1NC(C(=O)O)CC2=C1N([Si](C)(C)C)C1=CC=CC=C21	3351.4	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,5TMS,isomer #14	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O)C1C2=C(CC(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C1=CC=CC=C1[NH]2	3450.1	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,5TMS,isomer #15	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O)C1NC(C(=O)O[Si](C)(C)C)CC2=C1N([Si](C)(C)C)C1=CC=CC=C21	3344.2	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,5TMS,isomer #16	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C)C1=CC=CC=C1N2[Si](C)(C)C	3501.0	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,5TMS,isomer #17	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O)C(O[Si](C)(C)C)C1C2=C(CC(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C1=CC=CC=C1[NH]2	3450.5	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,5TMS,isomer #18	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O)C(O[Si](C)(C)C)C1NC(C(=O)O[Si](C)(C)C)CC2=C1N([Si](C)(C)C)C1=CC=CC=C21	3348.2	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,5TMS,isomer #19	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O)C(O[Si](C)(C)C)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C)C1=CC=CC=C1N2[Si](C)(C)C	3495.7	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,5TMS,isomer #2	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1NC(C(=O)O[Si](C)(C)C)CC2=C1[NH]C1=CC=CC=C21	3278.4	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,5TMS,isomer #20	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O)C(O)C1C2=C(CC(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C1=CC=CC=C1N2[Si](C)(C)C	3446.3	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,5TMS,isomer #21	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1NC(C(=O)O[Si](C)(C)C)CC2=C1[NH]C1=CC=CC=C21	3251.3	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,5TMS,isomer #22	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C)C1=CC=CC=C1[NH]2	3457.7	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,5TMS,isomer #23	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1NC(C(=O)O)CC2=C1N([Si](C)(C)C)C1=CC=CC=C21	3348.0	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,5TMS,isomer #24	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1C2=C(CC(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C1=CC=CC=C1[NH]2	3434.6	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,5TMS,isomer #25	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1NC(C(=O)O[Si](C)(C)C)CC2=C1N([Si](C)(C)C)C1=CC=CC=C21	3326.2	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,5TMS,isomer #26	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C)C1=CC=CC=C1N2[Si](C)(C)C	3487.5	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,5TMS,isomer #27	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1C2=C(CC(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C1=CC=CC=C1[NH]2	3448.9	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,5TMS,isomer #28	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1NC(C(=O)O[Si](C)(C)C)CC2=C1N([Si](C)(C)C)C1=CC=CC=C21	3338.2	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,5TMS,isomer #29	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C)C1=CC=CC=C1N2[Si](C)(C)C	3487.4	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,5TMS,isomer #3	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C)C1=CC=CC=C1[NH]2	3478.6	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,5TMS,isomer #30	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O)C(O)C1C2=C(CC(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C1=CC=CC=C1N2[Si](C)(C)C	3454.2	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,5TMS,isomer #31	C[Si](C)(C)OCC(O)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1C2=C(CC(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C1=CC=CC=C1[NH]2	3447.8	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,5TMS,isomer #32	C[Si](C)(C)OCC(O)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1NC(C(=O)O[Si](C)(C)C)CC2=C1N([Si](C)(C)C)C1=CC=CC=C21	3335.6	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,5TMS,isomer #33	C[Si](C)(C)OCC(O)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C)C1=CC=CC=C1N2[Si](C)(C)C	3495.3	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,5TMS,isomer #34	C[Si](C)(C)OCC(O)C(O)C(O[Si](C)(C)C)C(O)C1C2=C(CC(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C1=CC=CC=C1N2[Si](C)(C)C	3480.4	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,5TMS,isomer #35	C[Si](C)(C)OCC(O)C(O)C(O)C(O[Si](C)(C)C)C1C2=C(CC(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C1=CC=CC=C1N2[Si](C)(C)C	3444.6	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,5TMS,isomer #36	C[Si](C)(C)OC(=O)C1CC2=C([NH]C3=CC=CC=C23)C(C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C)N1	3284.5	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,5TMS,isomer #37	C[Si](C)(C)OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C)C1=CC=CC=C1[NH]2	3477.6	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,5TMS,isomer #38	C[Si](C)(C)OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1NC(C(=O)O)CC2=C1N([Si](C)(C)C)C1=CC=CC=C21	3358.7	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,5TMS,isomer #39	C[Si](C)(C)OC(=O)C1CC2=C(C(C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C)N1)N([Si](C)(C)C)C1=CC=CC=C21	3334.9	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,5TMS,isomer #4	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1NC(C(=O)O)CC2=C1N([Si](C)(C)C)C1=CC=CC=C21	3367.4	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,5TMS,isomer #40	C[Si](C)(C)OC(=O)C1CC2=C([NH]C3=CC=CC=C23)C(C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C)N1[Si](C)(C)C	3439.1	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,5TMS,isomer #41	C[Si](C)(C)OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C)C1=CC=CC=C1N2[Si](C)(C)C	3495.4	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,5TMS,isomer #42	C[Si](C)(C)OC(=O)C1CC2=C(C(C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C)N1)N([Si](C)(C)C)C1=CC=CC=C21	3353.4	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,5TMS,isomer #43	C[Si](C)(C)OC(=O)C1CC2=C([NH]C3=CC=CC=C23)C(C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C)N1[Si](C)(C)C	3446.7	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,5TMS,isomer #44	C[Si](C)(C)OC(CO)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C)C1=CC=CC=C1N2[Si](C)(C)C	3492.5	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,5TMS,isomer #45	C[Si](C)(C)OC(=O)C1CC2=C(C(C(O)C(O)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C)N1[Si](C)(C)C)N([Si](C)(C)C)C1=CC=CC=C21	3451.1	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,5TMS,isomer #46	C[Si](C)(C)OC(=O)C1CC2=C(C(C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(CO)O[Si](C)(C)C)N1)N([Si](C)(C)C)C1=CC=CC=C21	3336.5	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,5TMS,isomer #47	C[Si](C)(C)OC(=O)C1CC2=C([NH]C3=CC=CC=C23)C(C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(CO)O[Si](C)(C)C)N1[Si](C)(C)C	3451.7	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,5TMS,isomer #48	C[Si](C)(C)OC(CO)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C)C1=CC=CC=C1N2[Si](C)(C)C	3493.2	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,5TMS,isomer #49	C[Si](C)(C)OC(=O)C1CC2=C(C(C(O)C(O[Si](C)(C)C)C(O)C(CO)O[Si](C)(C)C)N1[Si](C)(C)C)N([Si](C)(C)C)C1=CC=CC=C21	3478.1	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,5TMS,isomer #5	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1NC(C(=O)O[Si](C)(C)C)CC2=C1[NH]C1=CC=CC=C21	3302.6	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,5TMS,isomer #50	C[Si](C)(C)OC(=O)C1CC2=C(C(C(O[Si](C)(C)C)C(O)C(O)C(CO)O[Si](C)(C)C)N1[Si](C)(C)C)N([Si](C)(C)C)C1=CC=CC=C21	3458.8	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,5TMS,isomer #51	C[Si](C)(C)OC(=O)C1CC2=C(C(C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)CO)N1)N([Si](C)(C)C)C1=CC=CC=C21	3347.1	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,5TMS,isomer #52	C[Si](C)(C)OC(=O)C1CC2=C([NH]C3=CC=CC=C23)C(C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)CO)N1[Si](C)(C)C	3435.2	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,5TMS,isomer #53	C[Si](C)(C)OC(C(O)CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C)C1=CC=CC=C1N2[Si](C)(C)C	3495.1	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,5TMS,isomer #54	C[Si](C)(C)OC(=O)C1CC2=C(C(C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)CO)N1[Si](C)(C)C)N([Si](C)(C)C)C1=CC=CC=C21	3471.4	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,5TMS,isomer #55	C[Si](C)(C)OC(=O)C1CC2=C(C(C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O)CO)N1[Si](C)(C)C)N([Si](C)(C)C)C1=CC=CC=C21	3456.7	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,5TMS,isomer #56	C[Si](C)(C)OC(=O)C1CC2=C(C(C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O)CO)N1[Si](C)(C)C)N([Si](C)(C)C)C1=CC=CC=C21	3426.0	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,5TMS,isomer #6	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C)C1=CC=CC=C1[NH]2	3471.0	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,5TMS,isomer #7	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1NC(C(=O)O)CC2=C1N([Si](C)(C)C)C1=CC=CC=C21	3364.2	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,5TMS,isomer #8	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O)C1C2=C(CC(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C1=CC=CC=C1[NH]2	3434.4	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,5TMS,isomer #9	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O)C1NC(C(=O)O[Si](C)(C)C)CC2=C1N([Si](C)(C)C)C1=CC=CC=C21	3348.6	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,6TMS,isomer #1	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1NC(C(=O)O[Si](C)(C)C)CC2=C1[NH]C1=CC=CC=C21	3229.8	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,6TMS,isomer #10	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O)C1C2=C(CC(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C1=CC=CC=C1N2[Si](C)(C)C	3419.8	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,6TMS,isomer #11	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1C2=C(CC(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C1=CC=CC=C1[NH]2	3384.2	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,6TMS,isomer #12	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1NC(C(=O)O[Si](C)(C)C)CC2=C1N([Si](C)(C)C)C1=CC=CC=C21	3286.3	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,6TMS,isomer #13	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C)C1=CC=CC=C1N2[Si](C)(C)C	3448.9	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,6TMS,isomer #14	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O)C1C2=C(CC(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C1=CC=CC=C1N2[Si](C)(C)C	3442.3	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,6TMS,isomer #15	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O)C(O[Si](C)(C)C)C1C2=C(CC(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C1=CC=CC=C1N2[Si](C)(C)C	3427.4	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,6TMS,isomer #16	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1C2=C(CC(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C1=CC=CC=C1[NH]2	3369.4	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,6TMS,isomer #17	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1NC(C(=O)O[Si](C)(C)C)CC2=C1N([Si](C)(C)C)C1=CC=CC=C21	3277.1	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,6TMS,isomer #18	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C)C1=CC=CC=C1N2[Si](C)(C)C	3438.1	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,6TMS,isomer #19	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1C2=C(CC(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C1=CC=CC=C1N2[Si](C)(C)C	3429.3	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,6TMS,isomer #2	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C)C1=CC=CC=C1[NH]2	3418.4	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,6TMS,isomer #20	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1C2=C(CC(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C1=CC=CC=C1N2[Si](C)(C)C	3422.8	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,6TMS,isomer #21	C[Si](C)(C)OCC(O)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1C2=C(CC(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C1=CC=CC=C1N2[Si](C)(C)C	3419.0	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,6TMS,isomer #22	C[Si](C)(C)OC(=O)C1CC2=C(C(C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C)N1)N([Si](C)(C)C)C1=CC=CC=C21	3290.5	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,6TMS,isomer #23	C[Si](C)(C)OC(=O)C1CC2=C([NH]C3=CC=CC=C23)C(C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C)N1[Si](C)(C)C	3388.8	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,6TMS,isomer #24	C[Si](C)(C)OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C)C1=CC=CC=C1N2[Si](C)(C)C	3448.0	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,6TMS,isomer #25	C[Si](C)(C)OC(=O)C1CC2=C(C(C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C)N1[Si](C)(C)C)N([Si](C)(C)C)C1=CC=CC=C21	3422.5	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,6TMS,isomer #26	C[Si](C)(C)OC(=O)C1CC2=C(C(C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C)N1[Si](C)(C)C)N([Si](C)(C)C)C1=CC=CC=C21	3412.7	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,6TMS,isomer #27	C[Si](C)(C)OC(=O)C1CC2=C(C(C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(CO)O[Si](C)(C)C)N1[Si](C)(C)C)N([Si](C)(C)C)C1=CC=CC=C21	3414.0	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,6TMS,isomer #28	C[Si](C)(C)OC(=O)C1CC2=C(C(C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)CO)N1[Si](C)(C)C)N([Si](C)(C)C)C1=CC=CC=C21	3401.2	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,6TMS,isomer #3	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1NC(C(=O)O)CC2=C1N([Si](C)(C)C)C1=CC=CC=C21	3321.8	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,6TMS,isomer #4	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1C2=C(CC(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C1=CC=CC=C1[NH]2	3390.8	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,6TMS,isomer #5	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1NC(C(=O)O[Si](C)(C)C)CC2=C1N([Si](C)(C)C)C1=CC=CC=C21	3285.7	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,6TMS,isomer #6	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C)C1=CC=CC=C1N2[Si](C)(C)C	3460.8	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,6TMS,isomer #7	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1C2=C(CC(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C1=CC=CC=C1[NH]2	3395.8	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,6TMS,isomer #8	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1NC(C(=O)O[Si](C)(C)C)CC2=C1N([Si](C)(C)C)C1=CC=CC=C21	3303.4	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,6TMS,isomer #9	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C)C1=CC=CC=C1N2[Si](C)(C)C	3454.7	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,7TMS,isomer #1	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1C2=C(CC(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C1=CC=CC=C1[NH]2	3352.5	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,7TMS,isomer #1	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1C2=C(CC(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C1=CC=CC=C1[NH]2	3386.4	Standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,7TMS,isomer #1	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1C2=C(CC(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C1=CC=CC=C1[NH]2	3660.1	Standard polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,7TMS,isomer #2	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1NC(C(=O)O[Si](C)(C)C)CC2=C1N([Si](C)(C)C)C1=CC=CC=C21	3276.2	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,7TMS,isomer #2	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1NC(C(=O)O[Si](C)(C)C)CC2=C1N([Si](C)(C)C)C1=CC=CC=C21	3328.0	Standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,7TMS,isomer #2	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1NC(C(=O)O[Si](C)(C)C)CC2=C1N([Si](C)(C)C)C1=CC=CC=C21	3594.0	Standard polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,7TMS,isomer #3	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C)C1=CC=CC=C1N2[Si](C)(C)C	3439.8	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,7TMS,isomer #3	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C)C1=CC=CC=C1N2[Si](C)(C)C	3373.5	Standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,7TMS,isomer #3	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C)C1=CC=CC=C1N2[Si](C)(C)C	3692.7	Standard polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,7TMS,isomer #4	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1C2=C(CC(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C1=CC=CC=C1N2[Si](C)(C)C	3412.0	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,7TMS,isomer #4	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1C2=C(CC(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C1=CC=CC=C1N2[Si](C)(C)C	3364.9	Standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,7TMS,isomer #4	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1C2=C(CC(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C1=CC=CC=C1N2[Si](C)(C)C	3663.2	Standard polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,7TMS,isomer #5	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1C2=C(CC(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C1=CC=CC=C1N2[Si](C)(C)C	3398.7	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,7TMS,isomer #5	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1C2=C(CC(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C1=CC=CC=C1N2[Si](C)(C)C	3376.3	Standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,7TMS,isomer #5	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1C2=C(CC(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C1=CC=CC=C1N2[Si](C)(C)C	3653.6	Standard polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,7TMS,isomer #6	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1C2=C(CC(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C1=CC=CC=C1N2[Si](C)(C)C	3393.4	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,7TMS,isomer #6	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1C2=C(CC(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C1=CC=CC=C1N2[Si](C)(C)C	3382.7	Standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,7TMS,isomer #6	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1C2=C(CC(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C1=CC=CC=C1N2[Si](C)(C)C	3660.4	Standard polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,7TMS,isomer #7	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1C2=C(CC(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C1=CC=CC=C1N2[Si](C)(C)C	3382.1	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,7TMS,isomer #7	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1C2=C(CC(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C1=CC=CC=C1N2[Si](C)(C)C	3381.9	Standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,7TMS,isomer #7	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1C2=C(CC(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C1=CC=CC=C1N2[Si](C)(C)C	3638.4	Standard polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,7TMS,isomer #8	C[Si](C)(C)OC(=O)C1CC2=C(C(C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C)N1[Si](C)(C)C)N([Si](C)(C)C)C1=CC=CC=C21	3382.5	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,7TMS,isomer #8	C[Si](C)(C)OC(=O)C1CC2=C(C(C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C)N1[Si](C)(C)C)N([Si](C)(C)C)C1=CC=CC=C21	3369.8	Standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,7TMS,isomer #8	C[Si](C)(C)OC(=O)C1CC2=C(C(C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C)N1[Si](C)(C)C)N([Si](C)(C)C)C1=CC=CC=C21	3630.7	Standard polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC(O)C(O)C(O)C(O)C1NC(C(=O)O)CC2=C1[NH]C1=CC=CC=C21	3961.0	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(CO)C(O)C(O)C(O)C1NC(C(=O)O)CC2=C1[NH]C1=CC=CC=C21	3971.5	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(C(O)CO)C(O)C(O)C1NC(C(=O)O)CC2=C1[NH]C1=CC=CC=C21	3964.0	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(C(O)C(O)CO)C(O)C1NC(C(=O)O)CC2=C1[NH]C1=CC=CC=C21	3939.0	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(C1NC(C(=O)O)CC2=C1[NH]C1=CC=CC=C21)C(O)C(O)C(O)CO	3897.6	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)C1CC2=C([NH]C3=CC=CC=C23)C(C(O)C(O)C(O)C(O)CO)N1	3904.3	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N1C(C(=O)O)CC2=C([NH]C3=CC=CC=C23)C1C(O)C(O)C(O)C(O)CO	3942.9	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,1TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N1C2=C(CC(C(=O)O)NC2C(O)C(O)C(O)C(O)CO)C2=CC=CC=C21	3879.8	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(O)C1NC(C(=O)O)CC2=C1[NH]C1=CC=CC=C21	4133.7	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(CO)C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C1NC(C(=O)O)CC2=C1[NH]C1=CC=CC=C21	4086.9	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)C1CC2=C([NH]C3=CC=CC=C23)C(C(O)C(O)C(O)C(CO)O[Si](C)(C)C(C)(C)C)N1	4096.3	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(CO)C(O)C(O)C(O)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C(C)(C)C)C1=CC=CC=C1[NH]2	4134.4	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(CO)C(O)C(O)C(O)C1NC(C(=O)O)CC2=C1N([Si](C)(C)C(C)(C)C)C1=CC=CC=C21	4066.8	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(C(O)CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1NC(C(=O)O)CC2=C1[NH]C1=CC=CC=C21	4102.2	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(C(O)CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1NC(C(=O)O)CC2=C1[NH]C1=CC=CC=C21	4058.2	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC(=O)C1CC2=C([NH]C3=CC=CC=C23)C(C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)CO)N1	4086.8	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(C(O)CO)C(O)C(O)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C(C)(C)C)C1=CC=CC=C1[NH]2	4134.0	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC(C(O)CO)C(O)C(O)C1NC(C(=O)O)CC2=C1N([Si](C)(C)C(C)(C)C)C1=CC=CC=C21	4061.6	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC(C1NC(C(=O)O)CC2=C1[NH]C1=CC=CC=C21)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)CO	4036.9	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C1NC(C(=O)O)CC2=C1[NH]C1=CC=CC=C21	4133.8	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC(=O)C1CC2=C([NH]C3=CC=CC=C23)C(C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)CO)N1	4053.1	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC(C(O)C(O)CO)C(O)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C(C)(C)C)C1=CC=CC=C1[NH]2	4120.6	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,2TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC(C(O)C(O)CO)C(O)C1NC(C(=O)O)CC2=C1N([Si](C)(C)C(C)(C)C)C1=CC=CC=C21	4028.4	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,2TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC(=O)C1CC2=C([NH]C3=CC=CC=C23)C(C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(O)CO)N1	4031.4	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,2TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC(C(O)C(O)C(O)CO)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C(C)(C)C)C1=CC=CC=C1[NH]2	4102.4	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,2TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC(C1NC(C(=O)O)CC2=C1N([Si](C)(C)C(C)(C)C)C1=CC=CC=C21)C(O)C(O)C(O)CO	3982.0	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,2TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC(=O)C1CC2=C(C(C(O)C(O)C(O)C(O)CO)N1)N([Si](C)(C)C(C)(C)C)C1=CC=CC=C21	4016.0	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,2TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC(=O)C1CC2=C([NH]C3=CC=CC=C23)C(C(O)C(O)C(O)C(O)CO)N1[Si](C)(C)C(C)(C)C	4087.8	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,2TBDMS,isomer #28	CC(C)(C)[Si](C)(C)N1C(C(=O)O)CC2=C(C1C(O)C(O)C(O)C(O)CO)N([Si](C)(C)C(C)(C)C)C1=CC=CC=C21	4031.0	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C1NC(C(=O)O)CC2=C1[NH]C1=CC=CC=C21	4130.1	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC(O)C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C1NC(C(=O)O)CC2=C1[NH]C1=CC=CC=C21	4058.7	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC(O)C(O)C(O)C(O)C1NC(C(=O)O[Si](C)(C)C(C)(C)C)CC2=C1[NH]C1=CC=CC=C21	4076.6	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC(O)C(O)C(O)C(O)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C(C)(C)C)C1=CC=CC=C1[NH]2	4121.2	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OCC(O)C(O)C(O)C(O)C1NC(C(=O)O)CC2=C1N([Si](C)(C)C(C)(C)C)C1=CC=CC=C21	4045.6	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C1NC(C(=O)O)CC2=C1[NH]C1=CC=CC=C21	4134.0	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C1NC(C(=O)O)CC2=C1[NH]C1=CC=CC=C21	4126.6	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C1NC(C(=O)O)CC2=C1[NH]C1=CC=CC=C21	4254.3	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OCC(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C(C)(C)C)C1=CC=CC=C1[NH]2	4268.0	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OCC(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C1NC(C(=O)O)CC2=C1N([Si](C)(C)C(C)(C)C)C1=CC=CC=C21	4144.5	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OCC(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1NC(C(=O)O)CC2=C1[NH]C1=CC=CC=C21	4159.8	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OCC(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C1NC(C(=O)O[Si](C)(C)C(C)(C)C)CC2=C1[NH]C1=CC=CC=C21	4160.7	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OCC(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C(C)(C)C)C1=CC=CC=C1[NH]2	4280.5	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OCC(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C1NC(C(=O)O)CC2=C1N([Si](C)(C)C(C)(C)C)C1=CC=CC=C21	4141.0	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OCC(O)C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C1NC(C(=O)O[Si](C)(C)C(C)(C)C)CC2=C1[NH]C1=CC=CC=C21	4110.7	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OCC(O)C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C(C)(C)C)C1=CC=CC=C1[NH]2	4231.5	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OCC(O)C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C1NC(C(=O)O)CC2=C1N([Si](C)(C)C(C)(C)C)C1=CC=CC=C21	4088.6	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OCC(O)C(O)C(O)C(O)C1C2=C(CC(C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C1=CC=CC=C1[NH]2	4203.6	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C1NC(C(=O)O)CC2=C1[NH]C1=CC=CC=C21	4238.3	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OCC(O)C(O)C(O)C(O)C1NC(C(=O)O[Si](C)(C)C(C)(C)C)CC2=C1N([Si](C)(C)C(C)(C)C)C1=CC=CC=C21	4078.2	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OCC(O)C(O)C(O)C(O)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C(C)(C)C)C1=CC=CC=C1N2[Si](C)(C)C(C)(C)C	4164.1	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1NC(C(=O)O)CC2=C1[NH]C1=CC=CC=C21	4234.6	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1NC(C(=O)O)CC2=C1[NH]C1=CC=CC=C21	4179.4	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC(=O)C1CC2=C([NH]C3=CC=CC=C23)C(C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C)N1	4177.2	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C(C)(C)C)C1=CC=CC=C1[NH]2	4261.2	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C1NC(C(=O)O)CC2=C1N([Si](C)(C)C(C)(C)C)C1=CC=CC=C21	4145.8	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1NC(C(=O)O)CC2=C1[NH]C1=CC=CC=C21	4149.8	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC(=O)C1CC2=C([NH]C3=CC=CC=C23)C(C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(CO)O[Si](C)(C)C(C)(C)C)N1	4147.2	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C(C)(C)C)C1=CC=CC=C1[NH]2	4269.4	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C1NC(C(=O)O)CC2=C1[NH]C1=CC=CC=C21	4192.3	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C1NC(C(=O)O)CC2=C1N([Si](C)(C)C(C)(C)C)C1=CC=CC=C21	4126.4	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC(=O)C1CC2=C([NH]C3=CC=CC=C23)C(C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(CO)O[Si](C)(C)C(C)(C)C)N1	4133.4	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC(CO)C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C(C)(C)C)C1=CC=CC=C1[NH]2	4248.2	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC(CO)C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C1NC(C(=O)O)CC2=C1N([Si](C)(C)C(C)(C)C)C1=CC=CC=C21	4109.4	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC(=O)C1CC2=C(C(C(O)C(O)C(O)C(CO)O[Si](C)(C)C(C)(C)C)N1)N([Si](C)(C)C(C)(C)C)C1=CC=CC=C21	4096.5	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC(=O)C1CC2=C([NH]C3=CC=CC=C23)C(C(O)C(O)C(O)C(CO)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	4216.1	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OC(CO)C(O)C(O)C(O)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C(C)(C)C)C1=CC=CC=C1N2[Si](C)(C)C(C)(C)C	4179.1	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TBDMS,isomer #37	CC(C)(C)[Si](C)(C)OC(C(O)CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1NC(C(=O)O)CC2=C1[NH]C1=CC=CC=C21	4135.6	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TBDMS,isomer #38	CC(C)(C)[Si](C)(C)OC(=O)C1CC2=C([NH]C3=CC=CC=C23)C(C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)CO)N1	4144.1	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TBDMS,isomer #39	CC(C)(C)[Si](C)(C)OC(C(O)CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C(C)(C)C)C1=CC=CC=C1[NH]2	4261.5	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(O)C1NC(C(=O)O[Si](C)(C)C(C)(C)C)CC2=C1[NH]C1=CC=CC=C21	4170.6	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TBDMS,isomer #40	CC(C)(C)[Si](C)(C)OC(C(O)CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1NC(C(=O)O)CC2=C1N([Si](C)(C)C(C)(C)C)C1=CC=CC=C21	4127.3	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TBDMS,isomer #41	CC(C)(C)[Si](C)(C)OC(=O)C1CC2=C([NH]C3=CC=CC=C23)C(C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)CO)N1	4106.7	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TBDMS,isomer #41	CC(C)(C)[Si](C)(C)OC(=O)C1CC2=C([NH]C3=CC=CC=C23)C(C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)CO)N1	3696.2	Standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TBDMS,isomer #41	CC(C)(C)[Si](C)(C)OC(=O)C1CC2=C([NH]C3=CC=CC=C23)C(C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)CO)N1	4697.0	Standard polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TBDMS,isomer #42	CC(C)(C)[Si](C)(C)OC(C(O)CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C(C)(C)C)C1=CC=CC=C1[NH]2	4223.1	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TBDMS,isomer #43	CC(C)(C)[Si](C)(C)OC(C(O)CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1NC(C(=O)O)CC2=C1N([Si](C)(C)C(C)(C)C)C1=CC=CC=C21	4087.2	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TBDMS,isomer #44	CC(C)(C)[Si](C)(C)OC(=O)C1CC2=C(C(C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)CO)N1)N([Si](C)(C)C(C)(C)C)C1=CC=CC=C21	4102.5	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TBDMS,isomer #45	CC(C)(C)[Si](C)(C)OC(=O)C1CC2=C([NH]C3=CC=CC=C23)C(C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)CO)N1[Si](C)(C)C(C)(C)C	4214.4	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TBDMS,isomer #46	CC(C)(C)[Si](C)(C)OC(C(O)CO)C(O)C(O)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C(C)(C)C)C1=CC=CC=C1N2[Si](C)(C)C(C)(C)C	4186.9	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TBDMS,isomer #47	CC(C)(C)[Si](C)(C)OC(=O)C1CC2=C([NH]C3=CC=CC=C23)C(C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)CO)N1	4087.8	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TBDMS,isomer #48	CC(C)(C)[Si](C)(C)OC(C(O)C(O)CO)C(O[Si](C)(C)C(C)(C)C)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C(C)(C)C)C1=CC=CC=C1[NH]2	4218.0	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TBDMS,isomer #49	CC(C)(C)[Si](C)(C)OC(C1NC(C(=O)O)CC2=C1N([Si](C)(C)C(C)(C)C)C1=CC=CC=C21)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)CO	4070.0	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(O)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C(C)(C)C)C1=CC=CC=C1[NH]2	4263.2	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TBDMS,isomer #50	CC(C)(C)[Si](C)(C)OC(=O)C1CC2=C(C(C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)CO)N1)N([Si](C)(C)C(C)(C)C)C1=CC=CC=C21	4065.2	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TBDMS,isomer #51	CC(C)(C)[Si](C)(C)OC(=O)C1CC2=C([NH]C3=CC=CC=C23)C(C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)CO)N1[Si](C)(C)C(C)(C)C	4211.9	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TBDMS,isomer #52	CC(C)(C)[Si](C)(C)OC(C(O)C(O)CO)C(O)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C(C)(C)C)C1=CC=CC=C1N2[Si](C)(C)C(C)(C)C	4190.5	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TBDMS,isomer #53	CC(C)(C)[Si](C)(C)OC(=O)C1CC2=C(C(C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(O)CO)N1)N([Si](C)(C)C(C)(C)C)C1=CC=CC=C21	4057.4	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TBDMS,isomer #54	CC(C)(C)[Si](C)(C)OC(=O)C1CC2=C([NH]C3=CC=CC=C23)C(C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(O)CO)N1[Si](C)(C)C(C)(C)C	4186.3	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TBDMS,isomer #55	CC(C)(C)[Si](C)(C)OC(C(O)C(O)C(O)CO)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C(C)(C)C)C1=CC=CC=C1N2[Si](C)(C)C(C)(C)C	4182.3	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TBDMS,isomer #56	CC(C)(C)[Si](C)(C)OC(=O)C1CC2=C(C(C(O)C(O)C(O)C(O)CO)N1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C1=CC=CC=C21	4151.5	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(O)C1NC(C(=O)O)CC2=C1N([Si](C)(C)C(C)(C)C)C1=CC=CC=C21	4151.2	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OCC(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1NC(C(=O)O)CC2=C1[NH]C1=CC=CC=C21	4231.8	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OCC(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1NC(C(=O)O)CC2=C1[NH]C1=CC=CC=C21	4179.7	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OCC(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C1NC(C(=O)O[Si](C)(C)C(C)(C)C)CC2=C1[NH]C1=CC=CC=C21	4165.5	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1NC(C(=O)O)CC2=C1[NH]C1=CC=CC=C21	4284.8	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C1NC(C(=O)O[Si](C)(C)C(C)(C)C)CC2=C1[NH]C1=CC=CC=C21	4218.0	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C(C)(C)C)C1=CC=CC=C1[NH]2	4319.8	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C1NC(C(=O)O)CC2=C1N([Si](C)(C)C(C)(C)C)C1=CC=CC=C21	4161.9	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(O)C1C2=C(CC(C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C1=CC=CC=C1[NH]2	4287.5	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(O)C1NC(C(=O)O[Si](C)(C)C(C)(C)C)CC2=C1N([Si](C)(C)C(C)(C)C)C1=CC=CC=C21	4122.8	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(O)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C(C)(C)C)C1=CC=CC=C1N2[Si](C)(C)C(C)(C)C	4279.3	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OCC(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1NC(C(=O)O)CC2=C1[NH]C1=CC=CC=C21	4237.5	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OCC(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1NC(C(=O)O[Si](C)(C)C(C)(C)C)CC2=C1[NH]C1=CC=CC=C21	4220.8	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OCC(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C(C)(C)C)C1=CC=CC=C1[NH]2	4349.4	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OCC(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1NC(C(=O)O)CC2=C1N([Si](C)(C)C(C)(C)C)C1=CC=CC=C21	4183.4	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1NC(C(=O)O)CC2=C1[NH]C1=CC=CC=C21	4267.8	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OCC(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1NC(C(=O)O[Si](C)(C)C(C)(C)C)CC2=C1[NH]C1=CC=CC=C21	4210.6	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OCC(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C(C)(C)C)C1=CC=CC=C1[NH]2	4324.4	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OCC(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1NC(C(=O)O)CC2=C1N([Si](C)(C)C(C)(C)C)C1=CC=CC=C21	4163.5	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OCC(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C1C2=C(CC(C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C1=CC=CC=C1[NH]2	4297.9	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OCC(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C1NC(C(=O)O[Si](C)(C)C(C)(C)C)CC2=C1N([Si](C)(C)C(C)(C)C)C1=CC=CC=C21	4119.9	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OCC(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C(C)(C)C)C1=CC=CC=C1N2[Si](C)(C)C(C)(C)C	4277.8	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OCC(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1NC(C(=O)O[Si](C)(C)C(C)(C)C)CC2=C1[NH]C1=CC=CC=C21	4195.8	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OCC(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C(C)(C)C)C1=CC=CC=C1[NH]2	4309.8	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OCC(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1NC(C(=O)O)CC2=C1N([Si](C)(C)C(C)(C)C)C1=CC=CC=C21	4150.5	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OCC(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C1C2=C(CC(C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C1=CC=CC=C1[NH]2	4309.0	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C1NC(C(=O)O[Si](C)(C)C(C)(C)C)CC2=C1[NH]C1=CC=CC=C21	4251.1	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OCC(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C1NC(C(=O)O[Si](C)(C)C(C)(C)C)CC2=C1N([Si](C)(C)C(C)(C)C)C1=CC=CC=C21	4123.4	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OCC(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C(C)(C)C)C1=CC=CC=C1N2[Si](C)(C)C(C)(C)C	4300.2	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OCC(O)C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C1C2=C(CC(C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C1=CC=CC=C1[NH]2	4265.6	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OCC(O)C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C1NC(C(=O)O[Si](C)(C)C(C)(C)C)CC2=C1N([Si](C)(C)C(C)(C)C)C1=CC=CC=C21	4102.2	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OCC(O)C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C(C)(C)C)C1=CC=CC=C1N2[Si](C)(C)C(C)(C)C	4276.6	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OCC(O)C(O)C(O)C(O)C1C2=C(CC(C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C1=CC=CC=C1N2[Si](C)(C)C(C)(C)C	4225.5	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1NC(C(=O)O)CC2=C1[NH]C1=CC=CC=C21	4226.2	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TBDMS,isomer #37	CC(C)(C)[Si](C)(C)OC(=O)C1CC2=C([NH]C3=CC=CC=C23)C(C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C)N1	4227.6	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TBDMS,isomer #38	CC(C)(C)[Si](C)(C)OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C(C)(C)C)C1=CC=CC=C1[NH]2	4341.7	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TBDMS,isomer #39	CC(C)(C)[Si](C)(C)OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1NC(C(=O)O)CC2=C1N([Si](C)(C)C(C)(C)C)C1=CC=CC=C21	4178.9	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C(C)(C)C)C1=CC=CC=C1[NH]2	4342.8	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TBDMS,isomer #40	CC(C)(C)[Si](C)(C)OC(=O)C1CC2=C([NH]C3=CC=CC=C23)C(C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C)N1	4215.6	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TBDMS,isomer #41	CC(C)(C)[Si](C)(C)OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C(C)(C)C)C1=CC=CC=C1[NH]2	4315.8	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TBDMS,isomer #42	CC(C)(C)[Si](C)(C)OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1NC(C(=O)O)CC2=C1N([Si](C)(C)C(C)(C)C)C1=CC=CC=C21	4162.7	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TBDMS,isomer #43	CC(C)(C)[Si](C)(C)OC(=O)C1CC2=C(C(C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C)N1)N([Si](C)(C)C(C)(C)C)C1=CC=CC=C21	4126.3	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TBDMS,isomer #44	CC(C)(C)[Si](C)(C)OC(=O)C1CC2=C([NH]C3=CC=CC=C23)C(C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	4285.5	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TBDMS,isomer #45	CC(C)(C)[Si](C)(C)OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C(C)(C)C)C1=CC=CC=C1N2[Si](C)(C)C(C)(C)C	4274.5	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TBDMS,isomer #46	CC(C)(C)[Si](C)(C)OC(=O)C1CC2=C([NH]C3=CC=CC=C23)C(C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(CO)O[Si](C)(C)C(C)(C)C)N1	4194.0	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TBDMS,isomer #47	CC(C)(C)[Si](C)(C)OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C(C)(C)C)C1=CC=CC=C1[NH]2	4315.0	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TBDMS,isomer #48	CC(C)(C)[Si](C)(C)OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1NC(C(=O)O)CC2=C1N([Si](C)(C)C(C)(C)C)C1=CC=CC=C21	4147.9	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TBDMS,isomer #49	CC(C)(C)[Si](C)(C)OC(=O)C1CC2=C(C(C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(CO)O[Si](C)(C)C(C)(C)C)N1)N([Si](C)(C)C(C)(C)C)C1=CC=CC=C21	4123.7	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C1NC(C(=O)O)CC2=C1N([Si](C)(C)C(C)(C)C)C1=CC=CC=C21	4190.8	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TBDMS,isomer #50	CC(C)(C)[Si](C)(C)OC(=O)C1CC2=C([NH]C3=CC=CC=C23)C(C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(CO)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	4307.3	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TBDMS,isomer #51	CC(C)(C)[Si](C)(C)OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C(C)(C)C)C1=CC=CC=C1N2[Si](C)(C)C(C)(C)C	4292.0	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TBDMS,isomer #52	CC(C)(C)[Si](C)(C)OC(=O)C1CC2=C(C(C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(CO)O[Si](C)(C)C(C)(C)C)N1)N([Si](C)(C)C(C)(C)C)C1=CC=CC=C21	4126.6	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TBDMS,isomer #53	CC(C)(C)[Si](C)(C)OC(=O)C1CC2=C([NH]C3=CC=CC=C23)C(C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(CO)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	4285.9	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TBDMS,isomer #54	CC(C)(C)[Si](C)(C)OC(CO)C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C(C)(C)C)C1=CC=CC=C1N2[Si](C)(C)C(C)(C)C	4293.7	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TBDMS,isomer #55	CC(C)(C)[Si](C)(C)OC(=O)C1CC2=C(C(C(O)C(O)C(O)C(CO)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C1=CC=CC=C21	4236.7	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TBDMS,isomer #56	CC(C)(C)[Si](C)(C)OC(=O)C1CC2=C([NH]C3=CC=CC=C23)C(C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)CO)N1	4185.9	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TBDMS,isomer #56	CC(C)(C)[Si](C)(C)OC(=O)C1CC2=C([NH]C3=CC=CC=C23)C(C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)CO)N1	3896.6	Standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TBDMS,isomer #56	CC(C)(C)[Si](C)(C)OC(=O)C1CC2=C([NH]C3=CC=CC=C23)C(C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)CO)N1	4499.4	Standard polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TBDMS,isomer #57	CC(C)(C)[Si](C)(C)OC(C(O)CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C(C)(C)C)C1=CC=CC=C1[NH]2	4294.7	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TBDMS,isomer #58	CC(C)(C)[Si](C)(C)OC(C(O)CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1NC(C(=O)O)CC2=C1N([Si](C)(C)C(C)(C)C)C1=CC=CC=C21	4143.1	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TBDMS,isomer #59	CC(C)(C)[Si](C)(C)OC(=O)C1CC2=C(C(C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)CO)N1)N([Si](C)(C)C(C)(C)C)C1=CC=CC=C21	4117.0	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1NC(C(=O)O)CC2=C1[NH]C1=CC=CC=C21	4243.8	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TBDMS,isomer #60	CC(C)(C)[Si](C)(C)OC(=O)C1CC2=C([NH]C3=CC=CC=C23)C(C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)CO)N1[Si](C)(C)C(C)(C)C	4291.3	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TBDMS,isomer #61	CC(C)(C)[Si](C)(C)OC(C(O)CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C(C)(C)C)C1=CC=CC=C1N2[Si](C)(C)C(C)(C)C	4279.9	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TBDMS,isomer #62	CC(C)(C)[Si](C)(C)OC(=O)C1CC2=C(C(C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)CO)N1)N([Si](C)(C)C(C)(C)C)C1=CC=CC=C21	4105.5	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TBDMS,isomer #63	CC(C)(C)[Si](C)(C)OC(=O)C1CC2=C([NH]C3=CC=CC=C23)C(C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)CO)N1[Si](C)(C)C(C)(C)C	4261.2	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TBDMS,isomer #64	CC(C)(C)[Si](C)(C)OC(C(O)CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C(C)(C)C)C1=CC=CC=C1N2[Si](C)(C)C(C)(C)C	4265.7	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TBDMS,isomer #65	CC(C)(C)[Si](C)(C)OC(=O)C1CC2=C(C(C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)CO)N1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C1=CC=CC=C21	4232.4	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TBDMS,isomer #66	CC(C)(C)[Si](C)(C)OC(=O)C1CC2=C(C(C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)CO)N1)N([Si](C)(C)C(C)(C)C)C1=CC=CC=C21	4084.8	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TBDMS,isomer #67	CC(C)(C)[Si](C)(C)OC(=O)C1CC2=C([NH]C3=CC=CC=C23)C(C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)CO)N1[Si](C)(C)C(C)(C)C	4250.8	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TBDMS,isomer #68	CC(C)(C)[Si](C)(C)OC(C(O)C(O)CO)C(O[Si](C)(C)C(C)(C)C)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C(C)(C)C)C1=CC=CC=C1N2[Si](C)(C)C(C)(C)C	4266.6	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TBDMS,isomer #69	CC(C)(C)[Si](C)(C)OC(=O)C1CC2=C(C(C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)CO)N1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C1=CC=CC=C21	4231.8	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C1NC(C(=O)O[Si](C)(C)C(C)(C)C)CC2=C1[NH]C1=CC=CC=C21	4238.7	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TBDMS,isomer #70	CC(C)(C)[Si](C)(C)OC(=O)C1CC2=C(C(C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(O)CO)N1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C1=CC=CC=C21	4231.8	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C1C2=C(CC(C(=O)O)N1[Si](C)(C)C(C)(C)C)C1=CC=CC=C1[NH]2	4357.8	Semi standard non polar	33892256
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C1NC(C(=O)O)CC2=C1N([Si](C)(C)C(C)(C)C)C1=CC=CC=C21	4192.2	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - 1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate GC-MS (Non-derivatized) - 70eV, Positive	splash10-07bb-9086000000-f9817373dcbb48a00ead	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate GC-MS (4 TMS) - 70eV, Positive	splash10-066r-1092238000-8a73a9d7c71faf707742	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate 10V, Positive-QTOF	splash10-014j-2019000000-f66e1f938b58a2d0ba87	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate 20V, Positive-QTOF	splash10-03di-9453000000-e1c15a39669221325154	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate 40V, Positive-QTOF	splash10-014i-9820000000-4592a1a9ad5f5701322f	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate 10V, Negative-QTOF	splash10-0q4u-7098000000-cf33a70ee23840fab676	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate 20V, Negative-QTOF	splash10-0abl-8191000000-35b3333d76ce8a3c796c	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate 40V, Negative-QTOF	splash10-0a4l-9030000000-f91a3596176e7837fc7f	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate 10V, Negative-QTOF	splash10-0002-0396000000-d827a244ffe0a2c0c6fa	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate 20V, Negative-QTOF	splash10-00kb-0290000000-97bec0f48574a53ed071	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate 40V, Negative-QTOF	splash10-0fr2-0690000000-7c1bfbeb116d5b8be2c9	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate 10V, Positive-QTOF	splash10-00kb-0019000000-9f6a5ad048923d81db75	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate 20V, Positive-QTOF	splash10-015a-0039000000-ec40574589c9a65187f8	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate 40V, Positive-QTOF	splash10-0fr7-1950000000-243db3326d0d83bf067d	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate 10V, Negative-QTOF	splash10-00os-0095000000-434183b2caa2a5fc0e2e	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate 20V, Negative-QTOF	splash10-002b-0290000000-cd470a35408a3c672cb4	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate 40V, Negative-QTOF	splash10-00kb-0790000000-268f41ef52f47148a6ab	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate 10V, Positive-QTOF	splash10-00l2-0019000000-bcc589f4c881eb9d4a53	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate 20V, Positive-QTOF	splash10-015a-0029000000-56506c109d6f5437d8fe	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate 40V, Positive-QTOF	splash10-0un9-2790000000-3d689c092b66a1e858f9	2021-09-24	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB001280

KNApSAcK ID

Not Available

Chemspider ID

19993304

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

21125948

PDB ID

Not Available

ChEBI ID

169367

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Herraiz T, Galisteo J: Identification and occurrence of the novel alkaloid pentahydroxypentyl-tetrahydro-beta-carboline-3-carboxylic acid as a tryptophan glycoconjugate in fruit juices and jams. J Agric Food Chem. 2002 Jul 31;50(16):4690-5. [PubMed:12137498 ]

Showing metabocard for 1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate (HMDB0012492)

MOL for HMDB0012492 (1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate)

3D MOL for HMDB0012492 (1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate)

3D SDF for HMDB0012492 (1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate)

3D-SDF for HMDB0012492 (1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate)

PDB for HMDB0012492 (1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate)

3D PDB for HMDB0012492 (1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate)

SMILES for HMDB0012492 (1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate)

INCHI for HMDB0012492 (1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate)

Structure for HMDB0012492 (1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate)

3D Structure for HMDB0012492 (1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra