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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-12 02:48:16 UTC

Update Date

2022-03-07 02:56:54 UTC

HMDB ID

HMDB0041150

Secondary Accession Numbers

HMDB41150

Metabolite Identification

Common Name

7-Hydroxyaloin B

Description

7-Hydroxyaloin B belongs to the class of organic compounds known as anthracenes. These are organic compounds containing a system of three linearly fused benzene rings. Based on a literature review very few articles have been published on 7-Hydroxyaloin B.

Structure

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

  Mrv0541 05061312252D          

 31 34  0  0  0  0            999 V2000
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  7  3  2  0  0  0  0
  7  4  1  0  0  0  0
  7  5  1  0  0  0  0
  8  1  1  0  0  0  0
  9  3  1  0  0  0  0
 10  2  1  0  0  0  0
 11  4  2  0  0  0  0
 12  6  1  0  0  0  0
 13  8  1  0  0  0  0
 13  9  1  0  0  0  0
 14  9  2  0  0  0  0
 14 11  1  0  0  0  0
 15  8  2  0  0  0  0
 16 10  2  0  0  0  0
 16 15  1  0  0  0  0
 17 12  1  0  0  0  0
 18 14  1  0  0  0  0
 18 15  1  0  0  0  0
 19 17  1  0  0  0  0
 20 19  1  0  0  0  0
 21 13  1  0  0  0  0
 21 20  1  0  0  0  0
 22  5  1  0  0  0  0
 23  6  1  0  0  0  0
 24 10  1  0  0  0  0
 25 11  1  0  0  0  0
 26 16  1  0  0  0  0
 27 17  1  0  0  0  0
 28 18  2  0  0  0  0
 29 19  1  0  0  0  0
 30 20  1  0  0  0  0
 31 12  1  0  0  0  0
 31 21  1  0  0  0  0
M  END

HMDB0041150
     RDKit          3D
7-Hydroxyaloin B
 53 56  0  0  0  0  0  0  0  0999 V2000
   -3.6328    1.6753   -1.5148 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6865    1.3323   -0.7730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4477   -0.0649   -0.4132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3355   -1.0363   -0.8930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3672   -0.5872   -1.7122 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1945   -2.3718   -0.5701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1520   -2.7520    0.2455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0113   -4.1876    0.5858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6959   -4.5425    1.7283 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2834   -1.7865    0.7118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4093   -0.4523    0.3990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4456    0.5247    0.8944 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9619    0.2605    0.4133 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4438   -0.9885    0.8082 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8324   -0.9175    0.7693 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4897   -2.0349    1.5263 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1777   -3.2916    1.0588 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2718   -0.8618   -0.6711 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6396   -0.6845   -0.7788 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5824    0.2380   -1.3981 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2070    1.4770   -1.2271 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1051    0.3421   -1.0780 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3577   -0.5922   -1.7627 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7802    1.9439    0.5475 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0935    2.8668    1.1198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0648    4.2121    0.8763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0941    4.6117    0.0652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3213    5.9669   -0.2320 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9825    3.6924   -0.5171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9938    4.1606   -1.3210 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7922    2.3529   -0.2492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0478   -1.2093   -2.1003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9050   -3.1027   -0.9618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9485   -4.4781    0.6975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4054   -4.7774   -0.2655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5115   -4.0179    1.8823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4808   -2.1609    1.3562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4119    0.4836    1.9978 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6300    1.0197    0.8522 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1222    0.0317    1.2663 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1460   -1.9348    2.5954 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5889   -1.9411    1.5673 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7766   -3.9340    1.5143 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0197   -1.8216   -1.1803 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9052   -0.0069   -1.4330 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6740    0.0165   -2.5006 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8107    1.4911   -0.4475 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7873    1.3589   -1.3861 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6509   -1.5150   -1.5372 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9089    2.5986    1.7704 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6124    4.9546    1.3169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6817    6.6262    0.1874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7123    3.8136   -1.8297 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  7 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 15 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 12 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
 29 31  2  0
 31  2  1  0
 11  3  1  0
 22 13  1  0
 31 24  1  0
  5 32  1  0
  6 33  1  0
  8 34  1  0
  8 35  1  0
  9 36  1  0
 10 37  1  0
 12 38  1  0
 13 39  1  0
 15 40  1  0
 16 41  1  0
 16 42  1  0
 17 43  1  0
 18 44  1  0
 19 45  1  0
 20 46  1  0
 21 47  1  0
 22 48  1  0
 23 49  1  0
 25 50  1  0
 26 51  1  0
 28 52  1  0
 30 53  1  0
M  END

  Mrv0541 05061312252D          

 31 34  0  0  0  0            999 V2000
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  7  3  2  0  0  0  0
  7  4  1  0  0  0  0
  7  5  1  0  0  0  0
  8  1  1  0  0  0  0
  9  3  1  0  0  0  0
 10  2  1  0  0  0  0
 11  4  2  0  0  0  0
 12  6  1  0  0  0  0
 13  8  1  0  0  0  0
 13  9  1  0  0  0  0
 14  9  2  0  0  0  0
 14 11  1  0  0  0  0
 15  8  2  0  0  0  0
 16 10  2  0  0  0  0
 16 15  1  0  0  0  0
 17 12  1  0  0  0  0
 18 14  1  0  0  0  0
 18 15  1  0  0  0  0
 19 17  1  0  0  0  0
 20 19  1  0  0  0  0
 21 13  1  0  0  0  0
 21 20  1  0  0  0  0
 22  5  1  0  0  0  0
 23  6  1  0  0  0  0
 24 10  1  0  0  0  0
 25 11  1  0  0  0  0
 26 16  1  0  0  0  0
 27 17  1  0  0  0  0
 28 18  2  0  0  0  0
 29 19  1  0  0  0  0
 30 20  1  0  0  0  0
 31 12  1  0  0  0  0
 31 21  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0041150

> <DATABASE_NAME>
hmdb

> <SMILES>
OCC1OC(C(O)C(O)C1O)C1C2=C(C(O)=C(O)C=C2)C(=O)C2=C1C=C(CO)C=C2O

> <INCHI_IDENTIFIER>
InChI=1S/C21H22O10/c22-5-7-3-9-13(21-20(30)19(29)17(27)12(6-23)31-21)8-1-2-10(24)16(26)15(8)18(28)14(9)11(25)4-7/h1-4,12-13,17,19-27,29-30H,5-6H2

> <INCHI_KEY>
HKKOALUTOMGGMT-UHFFFAOYSA-N

> <FORMULA>
C21H22O10

> <MOLECULAR_WEIGHT>
434.3934

> <EXACT_MASS>
434.121296924

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_AVERAGE_POLARIZABILITY>
41.830636831424975

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
1,2,8-trihydroxy-6-(hydroxymethyl)-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-9,10-dihydroanthracen-9-one

> <ALOGPS_LOGP>
-0.60

> <JCHEM_LOGP>
0.1114244039999996

> <ALOGPS_LOGS>
-2.07

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.839320093734385

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.018781682311785

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9788514346120696

> <JCHEM_POLAR_SURFACE_AREA>
188.14

> <JCHEM_REFRACTIVITY>
105.77399999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.72e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1,2,8-trihydroxy-6-(hydroxymethyl)-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-10H-anthracen-9-one

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0041150
     RDKit          3D
7-Hydroxyaloin B
 53 56  0  0  0  0  0  0  0  0999 V2000
   -3.6328    1.6753   -1.5148 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6865    1.3323   -0.7730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4477   -0.0649   -0.4132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3355   -1.0363   -0.8930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3672   -0.5872   -1.7122 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1945   -2.3718   -0.5701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1520   -2.7520    0.2455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0113   -4.1876    0.5858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6959   -4.5425    1.7283 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2834   -1.7865    0.7118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4093   -0.4523    0.3990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4456    0.5247    0.8944 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9619    0.2605    0.4133 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4438   -0.9885    0.8082 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8324   -0.9175    0.7693 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4897   -2.0349    1.5263 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1777   -3.2916    1.0588 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2718   -0.8618   -0.6711 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6396   -0.6845   -0.7788 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5824    0.2380   -1.3981 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2070    1.4770   -1.2271 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1051    0.3421   -1.0780 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3577   -0.5922   -1.7627 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7802    1.9439    0.5475 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0935    2.8668    1.1198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0648    4.2121    0.8763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0941    4.6117    0.0652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3213    5.9669   -0.2320 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9825    3.6924   -0.5171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9938    4.1606   -1.3210 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7922    2.3529   -0.2492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0478   -1.2093   -2.1003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9050   -3.1027   -0.9618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9485   -4.4781    0.6975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4054   -4.7774   -0.2655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5115   -4.0179    1.8823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4808   -2.1609    1.3562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4119    0.4836    1.9978 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6300    1.0197    0.8522 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1222    0.0317    1.2663 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1460   -1.9348    2.5954 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5889   -1.9411    1.5673 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7766   -3.9340    1.5143 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0197   -1.8216   -1.1803 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9052   -0.0069   -1.4330 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6740    0.0165   -2.5006 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8107    1.4911   -0.4475 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7873    1.3589   -1.3861 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6509   -1.5150   -1.5372 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9089    2.5986    1.7704 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6124    4.9546    1.3169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6817    6.6262    0.1874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7123    3.8136   -1.8297 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  7 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 15 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 12 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
 29 31  2  0
 31  2  1  0
 11  3  1  0
 22 13  1  0
 31 24  1  0
  5 32  1  0
  6 33  1  0
  8 34  1  0
  8 35  1  0
  9 36  1  0
 10 37  1  0
 12 38  1  0
 13 39  1  0
 15 40  1  0
 16 41  1  0
 16 42  1  0
 17 43  1  0
 18 44  1  0
 19 45  1  0
 20 46  1  0
 21 47  1  0
 22 48  1  0
 23 49  1  0
 25 50  1  0
 26 51  1  0
 28 52  1  0
 30 53  1  0
M  END

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -2.667   0.000   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.334  -5.390   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -2.667   1.540   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       4.001   2.310   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       0.000  -4.620   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -1.334   2.310   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       1.334  -5.390   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       2.667  -4.620   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       8.002   0.000   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      -1.334  -6.930   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0      -4.001   2.310   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0       4.001   3.850   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0      -1.334   3.850   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0       1.334  -6.930   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0       1.334   3.850   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       4.001  -5.390   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0       4.001  -2.310   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0       0.000  -3.080   0.000  0.00  0.00           O+0
CONECT    1    2    8                                                       
CONECT    2    1   10                                                       
CONECT    3    7    9                                                       
CONECT    4    7   11                                                       
CONECT    5    7   22                                                       
CONECT    6   12   23                                                       
CONECT    7    3    4    5                                                  
CONECT    8    1   13   15                                                  
CONECT    9    3   13   14                                                  
CONECT   10    2   16   24                                                  
CONECT   11    4   14   25                                                  
CONECT   12    6   17   31                                                  
CONECT   13    8    9   21                                                  
CONECT   14    9   11   18                                                  
CONECT   15    8   16   18                                                  
CONECT   16   10   15   26                                                  
CONECT   17   12   19   27                                                  
CONECT   18   14   15   28                                                  
CONECT   19   17   20   29                                                  
CONECT   20   19   21   30                                                  
CONECT   21   13   20   31                                                  
CONECT   22    5                                                            
CONECT   23    6                                                            
CONECT   24   10                                                            
CONECT   25   11                                                            
CONECT   26   16                                                            
CONECT   27   17                                                            
CONECT   28   18                                                            
CONECT   29   19                                                            
CONECT   30   20                                                            
CONECT   31   12   21                                                       
MASTER        0    0    0    0    0    0    0    0   31    0   68    0
END

COMPND    HMDB0041150
HETATM    1  O1  UNL     1      -3.633   1.675  -1.515  1.00  0.00           O  
HETATM    2  C1  UNL     1      -2.687   1.332  -0.773  1.00  0.00           C  
HETATM    3  C2  UNL     1      -2.448  -0.065  -0.413  1.00  0.00           C  
HETATM    4  C3  UNL     1      -3.335  -1.036  -0.893  1.00  0.00           C  
HETATM    5  O2  UNL     1      -4.367  -0.587  -1.712  1.00  0.00           O  
HETATM    6  C4  UNL     1      -3.195  -2.372  -0.570  1.00  0.00           C  
HETATM    7  C5  UNL     1      -2.152  -2.752   0.245  1.00  0.00           C  
HETATM    8  C6  UNL     1      -2.011  -4.188   0.586  1.00  0.00           C  
HETATM    9  O3  UNL     1      -2.696  -4.542   1.728  1.00  0.00           O  
HETATM   10  C7  UNL     1      -1.283  -1.786   0.712  1.00  0.00           C  
HETATM   11  C8  UNL     1      -1.409  -0.452   0.399  1.00  0.00           C  
HETATM   12  C9  UNL     1      -0.446   0.525   0.894  1.00  0.00           C  
HETATM   13  C10 UNL     1       0.962   0.261   0.413  1.00  0.00           C  
HETATM   14  O4  UNL     1       1.444  -0.988   0.808  1.00  0.00           O  
HETATM   15  C11 UNL     1       2.832  -0.918   0.769  1.00  0.00           C  
HETATM   16  C12 UNL     1       3.490  -2.035   1.526  1.00  0.00           C  
HETATM   17  O5  UNL     1       3.178  -3.292   1.059  1.00  0.00           O  
HETATM   18  C13 UNL     1       3.272  -0.862  -0.671  1.00  0.00           C  
HETATM   19  O6  UNL     1       4.640  -0.685  -0.779  1.00  0.00           O  
HETATM   20  C14 UNL     1       2.582   0.238  -1.398  1.00  0.00           C  
HETATM   21  O7  UNL     1       3.207   1.477  -1.227  1.00  0.00           O  
HETATM   22  C15 UNL     1       1.105   0.342  -1.078  1.00  0.00           C  
HETATM   23  O8  UNL     1       0.358  -0.592  -1.763  1.00  0.00           O  
HETATM   24  C16 UNL     1      -0.780   1.944   0.548  1.00  0.00           C  
HETATM   25  C17 UNL     1       0.093   2.867   1.120  1.00  0.00           C  
HETATM   26  C18 UNL     1      -0.065   4.212   0.876  1.00  0.00           C  
HETATM   27  C19 UNL     1      -1.094   4.612   0.065  1.00  0.00           C  
HETATM   28  O9  UNL     1      -1.321   5.967  -0.232  1.00  0.00           O  
HETATM   29  C20 UNL     1      -1.983   3.692  -0.517  1.00  0.00           C  
HETATM   30  O10 UNL     1      -2.994   4.161  -1.321  1.00  0.00           O  
HETATM   31  C21 UNL     1      -1.792   2.353  -0.249  1.00  0.00           C  
HETATM   32  H1  UNL     1      -5.048  -1.209  -2.100  1.00  0.00           H  
HETATM   33  H2  UNL     1      -3.905  -3.103  -0.962  1.00  0.00           H  
HETATM   34  H3  UNL     1      -0.948  -4.478   0.697  1.00  0.00           H  
HETATM   35  H4  UNL     1      -2.405  -4.777  -0.266  1.00  0.00           H  
HETATM   36  H5  UNL     1      -3.511  -4.018   1.882  1.00  0.00           H  
HETATM   37  H6  UNL     1      -0.481  -2.161   1.356  1.00  0.00           H  
HETATM   38  H7  UNL     1      -0.412   0.484   1.998  1.00  0.00           H  
HETATM   39  H8  UNL     1       1.630   1.020   0.852  1.00  0.00           H  
HETATM   40  H9  UNL     1       3.122   0.032   1.266  1.00  0.00           H  
HETATM   41  H10 UNL     1       3.146  -1.935   2.595  1.00  0.00           H  
HETATM   42  H11 UNL     1       4.589  -1.941   1.567  1.00  0.00           H  
HETATM   43  H12 UNL     1       3.777  -3.934   1.514  1.00  0.00           H  
HETATM   44  H13 UNL     1       3.020  -1.822  -1.180  1.00  0.00           H  
HETATM   45  H14 UNL     1       4.905  -0.007  -1.433  1.00  0.00           H  
HETATM   46  H15 UNL     1       2.674   0.016  -2.501  1.00  0.00           H  
HETATM   47  H16 UNL     1       3.811   1.491  -0.447  1.00  0.00           H  
HETATM   48  H17 UNL     1       0.787   1.359  -1.386  1.00  0.00           H  
HETATM   49  H18 UNL     1       0.651  -1.515  -1.537  1.00  0.00           H  
HETATM   50  H19 UNL     1       0.909   2.599   1.770  1.00  0.00           H  
HETATM   51  H20 UNL     1       0.612   4.955   1.317  1.00  0.00           H  
HETATM   52  H21 UNL     1      -0.682   6.626   0.187  1.00  0.00           H  
HETATM   53  H22 UNL     1      -3.712   3.814  -1.830  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   31
CONECT    3    4    4   11
CONECT    4    5    6
CONECT    5   32
CONECT    6    7    7   33
CONECT    7    8   10
CONECT    8    9   34   35
CONECT    9   36
CONECT   10   11   11   37
CONECT   11   12
CONECT   12   13   24   38
CONECT   13   14   22   39
CONECT   14   15
CONECT   15   16   18   40
CONECT   16   17   41   42
CONECT   17   43
CONECT   18   19   20   44
CONECT   19   45
CONECT   20   21   22   46
CONECT   21   47
CONECT   22   23   48
CONECT   23   49
CONECT   24   25   25   31
CONECT   25   26   50
CONECT   26   27   27   51
CONECT   27   28   29
CONECT   28   52
CONECT   29   30   31   31
CONECT   30   53
END

HMDB0041150
     RDKit          3D
7-Hydroxyaloin B
 53 56  0  0  0  0  0  0  0  0999 V2000
   -3.6328    1.6753   -1.5148 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6865    1.3323   -0.7730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4477   -0.0649   -0.4132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3355   -1.0363   -0.8930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3672   -0.5872   -1.7122 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1945   -2.3718   -0.5701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1520   -2.7520    0.2455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0113   -4.1876    0.5858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6959   -4.5425    1.7283 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2834   -1.7865    0.7118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4093   -0.4523    0.3990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4456    0.5247    0.8944 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9619    0.2605    0.4133 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4438   -0.9885    0.8082 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8324   -0.9175    0.7693 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4897   -2.0349    1.5263 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1777   -3.2916    1.0588 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2718   -0.8618   -0.6711 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6396   -0.6845   -0.7788 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5824    0.2380   -1.3981 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2070    1.4770   -1.2271 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1051    0.3421   -1.0780 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3577   -0.5922   -1.7627 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7802    1.9439    0.5475 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0935    2.8668    1.1198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0648    4.2121    0.8763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0941    4.6117    0.0652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3213    5.9669   -0.2320 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9825    3.6924   -0.5171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9938    4.1606   -1.3210 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7922    2.3529   -0.2492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0478   -1.2093   -2.1003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9050   -3.1027   -0.9618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9485   -4.4781    0.6975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4054   -4.7774   -0.2655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5115   -4.0179    1.8823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4808   -2.1609    1.3562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4119    0.4836    1.9978 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6300    1.0197    0.8522 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1222    0.0317    1.2663 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1460   -1.9348    2.5954 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5889   -1.9411    1.5673 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7766   -3.9340    1.5143 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0197   -1.8216   -1.1803 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9052   -0.0069   -1.4330 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6740    0.0165   -2.5006 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8107    1.4911   -0.4475 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7873    1.3589   -1.3861 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6509   -1.5150   -1.5372 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9089    2.5986    1.7704 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6124    4.9546    1.3169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6817    6.6262    0.1874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7123    3.8136   -1.8297 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  7 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 15 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 12 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
 29 31  2  0
 31  2  1  0
 11  3  1  0
 22 13  1  0
 31 24  1  0
  5 32  1  0
  6 33  1  0
  8 34  1  0
  8 35  1  0
  9 36  1  0
 10 37  1  0
 12 38  1  0
 13 39  1  0
 15 40  1  0
 16 41  1  0
 16 42  1  0
 17 43  1  0
 18 44  1  0
 19 45  1  0
 20 46  1  0
 21 47  1  0
 22 48  1  0
 23 49  1  0
 25 50  1  0
 26 51  1  0
 28 52  1  0
 30 53  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
7-Hydroxyaloin	HMDB

Chemical Formula

C₂₁H₂₂O₁₀

Average Molecular Weight

434.3934

Monoisotopic Molecular Weight

434.121296924

IUPAC Name

1,2,8-trihydroxy-6-(hydroxymethyl)-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-9,10-dihydroanthracen-9-one

Traditional Name

1,2,8-trihydroxy-6-(hydroxymethyl)-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-10H-anthracen-9-one

CAS Registry Number

82461-12-9

SMILES

OCC1OC(C(O)C(O)C1O)C1C2=C(C(O)=C(O)C=C2)C(=O)C2=C1C=C(CO)C=C2O

InChI Identifier

InChI=1S/C21H22O10/c22-5-7-3-9-13(21-20(30)19(29)17(27)12(6-23)31-21)8-1-2-10(24)16(26)15(8)18(28)14(9)11(25)4-7/h1-4,12-13,17,19-27,29-30H,5-6H2

InChI Key

HKKOALUTOMGGMT-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as anthracenes. These are organic compounds containing a system of three linearly fused benzene rings.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Anthracenes

Sub Class

Not Available

Direct Parent

Anthracenes

Alternative Parents

Substituents

Anthracene
Hexose monosaccharide
C-glycosyl compound
Glycosyl compound
Aryl ketone
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Monosaccharide
Oxane
Vinylogous acid
Ketone
Secondary alcohol
Dialkyl ether
Ether
Oxacycle
Organoheterocyclic compound
Polyol
Hydrocarbon derivative
Organic oxygen compound
Organic oxide
Aromatic alcohol
Organooxygen compound
Primary alcohol
Alcohol
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0041150)
Cytoplasm (HMDB: HMDB0041150)

Source

Exogenous

Exogenous (HMDB: HMDB0041150)

Food

Food (HMDB: HMDB0041150)

Process

Not Available

Role

Biological role

Nutrient (HMDB: HMDB0041150)

Physical Properties

State

Not Available

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	3.72 g/L	ALOGPS
logP	-0.6	ALOGPS
logP	0.11	ChemAxon
logS	-2.1	ALOGPS
pKa (Strongest Acidic)	9.02	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	188.14 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	105.77 m³·mol⁻¹	ChemAxon
Polarizability	41.83 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	197.821	31661259
DarkChem	[M-H]-	193.063	31661259
DeepCCS	[M+H]+	195.007	30932474
DeepCCS	[M-H]-	192.611	30932474
DeepCCS	[M-2H]-	225.974	30932474
DeepCCS	[M+Na]+	200.933	30932474
AllCCS	[M+H]+	200.2	32859911
AllCCS	[M+H-H2O]+	197.7	32859911
AllCCS	[M+NH4]+	202.4	32859911
AllCCS	[M+Na]+	203.1	32859911
AllCCS	[M-H]-	198.4	32859911
AllCCS	[M+Na-2H]-	198.7	32859911
AllCCS	[M+HCOO]-	199.1	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
7-Hydroxyaloin B	OCC1OC(C(O)C(O)C1O)C1C2=C(C(O)=C(O)C=C2)C(=O)C2=C1C=C(CO)C=C2O	4591.1	Standard polar	33892256
7-Hydroxyaloin B	OCC1OC(C(O)C(O)C1O)C1C2=C(C(O)=C(O)C=C2)C(=O)C2=C1C=C(CO)C=C2O	3652.2	Standard non polar	33892256
7-Hydroxyaloin B	OCC1OC(C(O)C(O)C1O)C1C2=C(C(O)=C(O)C=C2)C(=O)C2=C1C=C(CO)C=C2O	4152.8	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
7-Hydroxyaloin B,1TMS,isomer #1	C[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O)=C3C(=O)C3=C2C=CC(O)=C3O)C(O)C(O)C1O	4057.8	Semi standard non polar	33892256
7-Hydroxyaloin B,1TMS,isomer #2	C[Si](C)(C)OC1C(O)C(O)C(CO)OC1C1C2=CC(CO)=CC(O)=C2C(=O)C2=C1C=CC(O)=C2O	4021.2	Semi standard non polar	33892256
7-Hydroxyaloin B,1TMS,isomer #3	C[Si](C)(C)OC1C(O)C(CO)OC(C2C3=CC(CO)=CC(O)=C3C(=O)C3=C2C=CC(O)=C3O)C1O	4039.1	Semi standard non polar	33892256
7-Hydroxyaloin B,1TMS,isomer #4	C[Si](C)(C)OC1C(CO)OC(C2C3=CC(CO)=CC(O)=C3C(=O)C3=C2C=CC(O)=C3O)C(O)C1O	4041.5	Semi standard non polar	33892256
7-Hydroxyaloin B,1TMS,isomer #5	C[Si](C)(C)OC1=C(O)C=CC2=C1C(=O)C1=C(O)C=C(CO)C=C1C2C1OC(CO)C(O)C(O)C1O	4030.0	Semi standard non polar	33892256
7-Hydroxyaloin B,1TMS,isomer #6	C[Si](C)(C)OC1=CC=C2C(=C1O)C(=O)C1=C(O)C=C(CO)C=C1C2C1OC(CO)C(O)C(O)C1O	4100.7	Semi standard non polar	33892256
7-Hydroxyaloin B,1TMS,isomer #7	C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O)C(O)=CC=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	4092.9	Semi standard non polar	33892256
7-Hydroxyaloin B,1TMS,isomer #8	C[Si](C)(C)OC1=CC(CO)=CC2=C1C(=O)C1=C(C=CC(O)=C1O)C2C1OC(CO)C(O)C(O)C1O	4079.9	Semi standard non polar	33892256
7-Hydroxyaloin B,2TMS,isomer #1	C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O)C(O)=CC=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C2=C1	3950.5	Semi standard non polar	33892256
7-Hydroxyaloin B,2TMS,isomer #10	C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O)C(O)=CC=C3C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C2=C1	3924.5	Semi standard non polar	33892256
7-Hydroxyaloin B,2TMS,isomer #11	C[Si](C)(C)OC1=CC(CO)=CC2=C1C(=O)C1=C(C=CC(O)=C1O)C2C1OC(CO)C(O)C(O)C1O[Si](C)(C)C	3924.3	Semi standard non polar	33892256
7-Hydroxyaloin B,2TMS,isomer #12	C[Si](C)(C)OC1=CC=C2C(=C1O)C(=O)C1=C(O)C=C(CO)C=C1C2C1OC(CO)C(O)C(O)C1O[Si](C)(C)C	3923.8	Semi standard non polar	33892256
7-Hydroxyaloin B,2TMS,isomer #13	C[Si](C)(C)OC1=C(O)C=CC2=C1C(=O)C1=C(O)C=C(CO)C=C1C2C1OC(CO)C(O)C(O)C1O[Si](C)(C)C	3852.8	Semi standard non polar	33892256
7-Hydroxyaloin B,2TMS,isomer #14	C[Si](C)(C)OC1C(CO)OC(C2C3=CC(CO)=CC(O)=C3C(=O)C3=C2C=CC(O)=C3O)C(O)C1O[Si](C)(C)C	3905.1	Semi standard non polar	33892256
7-Hydroxyaloin B,2TMS,isomer #15	C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O)C(O)=CC=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C2=C1	3911.2	Semi standard non polar	33892256
7-Hydroxyaloin B,2TMS,isomer #16	C[Si](C)(C)OC1=CC(CO)=CC2=C1C(=O)C1=C(C=CC(O)=C1O)C2C1OC(CO)C(O)C(O[Si](C)(C)C)C1O	3923.3	Semi standard non polar	33892256
7-Hydroxyaloin B,2TMS,isomer #17	C[Si](C)(C)OC1=CC=C2C(=C1O)C(=O)C1=C(O)C=C(CO)C=C1C2C1OC(CO)C(O)C(O[Si](C)(C)C)C1O	3920.8	Semi standard non polar	33892256
7-Hydroxyaloin B,2TMS,isomer #18	C[Si](C)(C)OC1=C(O)C=CC2=C1C(=O)C1=C(O)C=C(CO)C=C1C2C1OC(CO)C(O)C(O[Si](C)(C)C)C1O	3854.6	Semi standard non polar	33892256
7-Hydroxyaloin B,2TMS,isomer #19	C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O)C(O)=CC=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C2=C1	3930.4	Semi standard non polar	33892256
7-Hydroxyaloin B,2TMS,isomer #2	C[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O[Si](C)(C)C)=C3C(=O)C3=C2C=CC(O)=C3O)C(O)C(O)C1O	3933.9	Semi standard non polar	33892256
7-Hydroxyaloin B,2TMS,isomer #20	C[Si](C)(C)OC1=CC(CO)=CC2=C1C(=O)C1=C(C=CC(O)=C1O)C2C1OC(CO)C(O[Si](C)(C)C)C(O)C1O	3934.0	Semi standard non polar	33892256
7-Hydroxyaloin B,2TMS,isomer #21	C[Si](C)(C)OC1=CC=C2C(=C1O)C(=O)C1=C(O)C=C(CO)C=C1C2C1OC(CO)C(O[Si](C)(C)C)C(O)C1O	3931.0	Semi standard non polar	33892256
7-Hydroxyaloin B,2TMS,isomer #22	C[Si](C)(C)OC1=C(O)C=CC2=C1C(=O)C1=C(O)C=C(CO)C=C1C2C1OC(CO)C(O[Si](C)(C)C)C(O)C1O	3865.4	Semi standard non polar	33892256
7-Hydroxyaloin B,2TMS,isomer #23	C[Si](C)(C)OC1=CC=C2C(=C1O[Si](C)(C)C)C(=O)C1=C(O)C=C(CO)C=C1C2C1OC(CO)C(O)C(O)C1O	3964.9	Semi standard non polar	33892256
7-Hydroxyaloin B,2TMS,isomer #24	C[Si](C)(C)OC1=CC(CO)=CC2=C1C(=O)C1=C(C=CC(O)=C1O[Si](C)(C)C)C2C1OC(CO)C(O)C(O)C1O	3940.5	Semi standard non polar	33892256
7-Hydroxyaloin B,2TMS,isomer #25	C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C)C(O)=CC=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	3936.9	Semi standard non polar	33892256
7-Hydroxyaloin B,2TMS,isomer #26	C[Si](C)(C)OC1=CC=C2C(=C1O)C(=O)C1=C(O[Si](C)(C)C)C=C(CO)C=C1C2C1OC(CO)C(O)C(O)C1O	4004.3	Semi standard non polar	33892256
7-Hydroxyaloin B,2TMS,isomer #27	C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O)C(O[Si](C)(C)C)=CC=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	4009.0	Semi standard non polar	33892256
7-Hydroxyaloin B,2TMS,isomer #28	C[Si](C)(C)OCC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O)C(O)=CC=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	3977.7	Semi standard non polar	33892256
7-Hydroxyaloin B,2TMS,isomer #3	C[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O)=C3C(=O)C3=C2C=CC(O[Si](C)(C)C)=C3O)C(O)C(O)C1O	3957.3	Semi standard non polar	33892256
7-Hydroxyaloin B,2TMS,isomer #4	C[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O)=C3C(=O)C3=C2C=CC(O)=C3O[Si](C)(C)C)C(O)C(O)C1O	3889.2	Semi standard non polar	33892256
7-Hydroxyaloin B,2TMS,isomer #5	C[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O)=C3C(=O)C3=C2C=CC(O)=C3O)C(O[Si](C)(C)C)C(O)C1O	3884.3	Semi standard non polar	33892256
7-Hydroxyaloin B,2TMS,isomer #6	C[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O)=C3C(=O)C3=C2C=CC(O)=C3O)C(O)C(O[Si](C)(C)C)C1O	3904.1	Semi standard non polar	33892256
7-Hydroxyaloin B,2TMS,isomer #7	C[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O)=C3C(=O)C3=C2C=CC(O)=C3O)C(O)C(O)C1O[Si](C)(C)C	3896.1	Semi standard non polar	33892256
7-Hydroxyaloin B,2TMS,isomer #8	C[Si](C)(C)OC1C(O)C(CO)OC(C2C3=CC(CO)=CC(O)=C3C(=O)C3=C2C=CC(O)=C3O)C1O[Si](C)(C)C	3910.4	Semi standard non polar	33892256
7-Hydroxyaloin B,2TMS,isomer #9	C[Si](C)(C)OC1C(CO)OC(C2C3=CC(CO)=CC(O)=C3C(=O)C3=C2C=CC(O)=C3O)C(O[Si](C)(C)C)C1O	3869.5	Semi standard non polar	33892256
7-Hydroxyaloin B,3TMS,isomer #1	C[Si](C)(C)OCC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O)C(O)=CC=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C2=C1	3829.2	Semi standard non polar	33892256
7-Hydroxyaloin B,3TMS,isomer #10	C[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O[Si](C)(C)C)=C3C(=O)C3=C2C=CC(O)=C3O)C(O)C(O[Si](C)(C)C)C1O	3807.9	Semi standard non polar	33892256
7-Hydroxyaloin B,3TMS,isomer #11	C[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O[Si](C)(C)C)=C3C(=O)C3=C2C=CC(O)=C3O)C(O)C(O)C1O[Si](C)(C)C	3813.6	Semi standard non polar	33892256
7-Hydroxyaloin B,3TMS,isomer #12	C[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O)=C3C(=O)C3=C2C=CC(O[Si](C)(C)C)=C3O[Si](C)(C)C)C(O)C(O)C1O	3820.0	Semi standard non polar	33892256
7-Hydroxyaloin B,3TMS,isomer #13	C[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O)=C3C(=O)C3=C2C=CC(O[Si](C)(C)C)=C3O)C(O[Si](C)(C)C)C(O)C1O	3799.6	Semi standard non polar	33892256
7-Hydroxyaloin B,3TMS,isomer #14	C[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O)=C3C(=O)C3=C2C=CC(O[Si](C)(C)C)=C3O)C(O)C(O[Si](C)(C)C)C1O	3808.0	Semi standard non polar	33892256
7-Hydroxyaloin B,3TMS,isomer #15	C[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O)=C3C(=O)C3=C2C=CC(O[Si](C)(C)C)=C3O)C(O)C(O)C1O[Si](C)(C)C	3815.0	Semi standard non polar	33892256
7-Hydroxyaloin B,3TMS,isomer #16	C[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O)=C3C(=O)C3=C2C=CC(O)=C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	3740.6	Semi standard non polar	33892256
7-Hydroxyaloin B,3TMS,isomer #17	C[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O)=C3C(=O)C3=C2C=CC(O)=C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	3755.0	Semi standard non polar	33892256
7-Hydroxyaloin B,3TMS,isomer #18	C[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O)=C3C(=O)C3=C2C=CC(O)=C3O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	3759.6	Semi standard non polar	33892256
7-Hydroxyaloin B,3TMS,isomer #19	C[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O)=C3C(=O)C3=C2C=CC(O)=C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3812.6	Semi standard non polar	33892256
7-Hydroxyaloin B,3TMS,isomer #2	C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O)C(O)=CC=C3C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C2=C1	3817.5	Semi standard non polar	33892256
7-Hydroxyaloin B,3TMS,isomer #20	C[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O)=C3C(=O)C3=C2C=CC(O)=C3O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3806.5	Semi standard non polar	33892256
7-Hydroxyaloin B,3TMS,isomer #21	C[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O)=C3C(=O)C3=C2C=CC(O)=C3O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3822.3	Semi standard non polar	33892256
7-Hydroxyaloin B,3TMS,isomer #22	C[Si](C)(C)OC1C(CO)OC(C2C3=CC(CO)=CC(O)=C3C(=O)C3=C2C=CC(O)=C3O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3834.3	Semi standard non polar	33892256
7-Hydroxyaloin B,3TMS,isomer #23	C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O)C(O)=CC=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2=C1	3812.1	Semi standard non polar	33892256
7-Hydroxyaloin B,3TMS,isomer #24	C[Si](C)(C)OC1=CC(CO)=CC2=C1C(=O)C1=C(C=CC(O)=C1O)C2C1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3837.1	Semi standard non polar	33892256
7-Hydroxyaloin B,3TMS,isomer #25	C[Si](C)(C)OC1=CC=C2C(=C1O)C(=O)C1=C(O)C=C(CO)C=C1C2C1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3803.1	Semi standard non polar	33892256
7-Hydroxyaloin B,3TMS,isomer #26	C[Si](C)(C)OC1=C(O)C=CC2=C1C(=O)C1=C(O)C=C(CO)C=C1C2C1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3748.9	Semi standard non polar	33892256
7-Hydroxyaloin B,3TMS,isomer #27	C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O)C(O)=CC=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C2=C1	3812.9	Semi standard non polar	33892256
7-Hydroxyaloin B,3TMS,isomer #28	C[Si](C)(C)OC1=CC(CO)=CC2=C1C(=O)C1=C(C=CC(O)=C1O)C2C1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3814.3	Semi standard non polar	33892256
7-Hydroxyaloin B,3TMS,isomer #29	C[Si](C)(C)OC1=CC=C2C(=C1O)C(=O)C1=C(O)C=C(CO)C=C1C2C1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3793.9	Semi standard non polar	33892256
7-Hydroxyaloin B,3TMS,isomer #3	C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O)C(O)=CC=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C2=C1	3795.0	Semi standard non polar	33892256
7-Hydroxyaloin B,3TMS,isomer #30	C[Si](C)(C)OC1=C(O)C=CC2=C1C(=O)C1=C(O)C=C(CO)C=C1C2C1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3737.8	Semi standard non polar	33892256
7-Hydroxyaloin B,3TMS,isomer #31	C[Si](C)(C)OCC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O)C(O)=CC=C3C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C2=C1	3828.2	Semi standard non polar	33892256
7-Hydroxyaloin B,3TMS,isomer #32	C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O)C(O[Si](C)(C)C)=CC=C3C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C2=C1	3816.9	Semi standard non polar	33892256
7-Hydroxyaloin B,3TMS,isomer #33	C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C)C(O)=CC=C3C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C2=C1	3753.3	Semi standard non polar	33892256
7-Hydroxyaloin B,3TMS,isomer #34	C[Si](C)(C)OC1=CC=C2C(=C1O)C(=O)C1=C(O[Si](C)(C)C)C=C(CO)C=C1C2C1OC(CO)C(O)C(O)C1O[Si](C)(C)C	3842.3	Semi standard non polar	33892256
7-Hydroxyaloin B,3TMS,isomer #35	C[Si](C)(C)OC1=CC(CO)=CC2=C1C(=O)C1=C(C=CC(O)=C1O[Si](C)(C)C)C2C1OC(CO)C(O)C(O)C1O[Si](C)(C)C	3788.9	Semi standard non polar	33892256
7-Hydroxyaloin B,3TMS,isomer #36	C[Si](C)(C)OC1=CC=C2C(=C1O[Si](C)(C)C)C(=O)C1=C(O)C=C(CO)C=C1C2C1OC(CO)C(O)C(O)C1O[Si](C)(C)C	3813.3	Semi standard non polar	33892256
7-Hydroxyaloin B,3TMS,isomer #37	C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O)C(O)=CC=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C2=C1	3819.4	Semi standard non polar	33892256
7-Hydroxyaloin B,3TMS,isomer #38	C[Si](C)(C)OC1=CC(CO)=CC2=C1C(=O)C1=C(C=CC(O)=C1O)C2C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3832.7	Semi standard non polar	33892256
7-Hydroxyaloin B,3TMS,isomer #39	C[Si](C)(C)OC1=CC=C2C(=C1O)C(=O)C1=C(O)C=C(CO)C=C1C2C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3802.0	Semi standard non polar	33892256
7-Hydroxyaloin B,3TMS,isomer #4	C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O)C(O)=CC=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C2=C1	3805.4	Semi standard non polar	33892256
7-Hydroxyaloin B,3TMS,isomer #40	C[Si](C)(C)OC1=C(O)C=CC2=C1C(=O)C1=C(O)C=C(CO)C=C1C2C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3751.5	Semi standard non polar	33892256
7-Hydroxyaloin B,3TMS,isomer #41	C[Si](C)(C)OCC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O)C(O)=CC=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C2=C1	3795.1	Semi standard non polar	33892256
7-Hydroxyaloin B,3TMS,isomer #42	C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O)C(O[Si](C)(C)C)=CC=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C2=C1	3817.3	Semi standard non polar	33892256
7-Hydroxyaloin B,3TMS,isomer #43	C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C)C(O)=CC=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C2=C1	3751.4	Semi standard non polar	33892256
7-Hydroxyaloin B,3TMS,isomer #44	C[Si](C)(C)OC1=CC=C2C(=C1O)C(=O)C1=C(O[Si](C)(C)C)C=C(CO)C=C1C2C1OC(CO)C(O)C(O[Si](C)(C)C)C1O	3814.7	Semi standard non polar	33892256
7-Hydroxyaloin B,3TMS,isomer #45	C[Si](C)(C)OC1=CC(CO)=CC2=C1C(=O)C1=C(C=CC(O)=C1O[Si](C)(C)C)C2C1OC(CO)C(O)C(O[Si](C)(C)C)C1O	3766.7	Semi standard non polar	33892256
7-Hydroxyaloin B,3TMS,isomer #46	C[Si](C)(C)OC1=CC=C2C(=C1O[Si](C)(C)C)C(=O)C1=C(O)C=C(CO)C=C1C2C1OC(CO)C(O)C(O[Si](C)(C)C)C1O	3806.6	Semi standard non polar	33892256
7-Hydroxyaloin B,3TMS,isomer #47	C[Si](C)(C)OCC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O)C(O)=CC=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C2=C1	3838.7	Semi standard non polar	33892256
7-Hydroxyaloin B,3TMS,isomer #48	C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O)C(O[Si](C)(C)C)=CC=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C2=C1	3834.4	Semi standard non polar	33892256
7-Hydroxyaloin B,3TMS,isomer #49	C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C)C(O)=CC=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C2=C1	3775.6	Semi standard non polar	33892256
7-Hydroxyaloin B,3TMS,isomer #5	C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O)C(O[Si](C)(C)C)=CC=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C2=C1	3844.1	Semi standard non polar	33892256
7-Hydroxyaloin B,3TMS,isomer #50	C[Si](C)(C)OC1=CC=C2C(=C1O)C(=O)C1=C(O[Si](C)(C)C)C=C(CO)C=C1C2C1OC(CO)C(O[Si](C)(C)C)C(O)C1O	3852.5	Semi standard non polar	33892256
7-Hydroxyaloin B,3TMS,isomer #51	C[Si](C)(C)OC1=CC(CO)=CC2=C1C(=O)C1=C(C=CC(O)=C1O[Si](C)(C)C)C2C1OC(CO)C(O[Si](C)(C)C)C(O)C1O	3800.8	Semi standard non polar	33892256
7-Hydroxyaloin B,3TMS,isomer #52	C[Si](C)(C)OC1=CC=C2C(=C1O[Si](C)(C)C)C(=O)C1=C(O)C=C(CO)C=C1C2C1OC(CO)C(O[Si](C)(C)C)C(O)C1O	3826.8	Semi standard non polar	33892256
7-Hydroxyaloin B,3TMS,isomer #53	C[Si](C)(C)OC1=CC=C2C(=C1O[Si](C)(C)C)C(=O)C1=C(O[Si](C)(C)C)C=C(CO)C=C1C2C1OC(CO)C(O)C(O)C1O	3902.2	Semi standard non polar	33892256
7-Hydroxyaloin B,3TMS,isomer #54	C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=CC=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	3865.1	Semi standard non polar	33892256
7-Hydroxyaloin B,3TMS,isomer #55	C[Si](C)(C)OCC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O[Si](C)(C)C)C(O)=CC=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	3827.1	Semi standard non polar	33892256
7-Hydroxyaloin B,3TMS,isomer #56	C[Si](C)(C)OCC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O)C(O[Si](C)(C)C)=CC=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	3889.2	Semi standard non polar	33892256
7-Hydroxyaloin B,3TMS,isomer #6	C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C)C(O)=CC=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C2=C1	3776.8	Semi standard non polar	33892256
7-Hydroxyaloin B,3TMS,isomer #7	C[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O[Si](C)(C)C)=C3C(=O)C3=C2C=CC(O[Si](C)(C)C)=C3O)C(O)C(O)C1O	3857.8	Semi standard non polar	33892256
7-Hydroxyaloin B,3TMS,isomer #8	C[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O[Si](C)(C)C)=C3C(=O)C3=C2C=CC(O)=C3O[Si](C)(C)C)C(O)C(O)C1O	3796.7	Semi standard non polar	33892256
7-Hydroxyaloin B,3TMS,isomer #9	C[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O[Si](C)(C)C)=C3C(=O)C3=C2C=CC(O)=C3O)C(O[Si](C)(C)C)C(O)C1O	3810.6	Semi standard non polar	33892256
7-Hydroxyaloin B,4TMS,isomer #1	C[Si](C)(C)OCC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O)C(O)=CC=C3C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C2=C1	3721.5	Semi standard non polar	33892256
7-Hydroxyaloin B,4TMS,isomer #10	C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O)C(O)=CC=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2=C1	3714.2	Semi standard non polar	33892256
7-Hydroxyaloin B,4TMS,isomer #11	C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O)C(O[Si](C)(C)C)=CC=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C2=C1	3693.9	Semi standard non polar	33892256
7-Hydroxyaloin B,4TMS,isomer #12	C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C)C(O)=CC=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C2=C1	3640.1	Semi standard non polar	33892256
7-Hydroxyaloin B,4TMS,isomer #13	C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O)C(O[Si](C)(C)C)=CC=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C2=C1	3693.4	Semi standard non polar	33892256
7-Hydroxyaloin B,4TMS,isomer #14	C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C)C(O)=CC=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C2=C1	3634.8	Semi standard non polar	33892256
7-Hydroxyaloin B,4TMS,isomer #15	C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=CC=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C2=C1	3708.9	Semi standard non polar	33892256
7-Hydroxyaloin B,4TMS,isomer #16	C[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O[Si](C)(C)C)=C3C(=O)C3=C2C=CC(O[Si](C)(C)C)=C3O[Si](C)(C)C)C(O)C(O)C1O	3748.4	Semi standard non polar	33892256
7-Hydroxyaloin B,4TMS,isomer #17	C[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O[Si](C)(C)C)=C3C(=O)C3=C2C=CC(O[Si](C)(C)C)=C3O)C(O[Si](C)(C)C)C(O)C1O	3716.0	Semi standard non polar	33892256
7-Hydroxyaloin B,4TMS,isomer #18	C[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O[Si](C)(C)C)=C3C(=O)C3=C2C=CC(O[Si](C)(C)C)=C3O)C(O)C(O[Si](C)(C)C)C1O	3716.3	Semi standard non polar	33892256
7-Hydroxyaloin B,4TMS,isomer #19	C[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O[Si](C)(C)C)=C3C(=O)C3=C2C=CC(O[Si](C)(C)C)=C3O)C(O)C(O)C1O[Si](C)(C)C	3730.6	Semi standard non polar	33892256
7-Hydroxyaloin B,4TMS,isomer #2	C[Si](C)(C)OCC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O)C(O)=CC=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C2=C1	3691.7	Semi standard non polar	33892256
7-Hydroxyaloin B,4TMS,isomer #20	C[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O[Si](C)(C)C)=C3C(=O)C3=C2C=CC(O)=C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	3664.3	Semi standard non polar	33892256
7-Hydroxyaloin B,4TMS,isomer #21	C[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O[Si](C)(C)C)=C3C(=O)C3=C2C=CC(O)=C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	3676.7	Semi standard non polar	33892256
7-Hydroxyaloin B,4TMS,isomer #22	C[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O[Si](C)(C)C)=C3C(=O)C3=C2C=CC(O)=C3O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	3679.6	Semi standard non polar	33892256
7-Hydroxyaloin B,4TMS,isomer #23	C[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O[Si](C)(C)C)=C3C(=O)C3=C2C=CC(O)=C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3733.5	Semi standard non polar	33892256
7-Hydroxyaloin B,4TMS,isomer #24	C[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O[Si](C)(C)C)=C3C(=O)C3=C2C=CC(O)=C3O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3731.2	Semi standard non polar	33892256
7-Hydroxyaloin B,4TMS,isomer #25	C[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O[Si](C)(C)C)=C3C(=O)C3=C2C=CC(O)=C3O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3745.7	Semi standard non polar	33892256
7-Hydroxyaloin B,4TMS,isomer #26	C[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O)=C3C(=O)C3=C2C=CC(O[Si](C)(C)C)=C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	3696.7	Semi standard non polar	33892256
7-Hydroxyaloin B,4TMS,isomer #27	C[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O)=C3C(=O)C3=C2C=CC(O[Si](C)(C)C)=C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	3701.3	Semi standard non polar	33892256
7-Hydroxyaloin B,4TMS,isomer #28	C[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O)=C3C(=O)C3=C2C=CC(O[Si](C)(C)C)=C3O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	3706.5	Semi standard non polar	33892256
7-Hydroxyaloin B,4TMS,isomer #29	C[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O)=C3C(=O)C3=C2C=CC(O[Si](C)(C)C)=C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3715.5	Semi standard non polar	33892256
7-Hydroxyaloin B,4TMS,isomer #3	C[Si](C)(C)OCC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O)C(O)=CC=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C2=C1	3716.5	Semi standard non polar	33892256
7-Hydroxyaloin B,4TMS,isomer #30	C[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O)=C3C(=O)C3=C2C=CC(O[Si](C)(C)C)=C3O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3708.8	Semi standard non polar	33892256
7-Hydroxyaloin B,4TMS,isomer #31	C[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O)=C3C(=O)C3=C2C=CC(O[Si](C)(C)C)=C3O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3726.9	Semi standard non polar	33892256
7-Hydroxyaloin B,4TMS,isomer #32	C[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O)=C3C(=O)C3=C2C=CC(O)=C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3659.7	Semi standard non polar	33892256
7-Hydroxyaloin B,4TMS,isomer #33	C[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O)=C3C(=O)C3=C2C=CC(O)=C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3661.3	Semi standard non polar	33892256
7-Hydroxyaloin B,4TMS,isomer #34	C[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O)=C3C(=O)C3=C2C=CC(O)=C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3672.1	Semi standard non polar	33892256
7-Hydroxyaloin B,4TMS,isomer #35	C[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O)=C3C(=O)C3=C2C=CC(O)=C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3761.3	Semi standard non polar	33892256
7-Hydroxyaloin B,4TMS,isomer #36	C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O)C(O)=CC=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2=C1	3751.4	Semi standard non polar	33892256
7-Hydroxyaloin B,4TMS,isomer #37	C[Si](C)(C)OC1=CC(CO)=CC2=C1C(=O)C1=C(C=CC(O)=C1O)C2C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3773.1	Semi standard non polar	33892256
7-Hydroxyaloin B,4TMS,isomer #38	C[Si](C)(C)OC1=CC=C2C(=C1O)C(=O)C1=C(O)C=C(CO)C=C1C2C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3729.4	Semi standard non polar	33892256
7-Hydroxyaloin B,4TMS,isomer #39	C[Si](C)(C)OC1=C(O)C=CC2=C1C(=O)C1=C(O)C=C(CO)C=C1C2C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3690.3	Semi standard non polar	33892256
7-Hydroxyaloin B,4TMS,isomer #4	C[Si](C)(C)OCC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O)C(O[Si](C)(C)C)=CC=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C2=C1	3735.1	Semi standard non polar	33892256
7-Hydroxyaloin B,4TMS,isomer #40	C[Si](C)(C)OCC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O)C(O)=CC=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2=C1	3717.7	Semi standard non polar	33892256
7-Hydroxyaloin B,4TMS,isomer #41	C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O)C(O[Si](C)(C)C)=CC=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2=C1	3684.4	Semi standard non polar	33892256
7-Hydroxyaloin B,4TMS,isomer #42	C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C)C(O)=CC=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2=C1	3638.3	Semi standard non polar	33892256
7-Hydroxyaloin B,4TMS,isomer #43	C[Si](C)(C)OC1=CC=C2C(=C1O)C(=O)C1=C(O[Si](C)(C)C)C=C(CO)C=C1C2C1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3717.2	Semi standard non polar	33892256
7-Hydroxyaloin B,4TMS,isomer #44	C[Si](C)(C)OC1=CC(CO)=CC2=C1C(=O)C1=C(C=CC(O)=C1O[Si](C)(C)C)C2C1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3678.2	Semi standard non polar	33892256
7-Hydroxyaloin B,4TMS,isomer #45	C[Si](C)(C)OC1=CC=C2C(=C1O[Si](C)(C)C)C(=O)C1=C(O)C=C(CO)C=C1C2C1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3702.7	Semi standard non polar	33892256
7-Hydroxyaloin B,4TMS,isomer #46	C[Si](C)(C)OCC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O)C(O)=CC=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C2=C1	3725.9	Semi standard non polar	33892256
7-Hydroxyaloin B,4TMS,isomer #47	C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O)C(O[Si](C)(C)C)=CC=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C2=C1	3702.2	Semi standard non polar	33892256
7-Hydroxyaloin B,4TMS,isomer #48	C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C)C(O)=CC=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C2=C1	3652.1	Semi standard non polar	33892256
7-Hydroxyaloin B,4TMS,isomer #49	C[Si](C)(C)OC1=CC=C2C(=C1O)C(=O)C1=C(O[Si](C)(C)C)C=C(CO)C=C1C2C1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3719.2	Semi standard non polar	33892256
7-Hydroxyaloin B,4TMS,isomer #5	C[Si](C)(C)OCC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O[Si](C)(C)C)C(O)=CC=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C2=C1	3676.4	Semi standard non polar	33892256
7-Hydroxyaloin B,4TMS,isomer #50	C[Si](C)(C)OC1=CC(CO)=CC2=C1C(=O)C1=C(C=CC(O)=C1O[Si](C)(C)C)C2C1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3683.2	Semi standard non polar	33892256
7-Hydroxyaloin B,4TMS,isomer #51	C[Si](C)(C)OC1=CC=C2C(=C1O[Si](C)(C)C)C(=O)C1=C(O)C=C(CO)C=C1C2C1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3711.3	Semi standard non polar	33892256
7-Hydroxyaloin B,4TMS,isomer #52	C[Si](C)(C)OCC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O)C(O[Si](C)(C)C)=CC=C3C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C2=C1	3724.7	Semi standard non polar	33892256
7-Hydroxyaloin B,4TMS,isomer #53	C[Si](C)(C)OCC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O[Si](C)(C)C)C(O)=CC=C3C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C2=C1	3676.8	Semi standard non polar	33892256
7-Hydroxyaloin B,4TMS,isomer #54	C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=CC=C3C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C2=C1	3714.2	Semi standard non polar	33892256
7-Hydroxyaloin B,4TMS,isomer #55	C[Si](C)(C)OC1=CC=C2C(=C1O[Si](C)(C)C)C(=O)C1=C(O[Si](C)(C)C)C=C(CO)C=C1C2C1OC(CO)C(O)C(O)C1O[Si](C)(C)C	3756.2	Semi standard non polar	33892256
7-Hydroxyaloin B,4TMS,isomer #56	C[Si](C)(C)OCC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O)C(O)=CC=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C2=C1	3724.7	Semi standard non polar	33892256
7-Hydroxyaloin B,4TMS,isomer #57	C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O)C(O[Si](C)(C)C)=CC=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C2=C1	3693.9	Semi standard non polar	33892256
7-Hydroxyaloin B,4TMS,isomer #58	C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C)C(O)=CC=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C2=C1	3647.0	Semi standard non polar	33892256
7-Hydroxyaloin B,4TMS,isomer #59	C[Si](C)(C)OC1=CC=C2C(=C1O)C(=O)C1=C(O[Si](C)(C)C)C=C(CO)C=C1C2C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3725.8	Semi standard non polar	33892256
7-Hydroxyaloin B,4TMS,isomer #6	C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O)C(O)=CC=C3C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C2=C1	3725.2	Semi standard non polar	33892256
7-Hydroxyaloin B,4TMS,isomer #60	C[Si](C)(C)OC1=CC(CO)=CC2=C1C(=O)C1=C(C=CC(O)=C1O[Si](C)(C)C)C2C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3687.9	Semi standard non polar	33892256
7-Hydroxyaloin B,4TMS,isomer #61	C[Si](C)(C)OC1=CC=C2C(=C1O[Si](C)(C)C)C(=O)C1=C(O)C=C(CO)C=C1C2C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3715.2	Semi standard non polar	33892256
7-Hydroxyaloin B,4TMS,isomer #62	C[Si](C)(C)OCC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O)C(O[Si](C)(C)C)=CC=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C2=C1	3708.1	Semi standard non polar	33892256
7-Hydroxyaloin B,4TMS,isomer #63	C[Si](C)(C)OCC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O[Si](C)(C)C)C(O)=CC=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C2=C1	3664.8	Semi standard non polar	33892256
7-Hydroxyaloin B,4TMS,isomer #64	C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=CC=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C2=C1	3697.0	Semi standard non polar	33892256
7-Hydroxyaloin B,4TMS,isomer #65	C[Si](C)(C)OC1=CC=C2C(=C1O[Si](C)(C)C)C(=O)C1=C(O[Si](C)(C)C)C=C(CO)C=C1C2C1OC(CO)C(O)C(O[Si](C)(C)C)C1O	3734.4	Semi standard non polar	33892256
7-Hydroxyaloin B,4TMS,isomer #66	C[Si](C)(C)OCC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O)C(O[Si](C)(C)C)=CC=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C2=C1	3735.1	Semi standard non polar	33892256
7-Hydroxyaloin B,4TMS,isomer #67	C[Si](C)(C)OCC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O[Si](C)(C)C)C(O)=CC=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C2=C1	3689.3	Semi standard non polar	33892256
7-Hydroxyaloin B,4TMS,isomer #68	C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=CC=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C2=C1	3725.3	Semi standard non polar	33892256
7-Hydroxyaloin B,4TMS,isomer #69	C[Si](C)(C)OC1=CC=C2C(=C1O[Si](C)(C)C)C(=O)C1=C(O[Si](C)(C)C)C=C(CO)C=C1C2C1OC(CO)C(O[Si](C)(C)C)C(O)C1O	3767.5	Semi standard non polar	33892256
7-Hydroxyaloin B,4TMS,isomer #7	C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O)C(O)=CC=C3C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C2=C1	3702.8	Semi standard non polar	33892256
7-Hydroxyaloin B,4TMS,isomer #70	C[Si](C)(C)OCC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=CC=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	3785.0	Semi standard non polar	33892256
7-Hydroxyaloin B,4TMS,isomer #8	C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O)C(O[Si](C)(C)C)=CC=C3C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C2=C1	3708.9	Semi standard non polar	33892256
7-Hydroxyaloin B,4TMS,isomer #9	C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C)C(O)=CC=C3C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C2=C1	3650.2	Semi standard non polar	33892256
7-Hydroxyaloin B,5TMS,isomer #1	C[Si](C)(C)OCC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O)C(O)=CC=C3C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C2=C1	3627.9	Semi standard non polar	33892256
7-Hydroxyaloin B,5TMS,isomer #10	C[Si](C)(C)OCC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=CC=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C2=C1	3660.8	Semi standard non polar	33892256
7-Hydroxyaloin B,5TMS,isomer #11	C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O)C(O)=CC=C3C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2=C1	3636.3	Semi standard non polar	33892256
7-Hydroxyaloin B,5TMS,isomer #12	C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O)C(O[Si](C)(C)C)=CC=C3C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C2=C1	3621.0	Semi standard non polar	33892256
7-Hydroxyaloin B,5TMS,isomer #13	C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C)C(O)=CC=C3C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C2=C1	3577.0	Semi standard non polar	33892256
7-Hydroxyaloin B,5TMS,isomer #14	C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O)C(O[Si](C)(C)C)=CC=C3C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C2=C1	3603.4	Semi standard non polar	33892256
7-Hydroxyaloin B,5TMS,isomer #15	C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C)C(O)=CC=C3C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C2=C1	3562.6	Semi standard non polar	33892256
7-Hydroxyaloin B,5TMS,isomer #16	C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=CC=C3C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C2=C1	3619.0	Semi standard non polar	33892256
7-Hydroxyaloin B,5TMS,isomer #17	C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O)C(O[Si](C)(C)C)=CC=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2=C1	3615.2	Semi standard non polar	33892256
7-Hydroxyaloin B,5TMS,isomer #18	C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C)C(O)=CC=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2=C1	3570.9	Semi standard non polar	33892256
7-Hydroxyaloin B,5TMS,isomer #19	C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=CC=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C2=C1	3619.2	Semi standard non polar	33892256
7-Hydroxyaloin B,5TMS,isomer #2	C[Si](C)(C)OCC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O)C(O)=CC=C3C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C2=C1	3613.2	Semi standard non polar	33892256
7-Hydroxyaloin B,5TMS,isomer #20	C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=CC=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C2=C1	3607.4	Semi standard non polar	33892256
7-Hydroxyaloin B,5TMS,isomer #21	C[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O[Si](C)(C)C)=C3C(=O)C3=C2C=CC(O[Si](C)(C)C)=C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	3657.7	Semi standard non polar	33892256
7-Hydroxyaloin B,5TMS,isomer #22	C[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O[Si](C)(C)C)=C3C(=O)C3=C2C=CC(O[Si](C)(C)C)=C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	3652.5	Semi standard non polar	33892256
7-Hydroxyaloin B,5TMS,isomer #23	C[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O[Si](C)(C)C)=C3C(=O)C3=C2C=CC(O[Si](C)(C)C)=C3O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	3659.5	Semi standard non polar	33892256
7-Hydroxyaloin B,5TMS,isomer #24	C[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O[Si](C)(C)C)=C3C(=O)C3=C2C=CC(O[Si](C)(C)C)=C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3656.6	Semi standard non polar	33892256
7-Hydroxyaloin B,5TMS,isomer #25	C[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O[Si](C)(C)C)=C3C(=O)C3=C2C=CC(O[Si](C)(C)C)=C3O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3644.1	Semi standard non polar	33892256
7-Hydroxyaloin B,5TMS,isomer #26	C[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O[Si](C)(C)C)=C3C(=O)C3=C2C=CC(O[Si](C)(C)C)=C3O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3655.2	Semi standard non polar	33892256
7-Hydroxyaloin B,5TMS,isomer #27	C[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O[Si](C)(C)C)=C3C(=O)C3=C2C=CC(O)=C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3615.0	Semi standard non polar	33892256
7-Hydroxyaloin B,5TMS,isomer #28	C[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O[Si](C)(C)C)=C3C(=O)C3=C2C=CC(O)=C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3610.7	Semi standard non polar	33892256
7-Hydroxyaloin B,5TMS,isomer #29	C[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O[Si](C)(C)C)=C3C(=O)C3=C2C=CC(O)=C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3613.9	Semi standard non polar	33892256
7-Hydroxyaloin B,5TMS,isomer #3	C[Si](C)(C)OCC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O)C(O[Si](C)(C)C)=CC=C3C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C2=C1	3637.8	Semi standard non polar	33892256
7-Hydroxyaloin B,5TMS,isomer #30	C[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O[Si](C)(C)C)=C3C(=O)C3=C2C=CC(O)=C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3685.8	Semi standard non polar	33892256
7-Hydroxyaloin B,5TMS,isomer #31	C[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O)=C3C(=O)C3=C2C=CC(O[Si](C)(C)C)=C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3645.8	Semi standard non polar	33892256
7-Hydroxyaloin B,5TMS,isomer #32	C[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O)=C3C(=O)C3=C2C=CC(O[Si](C)(C)C)=C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3634.4	Semi standard non polar	33892256
7-Hydroxyaloin B,5TMS,isomer #33	C[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O)=C3C(=O)C3=C2C=CC(O[Si](C)(C)C)=C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3646.9	Semi standard non polar	33892256
7-Hydroxyaloin B,5TMS,isomer #34	C[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O)=C3C(=O)C3=C2C=CC(O[Si](C)(C)C)=C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3658.3	Semi standard non polar	33892256
7-Hydroxyaloin B,5TMS,isomer #35	C[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O)=C3C(=O)C3=C2C=CC(O)=C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3618.6	Semi standard non polar	33892256
7-Hydroxyaloin B,5TMS,isomer #36	C[Si](C)(C)OCC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O)C(O)=CC=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2=C1	3654.8	Semi standard non polar	33892256
7-Hydroxyaloin B,5TMS,isomer #37	C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O)C(O[Si](C)(C)C)=CC=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2=C1	3629.2	Semi standard non polar	33892256
7-Hydroxyaloin B,5TMS,isomer #38	C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C)C(O)=CC=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2=C1	3586.7	Semi standard non polar	33892256
7-Hydroxyaloin B,5TMS,isomer #39	C[Si](C)(C)OC1=CC=C2C(=C1O)C(=O)C1=C(O[Si](C)(C)C)C=C(CO)C=C1C2C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3680.9	Semi standard non polar	33892256
7-Hydroxyaloin B,5TMS,isomer #4	C[Si](C)(C)OCC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O[Si](C)(C)C)C(O)=CC=C3C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C2=C1	3594.2	Semi standard non polar	33892256
7-Hydroxyaloin B,5TMS,isomer #40	C[Si](C)(C)OC1=CC(CO)=CC2=C1C(=O)C1=C(C=CC(O)=C1O[Si](C)(C)C)C2C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3650.7	Semi standard non polar	33892256
7-Hydroxyaloin B,5TMS,isomer #41	C[Si](C)(C)OC1=CC=C2C(=C1O[Si](C)(C)C)C(=O)C1=C(O)C=C(CO)C=C1C2C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3675.3	Semi standard non polar	33892256
7-Hydroxyaloin B,5TMS,isomer #42	C[Si](C)(C)OCC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O)C(O[Si](C)(C)C)=CC=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2=C1	3623.6	Semi standard non polar	33892256
7-Hydroxyaloin B,5TMS,isomer #43	C[Si](C)(C)OCC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O[Si](C)(C)C)C(O)=CC=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2=C1	3584.9	Semi standard non polar	33892256
7-Hydroxyaloin B,5TMS,isomer #44	C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=CC=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2=C1	3612.1	Semi standard non polar	33892256
7-Hydroxyaloin B,5TMS,isomer #45	C[Si](C)(C)OC1=CC=C2C(=C1O[Si](C)(C)C)C(=O)C1=C(O[Si](C)(C)C)C=C(CO)C=C1C2C1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3662.2	Semi standard non polar	33892256
7-Hydroxyaloin B,5TMS,isomer #46	C[Si](C)(C)OCC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O)C(O[Si](C)(C)C)=CC=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C2=C1	3643.3	Semi standard non polar	33892256
7-Hydroxyaloin B,5TMS,isomer #47	C[Si](C)(C)OCC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O[Si](C)(C)C)C(O)=CC=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C2=C1	3604.0	Semi standard non polar	33892256
7-Hydroxyaloin B,5TMS,isomer #48	C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=CC=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C2=C1	3628.3	Semi standard non polar	33892256
7-Hydroxyaloin B,5TMS,isomer #49	C[Si](C)(C)OC1=CC=C2C(=C1O[Si](C)(C)C)C(=O)C1=C(O[Si](C)(C)C)C=C(CO)C=C1C2C1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3678.3	Semi standard non polar	33892256
7-Hydroxyaloin B,5TMS,isomer #5	C[Si](C)(C)OCC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O)C(O)=CC=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2=C1	3624.8	Semi standard non polar	33892256
7-Hydroxyaloin B,5TMS,isomer #50	C[Si](C)(C)OCC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=CC=C3C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C2=C1	3665.5	Semi standard non polar	33892256
7-Hydroxyaloin B,5TMS,isomer #51	C[Si](C)(C)OCC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O)C(O[Si](C)(C)C)=CC=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C2=C1	3626.3	Semi standard non polar	33892256
7-Hydroxyaloin B,5TMS,isomer #52	C[Si](C)(C)OCC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O[Si](C)(C)C)C(O)=CC=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C2=C1	3587.5	Semi standard non polar	33892256
7-Hydroxyaloin B,5TMS,isomer #53	C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=CC=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C2=C1	3614.7	Semi standard non polar	33892256
7-Hydroxyaloin B,5TMS,isomer #54	C[Si](C)(C)OC1=CC=C2C(=C1O[Si](C)(C)C)C(=O)C1=C(O[Si](C)(C)C)C=C(CO)C=C1C2C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3666.2	Semi standard non polar	33892256
7-Hydroxyaloin B,5TMS,isomer #55	C[Si](C)(C)OCC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=CC=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C2=C1	3636.8	Semi standard non polar	33892256
7-Hydroxyaloin B,5TMS,isomer #56	C[Si](C)(C)OCC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=CC=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C2=C1	3664.0	Semi standard non polar	33892256
7-Hydroxyaloin B,5TMS,isomer #6	C[Si](C)(C)OCC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O)C(O[Si](C)(C)C)=CC=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C2=C1	3637.9	Semi standard non polar	33892256
7-Hydroxyaloin B,5TMS,isomer #7	C[Si](C)(C)OCC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O[Si](C)(C)C)C(O)=CC=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C2=C1	3601.5	Semi standard non polar	33892256
7-Hydroxyaloin B,5TMS,isomer #8	C[Si](C)(C)OCC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O)C(O[Si](C)(C)C)=CC=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C2=C1	3627.9	Semi standard non polar	33892256
7-Hydroxyaloin B,5TMS,isomer #9	C[Si](C)(C)OCC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O[Si](C)(C)C)C(O)=CC=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C2=C1	3585.2	Semi standard non polar	33892256
7-Hydroxyaloin B,6TMS,isomer #1	C[Si](C)(C)OCC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O)C(O)=CC=C3C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2=C1	3577.3	Semi standard non polar	33892256
7-Hydroxyaloin B,6TMS,isomer #10	C[Si](C)(C)OCC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=CC=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C2=C1	3592.2	Semi standard non polar	33892256
7-Hydroxyaloin B,6TMS,isomer #11	C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O)C(O[Si](C)(C)C)=CC=C3C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2=C1	3574.1	Semi standard non polar	33892256
7-Hydroxyaloin B,6TMS,isomer #12	C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C)C(O)=CC=C3C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2=C1	3542.2	Semi standard non polar	33892256
7-Hydroxyaloin B,6TMS,isomer #13	C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=CC=C3C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C2=C1	3582.4	Semi standard non polar	33892256
7-Hydroxyaloin B,6TMS,isomer #14	C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=CC=C3C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C2=C1	3576.2	Semi standard non polar	33892256
7-Hydroxyaloin B,6TMS,isomer #15	C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=CC=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2=C1	3581.9	Semi standard non polar	33892256
7-Hydroxyaloin B,6TMS,isomer #16	C[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O[Si](C)(C)C)=C3C(=O)C3=C2C=CC(O[Si](C)(C)C)=C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3613.4	Semi standard non polar	33892256
7-Hydroxyaloin B,6TMS,isomer #17	C[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O[Si](C)(C)C)=C3C(=O)C3=C2C=CC(O[Si](C)(C)C)=C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3603.9	Semi standard non polar	33892256
7-Hydroxyaloin B,6TMS,isomer #18	C[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O[Si](C)(C)C)=C3C(=O)C3=C2C=CC(O[Si](C)(C)C)=C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3611.1	Semi standard non polar	33892256
7-Hydroxyaloin B,6TMS,isomer #19	C[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O[Si](C)(C)C)=C3C(=O)C3=C2C=CC(O[Si](C)(C)C)=C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3595.4	Semi standard non polar	33892256
7-Hydroxyaloin B,6TMS,isomer #2	C[Si](C)(C)OCC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O)C(O[Si](C)(C)C)=CC=C3C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C2=C1	3593.1	Semi standard non polar	33892256
7-Hydroxyaloin B,6TMS,isomer #20	C[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O[Si](C)(C)C)=C3C(=O)C3=C2C=CC(O)=C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3578.4	Semi standard non polar	33892256
7-Hydroxyaloin B,6TMS,isomer #21	C[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O)=C3C(=O)C3=C2C=CC(O[Si](C)(C)C)=C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3594.5	Semi standard non polar	33892256
7-Hydroxyaloin B,6TMS,isomer #22	C[Si](C)(C)OCC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O)C(O[Si](C)(C)C)=CC=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2=C1	3587.7	Semi standard non polar	33892256
7-Hydroxyaloin B,6TMS,isomer #23	C[Si](C)(C)OCC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O[Si](C)(C)C)C(O)=CC=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2=C1	3554.9	Semi standard non polar	33892256
7-Hydroxyaloin B,6TMS,isomer #24	C[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=CC=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2=C1	3571.9	Semi standard non polar	33892256
7-Hydroxyaloin B,6TMS,isomer #25	C[Si](C)(C)OC1=CC=C2C(=C1O[Si](C)(C)C)C(=O)C1=C(O[Si](C)(C)C)C=C(CO)C=C1C2C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3621.6	Semi standard non polar	33892256
7-Hydroxyaloin B,6TMS,isomer #26	C[Si](C)(C)OCC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=CC=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2=C1	3587.4	Semi standard non polar	33892256
7-Hydroxyaloin B,6TMS,isomer #27	C[Si](C)(C)OCC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=CC=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C2=C1	3603.5	Semi standard non polar	33892256
7-Hydroxyaloin B,6TMS,isomer #28	C[Si](C)(C)OCC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=CC=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C2=C1	3592.6	Semi standard non polar	33892256
7-Hydroxyaloin B,6TMS,isomer #3	C[Si](C)(C)OCC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O[Si](C)(C)C)C(O)=CC=C3C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C2=C1	3567.0	Semi standard non polar	33892256
7-Hydroxyaloin B,6TMS,isomer #4	C[Si](C)(C)OCC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O)C(O[Si](C)(C)C)=CC=C3C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C2=C1	3587.1	Semi standard non polar	33892256
7-Hydroxyaloin B,6TMS,isomer #5	C[Si](C)(C)OCC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O[Si](C)(C)C)C(O)=CC=C3C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C2=C1	3561.7	Semi standard non polar	33892256
7-Hydroxyaloin B,6TMS,isomer #6	C[Si](C)(C)OCC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=CC=C3C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C2=C1	3606.1	Semi standard non polar	33892256
7-Hydroxyaloin B,6TMS,isomer #7	C[Si](C)(C)OCC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O)C(O[Si](C)(C)C)=CC=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2=C1	3595.9	Semi standard non polar	33892256
7-Hydroxyaloin B,6TMS,isomer #8	C[Si](C)(C)OCC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O[Si](C)(C)C)C(O)=CC=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2=C1	3562.2	Semi standard non polar	33892256
7-Hydroxyaloin B,6TMS,isomer #9	C[Si](C)(C)OCC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=CC=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C2=C1	3617.1	Semi standard non polar	33892256
7-Hydroxyaloin B,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O)=C3C(=O)C3=C2C=CC(O)=C3O)C(O)C(O)C1O	4282.2	Semi standard non polar	33892256
7-Hydroxyaloin B,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1C(O)C(O)C(CO)OC1C1C2=CC(CO)=CC(O)=C2C(=O)C2=C1C=CC(O)=C2O	4289.0	Semi standard non polar	33892256
7-Hydroxyaloin B,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(C2C3=CC(CO)=CC(O)=C3C(=O)C3=C2C=CC(O)=C3O)C1O	4303.8	Semi standard non polar	33892256
7-Hydroxyaloin B,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1C(CO)OC(C2C3=CC(CO)=CC(O)=C3C(=O)C3=C2C=CC(O)=C3O)C(O)C1O	4305.2	Semi standard non polar	33892256
7-Hydroxyaloin B,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=C(O)C=CC2=C1C(=O)C1=C(O)C=C(CO)C=C1C2C1OC(CO)C(O)C(O)C1O	4260.0	Semi standard non polar	33892256
7-Hydroxyaloin B,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=CC=C2C(=C1O)C(=O)C1=C(O)C=C(CO)C=C1C2C1OC(CO)C(O)C(O)C1O	4339.6	Semi standard non polar	33892256
7-Hydroxyaloin B,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O)C(O)=CC=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	4324.8	Semi standard non polar	33892256
7-Hydroxyaloin B,1TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1=CC(CO)=CC2=C1C(=O)C1=C(C=CC(O)=C1O)C2C1OC(CO)C(O)C(O)C1O	4294.9	Semi standard non polar	33892256
7-Hydroxyaloin B,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O)C(O)=CC=C3C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C2=C1	4405.2	Semi standard non polar	33892256
7-Hydroxyaloin B,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O)C(O)=CC=C3C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C2=C1	4394.6	Semi standard non polar	33892256
7-Hydroxyaloin B,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1=CC(CO)=CC2=C1C(=O)C1=C(C=CC(O)=C1O)C2C1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4376.7	Semi standard non polar	33892256
7-Hydroxyaloin B,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1=CC=C2C(=C1O)C(=O)C1=C(O)C=C(CO)C=C1C2C1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4424.8	Semi standard non polar	33892256
7-Hydroxyaloin B,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1=C(O)C=CC2=C1C(=O)C1=C(O)C=C(CO)C=C1C2C1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4347.4	Semi standard non polar	33892256
7-Hydroxyaloin B,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC1C(CO)OC(C2C3=CC(CO)=CC(O)=C3C(=O)C3=C2C=CC(O)=C3O)C(O)C1O[Si](C)(C)C(C)(C)C	4366.8	Semi standard non polar	33892256
7-Hydroxyaloin B,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O)C(O)=CC=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C2=C1	4383.3	Semi standard non polar	33892256
7-Hydroxyaloin B,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1=CC(CO)=CC2=C1C(=O)C1=C(C=CC(O)=C1O)C2C1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4368.0	Semi standard non polar	33892256
7-Hydroxyaloin B,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1=CC=C2C(=C1O)C(=O)C1=C(O)C=C(CO)C=C1C2C1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4409.7	Semi standard non polar	33892256
7-Hydroxyaloin B,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC1=C(O)C=CC2=C1C(=O)C1=C(O)C=C(CO)C=C1C2C1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4331.7	Semi standard non polar	33892256
7-Hydroxyaloin B,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O)C(O)=CC=C3C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C2=C1	4389.9	Semi standard non polar	33892256
7-Hydroxyaloin B,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C3=C2C=CC(O)=C3O)C(O)C(O)C1O	4382.4	Semi standard non polar	33892256
7-Hydroxyaloin B,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1=CC(CO)=CC2=C1C(=O)C1=C(C=CC(O)=C1O)C2C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4375.7	Semi standard non polar	33892256
7-Hydroxyaloin B,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1=CC=C2C(=C1O)C(=O)C1=C(O)C=C(CO)C=C1C2C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4421.2	Semi standard non polar	33892256
7-Hydroxyaloin B,2TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC1=C(O)C=CC2=C1C(=O)C1=C(O)C=C(CO)C=C1C2C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4345.6	Semi standard non polar	33892256
7-Hydroxyaloin B,2TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC1=CC=C2C(=C1O[Si](C)(C)C(C)(C)C)C(=O)C1=C(O)C=C(CO)C=C1C2C1OC(CO)C(O)C(O)C1O	4419.7	Semi standard non polar	33892256
7-Hydroxyaloin B,2TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC1=CC(CO)=CC2=C1C(=O)C1=C(C=CC(O)=C1O[Si](C)(C)C(C)(C)C)C2C1OC(CO)C(O)C(O)C1O	4414.5	Semi standard non polar	33892256
7-Hydroxyaloin B,2TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(O)=CC=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	4396.4	Semi standard non polar	33892256
7-Hydroxyaloin B,2TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC1=CC=C2C(=C1O)C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(CO)C=C1C2C1OC(CO)C(O)C(O)C1O	4466.2	Semi standard non polar	33892256
7-Hydroxyaloin B,2TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O)C(O[Si](C)(C)C(C)(C)C)=CC=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	4483.1	Semi standard non polar	33892256
7-Hydroxyaloin B,2TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OCC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=C(O)C(O)=CC=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	4426.5	Semi standard non polar	33892256
7-Hydroxyaloin B,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O)=C3C(=O)C3=C2C=CC(O[Si](C)(C)C(C)(C)C)=C3O)C(O)C(O)C1O	4430.4	Semi standard non polar	33892256
7-Hydroxyaloin B,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O)=C3C(=O)C3=C2C=CC(O)=C3O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	4342.4	Semi standard non polar	33892256
7-Hydroxyaloin B,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O)=C3C(=O)C3=C2C=CC(O)=C3O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4352.4	Semi standard non polar	33892256
7-Hydroxyaloin B,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O)=C3C(=O)C3=C2C=CC(O)=C3O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4372.5	Semi standard non polar	33892256
7-Hydroxyaloin B,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O)=C3C(=O)C3=C2C=CC(O)=C3O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4356.7	Semi standard non polar	33892256
7-Hydroxyaloin B,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(C2C3=CC(CO)=CC(O)=C3C(=O)C3=C2C=CC(O)=C3O)C1O[Si](C)(C)C(C)(C)C	4375.7	Semi standard non polar	33892256
7-Hydroxyaloin B,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1C(CO)OC(C2C3=CC(CO)=CC(O)=C3C(=O)C3=C2C=CC(O)=C3O)C(O[Si](C)(C)C(C)(C)C)C1O	4349.0	Semi standard non polar	33892256
7-Hydroxyaloin B,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=C(O)C(O)=CC=C3C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C2=C1	4502.8	Semi standard non polar	33892256
7-Hydroxyaloin B,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C3=C2C=CC(O)=C3O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4468.3	Semi standard non polar	33892256
7-Hydroxyaloin B,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C3=C2C=CC(O)=C3O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4458.6	Semi standard non polar	33892256
7-Hydroxyaloin B,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O)=C3C(=O)C3=C2C=CC(O[Si](C)(C)C(C)(C)C)=C3O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	4501.9	Semi standard non polar	33892256
7-Hydroxyaloin B,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O)=C3C(=O)C3=C2C=CC(O[Si](C)(C)C(C)(C)C)=C3O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4499.7	Semi standard non polar	33892256
7-Hydroxyaloin B,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O)=C3C(=O)C3=C2C=CC(O[Si](C)(C)C(C)(C)C)=C3O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4511.1	Semi standard non polar	33892256
7-Hydroxyaloin B,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O)=C3C(=O)C3=C2C=CC(O[Si](C)(C)C(C)(C)C)=C3O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4508.2	Semi standard non polar	33892256
7-Hydroxyaloin B,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O)=C3C(=O)C3=C2C=CC(O)=C3O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4413.7	Semi standard non polar	33892256
7-Hydroxyaloin B,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O)=C3C(=O)C3=C2C=CC(O)=C3O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4427.1	Semi standard non polar	33892256
7-Hydroxyaloin B,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O)=C3C(=O)C3=C2C=CC(O)=C3O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4422.6	Semi standard non polar	33892256
7-Hydroxyaloin B,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O)=C3C(=O)C3=C2C=CC(O)=C3O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	4465.8	Semi standard non polar	33892256
7-Hydroxyaloin B,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O)C(O)=CC=C3C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C2=C1	4476.9	Semi standard non polar	33892256
7-Hydroxyaloin B,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O)=C3C(=O)C3=C2C=CC(O)=C3O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4465.6	Semi standard non polar	33892256
7-Hydroxyaloin B,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O)=C3C(=O)C3=C2C=CC(O)=C3O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4479.6	Semi standard non polar	33892256
7-Hydroxyaloin B,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC1C(CO)OC(C2C3=CC(CO)=CC(O)=C3C(=O)C3=C2C=CC(O)=C3O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4468.8	Semi standard non polar	33892256
7-Hydroxyaloin B,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O)C(O)=CC=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C2=C1	4468.2	Semi standard non polar	33892256
7-Hydroxyaloin B,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC1=CC(CO)=CC2=C1C(=O)C1=C(C=CC(O)=C1O)C2C1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4474.5	Semi standard non polar	33892256
7-Hydroxyaloin B,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC1=CC=C2C(=C1O)C(=O)C1=C(O)C=C(CO)C=C1C2C1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4503.2	Semi standard non polar	33892256
7-Hydroxyaloin B,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC1=C(O)C=CC2=C1C(=O)C1=C(O)C=C(CO)C=C1C2C1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4426.9	Semi standard non polar	33892256
7-Hydroxyaloin B,3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O)C(O)=CC=C3C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C2=C1	4457.2	Semi standard non polar	33892256
7-Hydroxyaloin B,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC1=CC(CO)=CC2=C1C(=O)C1=C(C=CC(O)=C1O)C2C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4454.7	Semi standard non polar	33892256
7-Hydroxyaloin B,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC1=CC=C2C(=C1O)C(=O)C1=C(O)C=C(CO)C=C1C2C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4487.9	Semi standard non polar	33892256
7-Hydroxyaloin B,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O)C(O)=CC=C3C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C2=C1	4476.8	Semi standard non polar	33892256
7-Hydroxyaloin B,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC1=C(O)C=CC2=C1C(=O)C1=C(O)C=C(CO)C=C1C2C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4416.5	Semi standard non polar	33892256
7-Hydroxyaloin B,3TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OCC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=C(O)C(O)=CC=C3C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C2=C1	4502.5	Semi standard non polar	33892256
7-Hydroxyaloin B,3TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O)C(O[Si](C)(C)C(C)(C)C)=CC=C3C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C2=C1	4542.2	Semi standard non polar	33892256
7-Hydroxyaloin B,3TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(O)=CC=C3C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C2=C1	4455.5	Semi standard non polar	33892256
7-Hydroxyaloin B,3TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC1=CC=C2C(=C1O)C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(CO)C=C1C2C1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4546.6	Semi standard non polar	33892256
7-Hydroxyaloin B,3TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC1=CC(CO)=CC2=C1C(=O)C1=C(C=CC(O)=C1O[Si](C)(C)C(C)(C)C)C2C1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4478.8	Semi standard non polar	33892256
7-Hydroxyaloin B,3TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OC1=CC=C2C(=C1O[Si](C)(C)C(C)(C)C)C(=O)C1=C(O)C=C(CO)C=C1C2C1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4503.7	Semi standard non polar	33892256
7-Hydroxyaloin B,3TBDMS,isomer #37	CC(C)(C)[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O)C(O)=CC=C3C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)C2=C1	4462.1	Semi standard non polar	33892256
7-Hydroxyaloin B,3TBDMS,isomer #38	CC(C)(C)[Si](C)(C)OC1=CC(CO)=CC2=C1C(=O)C1=C(C=CC(O)=C1O)C2C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	4466.8	Semi standard non polar	33892256
7-Hydroxyaloin B,3TBDMS,isomer #39	CC(C)(C)[Si](C)(C)OC1=CC=C2C(=C1O)C(=O)C1=C(O)C=C(CO)C=C1C2C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	4500.6	Semi standard non polar	33892256
7-Hydroxyaloin B,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O)C(O)=CC=C3C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C2=C1	4463.6	Semi standard non polar	33892256
7-Hydroxyaloin B,3TBDMS,isomer #40	CC(C)(C)[Si](C)(C)OC1=C(O)C=CC2=C1C(=O)C1=C(O)C=C(CO)C=C1C2C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	4419.9	Semi standard non polar	33892256
7-Hydroxyaloin B,3TBDMS,isomer #41	CC(C)(C)[Si](C)(C)OCC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=C(O)C(O)=CC=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C2=C1	4483.8	Semi standard non polar	33892256
7-Hydroxyaloin B,3TBDMS,isomer #42	CC(C)(C)[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O)C(O[Si](C)(C)C(C)(C)C)=CC=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C2=C1	4546.9	Semi standard non polar	33892256
7-Hydroxyaloin B,3TBDMS,isomer #43	CC(C)(C)[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(O)=CC=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C2=C1	4458.7	Semi standard non polar	33892256
7-Hydroxyaloin B,3TBDMS,isomer #44	CC(C)(C)[Si](C)(C)OC1=CC=C2C(=C1O)C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(CO)C=C1C2C1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4526.8	Semi standard non polar	33892256
7-Hydroxyaloin B,3TBDMS,isomer #45	CC(C)(C)[Si](C)(C)OC1=CC(CO)=CC2=C1C(=O)C1=C(C=CC(O)=C1O[Si](C)(C)C(C)(C)C)C2C1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4464.4	Semi standard non polar	33892256
7-Hydroxyaloin B,3TBDMS,isomer #46	CC(C)(C)[Si](C)(C)OC1=CC=C2C(=C1O[Si](C)(C)C(C)(C)C)C(=O)C1=C(O)C=C(CO)C=C1C2C1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4490.2	Semi standard non polar	33892256
7-Hydroxyaloin B,3TBDMS,isomer #47	CC(C)(C)[Si](C)(C)OCC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=C(O)C(O)=CC=C3C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C2=C1	4495.1	Semi standard non polar	33892256
7-Hydroxyaloin B,3TBDMS,isomer #48	CC(C)(C)[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O)C(O[Si](C)(C)C(C)(C)C)=CC=C3C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C2=C1	4538.2	Semi standard non polar	33892256
7-Hydroxyaloin B,3TBDMS,isomer #49	CC(C)(C)[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(O)=CC=C3C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C2=C1	4455.9	Semi standard non polar	33892256
7-Hydroxyaloin B,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O)C(O[Si](C)(C)C(C)(C)C)=CC=C3C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C2=C1	4553.8	Semi standard non polar	33892256
7-Hydroxyaloin B,3TBDMS,isomer #50	CC(C)(C)[Si](C)(C)OC1=CC=C2C(=C1O)C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(CO)C=C1C2C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4543.5	Semi standard non polar	33892256
7-Hydroxyaloin B,3TBDMS,isomer #51	CC(C)(C)[Si](C)(C)OC1=CC(CO)=CC2=C1C(=O)C1=C(C=CC(O)=C1O[Si](C)(C)C(C)(C)C)C2C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4477.1	Semi standard non polar	33892256
7-Hydroxyaloin B,3TBDMS,isomer #52	CC(C)(C)[Si](C)(C)OC1=CC=C2C(=C1O[Si](C)(C)C(C)(C)C)C(=O)C1=C(O)C=C(CO)C=C1C2C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4504.3	Semi standard non polar	33892256
7-Hydroxyaloin B,3TBDMS,isomer #53	CC(C)(C)[Si](C)(C)OC1=CC=C2C(=C1O[Si](C)(C)C(C)(C)C)C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(CO)C=C1C2C1OC(CO)C(O)C(O)C1O	4591.9	Semi standard non polar	33892256
7-Hydroxyaloin B,3TBDMS,isomer #54	CC(C)(C)[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=CC=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	4566.7	Semi standard non polar	33892256
7-Hydroxyaloin B,3TBDMS,isomer #55	CC(C)(C)[Si](C)(C)OCC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(O)=CC=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	4533.5	Semi standard non polar	33892256
7-Hydroxyaloin B,3TBDMS,isomer #56	CC(C)(C)[Si](C)(C)OCC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=C(O)C(O[Si](C)(C)C(C)(C)C)=CC=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	4606.9	Semi standard non polar	33892256
7-Hydroxyaloin B,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(O)=CC=C3C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C2=C1	4461.4	Semi standard non polar	33892256
7-Hydroxyaloin B,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C3=C2C=CC(O[Si](C)(C)C(C)(C)C)=C3O)C(O)C(O)C1O	4538.9	Semi standard non polar	33892256
7-Hydroxyaloin B,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C3=C2C=CC(O)=C3O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	4469.3	Semi standard non polar	33892256
7-Hydroxyaloin B,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C3=C2C=CC(O)=C3O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4456.1	Semi standard non polar	33892256
7-Hydroxyaloin B,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=C(O)C(O)=CC=C3C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C2=C1	4531.6	Semi standard non polar	33892256
7-Hydroxyaloin B,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O)C(O)=CC=C3C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C2=C1	4548.6	Semi standard non polar	33892256
7-Hydroxyaloin B,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O)C(O[Si](C)(C)C(C)(C)C)=CC=C3C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C2=C1	4633.5	Semi standard non polar	33892256
7-Hydroxyaloin B,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(O)=CC=C3C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C2=C1	4544.1	Semi standard non polar	33892256
7-Hydroxyaloin B,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O)C(O[Si](C)(C)C(C)(C)C)=CC=C3C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C2=C1	4598.3	Semi standard non polar	33892256
7-Hydroxyaloin B,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(O)=CC=C3C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C2=C1	4507.8	Semi standard non polar	33892256
7-Hydroxyaloin B,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=CC=C3C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C2=C1	4578.4	Semi standard non polar	33892256
7-Hydroxyaloin B,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C3=C2C=CC(O[Si](C)(C)C(C)(C)C)=C3O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	4586.9	Semi standard non polar	33892256
7-Hydroxyaloin B,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C3=C2C=CC(O[Si](C)(C)C(C)(C)C)=C3O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4586.8	Semi standard non polar	33892256
7-Hydroxyaloin B,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C3=C2C=CC(O[Si](C)(C)C(C)(C)C)=C3O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4614.5	Semi standard non polar	33892256
7-Hydroxyaloin B,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C3=C2C=CC(O[Si](C)(C)C(C)(C)C)=C3O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4594.9	Semi standard non polar	33892256
7-Hydroxyaloin B,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=C(O)C(O)=CC=C3C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C2=C1	4549.5	Semi standard non polar	33892256
7-Hydroxyaloin B,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C3=C2C=CC(O)=C3O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4504.8	Semi standard non polar	33892256
7-Hydroxyaloin B,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C3=C2C=CC(O)=C3O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4526.7	Semi standard non polar	33892256
7-Hydroxyaloin B,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C3=C2C=CC(O)=C3O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4511.6	Semi standard non polar	33892256
7-Hydroxyaloin B,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C3=C2C=CC(O)=C3O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	4532.6	Semi standard non polar	33892256
7-Hydroxyaloin B,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C3=C2C=CC(O)=C3O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4510.4	Semi standard non polar	33892256
7-Hydroxyaloin B,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C3=C2C=CC(O)=C3O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4540.5	Semi standard non polar	33892256
7-Hydroxyaloin B,4TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O)=C3C(=O)C3=C2C=CC(O[Si](C)(C)C(C)(C)C)=C3O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4542.8	Semi standard non polar	33892256
7-Hydroxyaloin B,4TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O)=C3C(=O)C3=C2C=CC(O[Si](C)(C)C(C)(C)C)=C3O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4569.3	Semi standard non polar	33892256
7-Hydroxyaloin B,4TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O)=C3C(=O)C3=C2C=CC(O[Si](C)(C)C(C)(C)C)=C3O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4554.4	Semi standard non polar	33892256
7-Hydroxyaloin B,4TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O)=C3C(=O)C3=C2C=CC(O[Si](C)(C)C(C)(C)C)=C3O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	4612.0	Semi standard non polar	33892256
7-Hydroxyaloin B,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=C(O)C(O)=CC=C3C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C2=C1	4525.0	Semi standard non polar	33892256
7-Hydroxyaloin B,4TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O)=C3C(=O)C3=C2C=CC(O[Si](C)(C)C(C)(C)C)=C3O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4590.3	Semi standard non polar	33892256
7-Hydroxyaloin B,4TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O)=C3C(=O)C3=C2C=CC(O[Si](C)(C)C(C)(C)C)=C3O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4623.0	Semi standard non polar	33892256
7-Hydroxyaloin B,4TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O)=C3C(=O)C3=C2C=CC(O)=C3O[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)C1O	4517.0	Semi standard non polar	33892256
7-Hydroxyaloin B,4TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O)=C3C(=O)C3=C2C=CC(O)=C3O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4498.8	Semi standard non polar	33892256
7-Hydroxyaloin B,4TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O)=C3C(=O)C3=C2C=CC(O)=C3O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4523.0	Semi standard non polar	33892256
7-Hydroxyaloin B,4TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OCC1OC(C2C3=CC(CO)=CC(O)=C3C(=O)C3=C2C=CC(O)=C3O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4551.5	Semi standard non polar	33892256
7-Hydroxyaloin B,4TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O)C(O)=CC=C3C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C2=C1	4517.6	Semi standard non polar	33892256
7-Hydroxyaloin B,4TBDMS,isomer #37	CC(C)(C)[Si](C)(C)OC1=CC(CO)=CC2=C1C(=O)C1=C(C=CC(O)=C1O)C2C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4519.5	Semi standard non polar	33892256
7-Hydroxyaloin B,4TBDMS,isomer #38	CC(C)(C)[Si](C)(C)OC1=CC=C2C(=C1O)C(=O)C1=C(O)C=C(CO)C=C1C2C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4583.5	Semi standard non polar	33892256
7-Hydroxyaloin B,4TBDMS,isomer #39	CC(C)(C)[Si](C)(C)OC1=C(O)C=CC2=C1C(=O)C1=C(O)C=C(CO)C=C1C2C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4497.9	Semi standard non polar	33892256
7-Hydroxyaloin B,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=C(O)C(O[Si](C)(C)C(C)(C)C)=CC=C3C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C2=C1	4607.7	Semi standard non polar	33892256
7-Hydroxyaloin B,4TBDMS,isomer #40	CC(C)(C)[Si](C)(C)OCC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=C(O)C(O)=CC=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C2=C1	4512.2	Semi standard non polar	33892256
7-Hydroxyaloin B,4TBDMS,isomer #41	CC(C)(C)[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O)C(O[Si](C)(C)C(C)(C)C)=CC=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C2=C1	4603.8	Semi standard non polar	33892256
7-Hydroxyaloin B,4TBDMS,isomer #42	CC(C)(C)[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(O)=CC=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C2=C1	4511.0	Semi standard non polar	33892256
7-Hydroxyaloin B,4TBDMS,isomer #43	CC(C)(C)[Si](C)(C)OC1=CC=C2C(=C1O)C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(CO)C=C1C2C1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4590.4	Semi standard non polar	33892256
7-Hydroxyaloin B,4TBDMS,isomer #44	CC(C)(C)[Si](C)(C)OC1=CC(CO)=CC2=C1C(=O)C1=C(C=CC(O)=C1O[Si](C)(C)C(C)(C)C)C2C1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4509.5	Semi standard non polar	33892256
7-Hydroxyaloin B,4TBDMS,isomer #45	CC(C)(C)[Si](C)(C)OC1=CC=C2C(=C1O[Si](C)(C)C(C)(C)C)C(=O)C1=C(O)C=C(CO)C=C1C2C1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4544.5	Semi standard non polar	33892256
7-Hydroxyaloin B,4TBDMS,isomer #46	CC(C)(C)[Si](C)(C)OCC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=C(O)C(O)=CC=C3C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C2=C1	4504.8	Semi standard non polar	33892256
7-Hydroxyaloin B,4TBDMS,isomer #47	CC(C)(C)[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O)C(O[Si](C)(C)C(C)(C)C)=CC=C3C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C2=C1	4590.5	Semi standard non polar	33892256
7-Hydroxyaloin B,4TBDMS,isomer #48	CC(C)(C)[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(O)=CC=C3C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C2=C1	4506.0	Semi standard non polar	33892256
7-Hydroxyaloin B,4TBDMS,isomer #49	CC(C)(C)[Si](C)(C)OC1=CC=C2C(=C1O)C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(CO)C=C1C2C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4578.3	Semi standard non polar	33892256
7-Hydroxyaloin B,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(O)=CC=C3C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C2=C1	4529.4	Semi standard non polar	33892256
7-Hydroxyaloin B,4TBDMS,isomer #50	CC(C)(C)[Si](C)(C)OC1=CC(CO)=CC2=C1C(=O)C1=C(C=CC(O)=C1O[Si](C)(C)C(C)(C)C)C2C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4505.8	Semi standard non polar	33892256
7-Hydroxyaloin B,4TBDMS,isomer #51	CC(C)(C)[Si](C)(C)OC1=CC=C2C(=C1O[Si](C)(C)C(C)(C)C)C(=O)C1=C(O)C=C(CO)C=C1C2C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4534.6	Semi standard non polar	33892256
7-Hydroxyaloin B,4TBDMS,isomer #52	CC(C)(C)[Si](C)(C)OCC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=C(O)C(O[Si](C)(C)C(C)(C)C)=CC=C3C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C2=C1	4617.3	Semi standard non polar	33892256
7-Hydroxyaloin B,4TBDMS,isomer #53	CC(C)(C)[Si](C)(C)OCC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(O)=CC=C3C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C2=C1	4533.5	Semi standard non polar	33892256
7-Hydroxyaloin B,4TBDMS,isomer #54	CC(C)(C)[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=CC=C3C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C2=C1	4574.3	Semi standard non polar	33892256
7-Hydroxyaloin B,4TBDMS,isomer #55	CC(C)(C)[Si](C)(C)OC1=CC=C2C(=C1O[Si](C)(C)C(C)(C)C)C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(CO)C=C1C2C1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4598.0	Semi standard non polar	33892256
7-Hydroxyaloin B,4TBDMS,isomer #56	CC(C)(C)[Si](C)(C)OCC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=C(O)C(O)=CC=C3C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)C2=C1	4509.0	Semi standard non polar	33892256
7-Hydroxyaloin B,4TBDMS,isomer #57	CC(C)(C)[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O)C(O[Si](C)(C)C(C)(C)C)=CC=C3C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)C2=C1	4598.0	Semi standard non polar	33892256
7-Hydroxyaloin B,4TBDMS,isomer #58	CC(C)(C)[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(O)=CC=C3C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)C2=C1	4503.3	Semi standard non polar	33892256
7-Hydroxyaloin B,4TBDMS,isomer #59	CC(C)(C)[Si](C)(C)OC1=CC=C2C(=C1O)C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(CO)C=C1C2C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	4583.4	Semi standard non polar	33892256
7-Hydroxyaloin B,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O)C(O)=CC=C3C(C3OC(CO[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)C3O)C2=C1	4558.4	Semi standard non polar	33892256
7-Hydroxyaloin B,4TBDMS,isomer #60	CC(C)(C)[Si](C)(C)OC1=CC(CO)=CC2=C1C(=O)C1=C(C=CC(O)=C1O[Si](C)(C)C(C)(C)C)C2C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	4499.2	Semi standard non polar	33892256
7-Hydroxyaloin B,4TBDMS,isomer #61	CC(C)(C)[Si](C)(C)OC1=CC=C2C(=C1O[Si](C)(C)C(C)(C)C)C(=O)C1=C(O)C=C(CO)C=C1C2C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	4537.1	Semi standard non polar	33892256
7-Hydroxyaloin B,4TBDMS,isomer #62	CC(C)(C)[Si](C)(C)OCC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=C(O)C(O[Si](C)(C)C(C)(C)C)=CC=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C2=C1	4627.0	Semi standard non polar	33892256
7-Hydroxyaloin B,4TBDMS,isomer #63	CC(C)(C)[Si](C)(C)OCC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(O)=CC=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C2=C1	4546.1	Semi standard non polar	33892256
7-Hydroxyaloin B,4TBDMS,isomer #64	CC(C)(C)[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=CC=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C2=C1	4578.7	Semi standard non polar	33892256
7-Hydroxyaloin B,4TBDMS,isomer #65	CC(C)(C)[Si](C)(C)OC1=CC=C2C(=C1O[Si](C)(C)C(C)(C)C)C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(CO)C=C1C2C1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4582.5	Semi standard non polar	33892256
7-Hydroxyaloin B,4TBDMS,isomer #66	CC(C)(C)[Si](C)(C)OCC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=C(O)C(O[Si](C)(C)C(C)(C)C)=CC=C3C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C2=C1	4614.2	Semi standard non polar	33892256
7-Hydroxyaloin B,4TBDMS,isomer #67	CC(C)(C)[Si](C)(C)OCC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(O)=CC=C3C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C2=C1	4534.2	Semi standard non polar	33892256
7-Hydroxyaloin B,4TBDMS,isomer #68	CC(C)(C)[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=CC=C3C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C2=C1	4574.4	Semi standard non polar	33892256
7-Hydroxyaloin B,4TBDMS,isomer #69	CC(C)(C)[Si](C)(C)OC1=CC=C2C(=C1O[Si](C)(C)C(C)(C)C)C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(CO)C=C1C2C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4594.9	Semi standard non polar	33892256
7-Hydroxyaloin B,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O)C(O)=CC=C3C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C2=C1	4531.2	Semi standard non polar	33892256
7-Hydroxyaloin B,4TBDMS,isomer #70	CC(C)(C)[Si](C)(C)OCC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=CC=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	4649.0	Semi standard non polar	33892256
7-Hydroxyaloin B,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O)C(O[Si](C)(C)C(C)(C)C)=CC=C3C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C2=C1	4612.4	Semi standard non polar	33892256
7-Hydroxyaloin B,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OCC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(O)=CC=C3C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C2=C1	4519.7	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 - 7-Hydroxyaloin B GC-MS (Non-derivatized) - 70eV, Positive	splash10-00di-5519600000-8b6b66dd5b51e47f7579	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7-Hydroxyaloin B GC-MS (3 TMS) - 70eV, Positive	splash10-000i-3610948000-aa1dd4aa8d34c2b8c4b6	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7-Hydroxyaloin B GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7-Hydroxyaloin B GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7-Hydroxyaloin B GC-MS (TMS_3_23) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7-Hydroxyaloin B GC-MS (TMS_3_24) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7-Hydroxyaloin B GC-MS (TMS_3_25) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7-Hydroxyaloin B GC-MS (TMS_3_26) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7-Hydroxyaloin B GC-MS (TMS_4_10) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7-Hydroxyaloin B GC-MS (TMS_4_36) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7-Hydroxyaloin B GC-MS (TMS_4_37) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7-Hydroxyaloin B GC-MS (TMS_4_38) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7-Hydroxyaloin B GC-MS (TMS_4_39) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7-Hydroxyaloin B GC-MS (TMS_4_40) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7-Hydroxyaloin B GC-MS (TMS_4_41) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7-Hydroxyaloin B GC-MS (TMS_4_42) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7-Hydroxyaloin B GC-MS (TMS_4_43) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7-Hydroxyaloin B GC-MS (TMS_4_44) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7-Hydroxyaloin B GC-MS (TMS_4_45) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7-Hydroxyaloin B GC-MS (TMS_5_5) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7-Hydroxyaloin B GC-MS (TMS_5_11) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7-Hydroxyaloin B GC-MS (TMS_5_17) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7-Hydroxyaloin B GC-MS (TMS_5_18) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7-Hydroxyaloin B GC-MS (TMS_5_36) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7-Hydroxyaloin B GC-MS (TMS_5_37) - 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 - 7-Hydroxyaloin B 10V, Positive-QTOF	splash10-014r-0021900000-f2dabc3858c5356a1fef	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 7-Hydroxyaloin B 20V, Positive-QTOF	splash10-014s-2486900000-6cd7129e1ff4adf18eb0	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 7-Hydroxyaloin B 40V, Positive-QTOF	splash10-0f8a-2096100000-35cda7375e7e267986d4	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 7-Hydroxyaloin B 10V, Negative-QTOF	splash10-001i-0002900000-0f58df5d26a4cf85f47e	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 7-Hydroxyaloin B 20V, Negative-QTOF	splash10-0fz9-6326900000-f4c70c32c0d0d9b8e5ae	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 7-Hydroxyaloin B 40V, Negative-QTOF	splash10-0596-9065100000-a6e88ef02664d109f361	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 7-Hydroxyaloin B 10V, Positive-QTOF	splash10-000i-0061900000-7420c441a0c6589ae795	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 7-Hydroxyaloin B 20V, Positive-QTOF	splash10-0ab9-0190100000-a7a571521bd93a5d98c2	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 7-Hydroxyaloin B 40V, Positive-QTOF	splash10-000i-5292000000-e635a701ee2098e9b03f	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 7-Hydroxyaloin B 10V, Negative-QTOF	splash10-001i-0002900000-876f577ba029bee9c367	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 7-Hydroxyaloin B 20V, Negative-QTOF	splash10-00ls-1037900000-5c01754924d36279a9c6	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 7-Hydroxyaloin B 40V, Negative-QTOF	splash10-0udl-2091000000-c7c02cc8d9cf033e9181	2021-09-23	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

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

FDB021037

KNApSAcK ID

Not Available

Chemspider ID

26503423

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

53462673

PDB ID

Not Available

ChEBI ID

Not Available

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

(). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .

Showing metabocard for 7-Hydroxyaloin B (HMDB0041150)

MOL for HMDB0041150 (7-Hydroxyaloin B)

3D MOL for HMDB0041150 (7-Hydroxyaloin B)

3D SDF for HMDB0041150 (7-Hydroxyaloin B)

3D-SDF for HMDB0041150 (7-Hydroxyaloin B)

PDB for HMDB0041150 (7-Hydroxyaloin B)

3D PDB for HMDB0041150 (7-Hydroxyaloin B)

SMILES for HMDB0041150 (7-Hydroxyaloin B)

INCHI for HMDB0041150 (7-Hydroxyaloin B)

Structure for HMDB0041150 (7-Hydroxyaloin B)

3D Structure for HMDB0041150 (7-Hydroxyaloin B)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra