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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 22:45:26 UTC

Update Date

2022-03-07 02:55:22 UTC

HMDB ID

HMDB0037506

Secondary Accession Numbers

HMDB37506

Metabolite Identification

Common Name

Pinobanksin 5-[galactosyl-(1->4)-glucoside]

Description

Pinobanksin 5-[galactosyl-(1->4)-glucoside] belongs to the class of organic compounds known as flavonoid o-glycosides. Flavonoid O-glycosides are compounds containing a carbohydrate moiety which is O-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone. Pinobanksin 5-[galactosyl-(1->4)-glucoside] has been detected, but not quantified in, fruits. This could make pinobanksin 5-[galactosyl-(1->4)-glucoside] a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Pinobanksin 5-[galactosyl-(1->4)-glucoside].

Structure

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


  Mrv0541 05061309492D          

 42 46  0  0  0  0            999 V2000
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5724   -0.4125    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
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
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 41 15  1  0  0  0  0
 41 26  1  0  0  0  0
 42 25  1  0  0  0  0
 42 27  1  0  0  0  0
M  END

HMDB0037506
     RDKit          3D
Pinobanksin 5-[galactosyl-(1->4)-glucoside]
 74 78  0  0  0  0  0  0  0  0999 V2000
   -2.8180   -1.0242    0.2419 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8414   -0.3453   -0.0069 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9720    0.9481    0.9080 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3081    0.4581    2.2860 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6179    0.3701    2.5962 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6131    0.2704   -0.2223 C   0  0  0  0  0  0  0  0  0  0  0  0
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 42 74  1  0
M  END


  Mrv0541 05061309492D          

 42 46  0  0  0  0            999 V2000
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   -4.2868   -6.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
 10  4  2  0  0  0  0
 10  5  1  0  0  0  0
 11  6  2  0  0  0  0
 11  7  1  0  0  0  0
 12  6  1  0  0  0  0
 13  7  2  0  0  0  0
 14  8  1  0  0  0  0
 15  9  1  0  0  0  0
 16 12  2  0  0  0  0
 16 13  1  0  0  0  0
 17 14  1  0  0  0  0
 18 16  1  0  0  0  0
 19 17  1  0  0  0  0
 20 18  1  0  0  0  0
 22 19  1  0  0  0  0
 23 21  1  0  0  0  0
 24 10  1  0  0  0  0
 24 20  1  0  0  0  0
 25 15  1  0  0  0  0
 25 21  1  0  0  0  0
 26 23  1  0  0  0  0
 27 22  1  0  0  0  0
 28  8  1  0  0  0  0
 29  9  1  0  0  0  0
 30 11  1  0  0  0  0
 31 17  1  0  0  0  0
 32 18  2  0  0  0  0
 33 19  1  0  0  0  0
 34 20  1  0  0  0  0
 35 21  1  0  0  0  0
 36 22  1  0  0  0  0
 37 23  1  0  0  0  0
 38 12  1  0  0  0  0
 38 24  1  0  0  0  0
 39 13  1  0  0  0  0
 39 26  1  0  0  0  0
 40 14  1  0  0  0  0
 40 27  1  0  0  0  0
 41 15  1  0  0  0  0
 41 26  1  0  0  0  0
 42 25  1  0  0  0  0
 42 27  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0037506

> <DATABASE_NAME>
hmdb

> <SMILES>
OCC1OC(OC2C(O)C(O)C(OC3=CC(O)=CC4=C3C(=O)C(O)C(O4)C3=CC=CC=C3)OC2CO)C(O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C27H32O15/c28-8-14-17(31)19(33)22(36)27(40-14)42-25-15(9-29)41-26(23(37)21(25)35)39-13-7-11(30)6-12-16(13)18(32)20(34)24(38-12)10-4-2-1-3-5-10/h1-7,14-15,17,19-31,33-37H,8-9H2

> <INCHI_KEY>
BEMHMJYMGFZFFQ-UHFFFAOYSA-N

> <FORMULA>
C27H32O15

> <MOLECULAR_WEIGHT>
596.534

> <EXACT_MASS>
596.174120354

> <JCHEM_ACCEPTOR_COUNT>
15

> <JCHEM_AVERAGE_POLARIZABILITY>
58.242275308536

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
9

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
5-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,7-dihydroxy-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one

> <ALOGPS_LOGP>
-0.87

> <JCHEM_LOGP>
-2.2653888276666656

> <ALOGPS_LOGS>
-1.80

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
11.744312584437877

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.70535868762913

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9813868626100772

> <JCHEM_POLAR_SURFACE_AREA>
245.28999999999994

> <JCHEM_REFRACTIVITY>
135.20479999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
9.37e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,7-dihydroxy-2-phenyl-2,3-dihydro-1-benzopyran-4-one

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0037506
     RDKit          3D
Pinobanksin 5-[galactosyl-(1->4)-glucoside]
 74 78  0  0  0  0  0  0  0  0999 V2000
   -2.8180   -1.0242    0.2419 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8414   -0.3453   -0.0069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7153    1.0813   -0.1873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4597    1.7049   -0.3007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3645    0.9213   -0.2348 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0046    1.2388   -0.3282 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5831    0.9373    0.8779 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9720    0.9481    0.9080 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3081    0.4581    2.2860 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6179    0.3701    2.5962 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6131    0.2704   -0.2223 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8305   -0.2292   -0.1119 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9526    0.0557   -0.6852 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9816    0.5955    0.1009 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6313   -0.3728    0.8411 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6149    0.1748    1.8162 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6290    0.9099    1.2420 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3135   -1.4058   -0.0379 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9566   -2.3732    0.7002 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1915   -2.1107   -0.7998 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6819   -3.0894   -1.6310 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5303   -1.0097   -1.6329 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5435   -0.4495   -2.4126 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5854   -0.5878   -0.9408 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8994   -1.4378   -0.1264 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5391    0.4120   -1.4726 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4508   -0.1875   -2.2034 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3570    3.0616   -0.4727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5232    3.7947   -0.5305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4879    5.1714   -0.7026 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7734    3.1842   -0.4186 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8658    1.8396   -0.2488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0693    1.1530   -0.1302 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2263   -0.1649   -0.6430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5866   -0.6565   -0.3376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8166   -1.9562    0.0440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0923   -2.4232    0.3407 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1690   -1.5718    0.2548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9566   -0.2669   -0.1258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6893    0.1850   -0.4174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1408   -1.0740   -0.1008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4917   -1.3625    1.2356 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0677    2.3208   -0.5263 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2624    2.0428    0.9048 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8078   -0.5286    2.5116 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8222    1.1724    2.9871 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8336    0.8505    3.4157 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7890    1.0762   -0.9871 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7632    0.8984   -1.4013 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8540   -0.9242    1.4203 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0862    0.7652    2.6190 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0687   -0.6833    2.3571 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7461    1.7304    1.7692 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0085   -0.9475   -0.7477 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3630   -2.6618    1.4641 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4488   -2.4985   -0.0633 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6473   -3.2210   -1.3971 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7901   -1.4373   -2.2841 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1477   -1.1583   -2.7354 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0672   -1.1314   -1.7490 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1922   -2.3691   -0.1262 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0980    1.1019   -2.1328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2445   -1.1215   -2.4978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4408    3.6221   -0.5690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4511    5.7342    0.1376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6819    3.7701   -0.4656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0938   -0.0992   -1.7411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0339   -2.6696    0.1280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2513   -3.4517    0.6381 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1615   -1.9230    0.4837 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8122    0.4043   -0.1933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5616    1.2148   -0.7124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0804   -2.0127   -0.6418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1257   -2.2343    1.5246 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
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  8 11  1  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
 11 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
  4 28  1  0
 28 29  2  0
 29 30  1  0
 29 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  2  0
 36 37  1  0
 37 38  2  0
 38 39  1  0
 39 40  2  0
 34 41  1  0
 41 42  1  0
 41  2  1  0
 32  3  1  0
 40 35  1  0
 26  6  1  0
 22 13  1  0
  6 43  1  0
  8 44  1  0
  9 45  1  0
  9 46  1  0
 10 47  1  0
 11 48  1  0
 13 49  1  0
 15 50  1  0
 16 51  1  0
 16 52  1  0
 17 53  1  0
 18 54  1  0
 19 55  1  0
 20 56  1  0
 21 57  1  0
 22 58  1  0
 23 59  1  0
 24 60  1  0
 25 61  1  0
 26 62  1  0
 27 63  1  0
 28 64  1  0
 30 65  1  0
 31 66  1  0
 34 67  1  0
 36 68  1  0
 37 69  1  0
 38 70  1  0
 39 71  1  0
 40 72  1  0
 41 73  1  0
 42 74  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       8.002   1.540   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       8.002   0.000   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       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -2.667 -12.320   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -5.335  -4.620   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -4.001 -11.550   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -4.001  -5.390   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      -5.335 -12.320   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -6.668 -11.550   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -2.667  -7.700   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -6.668 -10.010   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -1.334  -6.930   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -4.001  -6.930   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -1.334  -5.390   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -5.335  -9.240   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      -2.667 -13.860   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0      -5.335  -3.080   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0      -2.667   0.000   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0      -5.335 -13.860   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0       2.667  -4.620   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0      -8.002 -12.320   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0       5.335  -3.080   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0      -2.667  -9.240   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0      -8.002  -9.240   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0       0.000  -7.700   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0       2.667   0.000   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0       0.000  -4.620   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0      -4.001 -10.010   0.000  0.00  0.00           O+0
HETATM   41  O   UNK     0      -2.667  -4.620   0.000  0.00  0.00           O+0
HETATM   42  O   UNK     0      -5.335  -7.700   0.000  0.00  0.00           O+0
CONECT    1    2    3                                                       
CONECT    2    1    4                                                       
CONECT    3    1    5                                                       
CONECT    4    2   10                                                       
CONECT    5    3   10                                                       
CONECT    6   11   12                                                       
CONECT    7   11   13                                                       
CONECT    8   14   28                                                       
CONECT    9   15   29                                                       
CONECT   10    4    5   24                                                  
CONECT   11    6    7   30                                                  
CONECT   12    6   16   38                                                  
CONECT   13    7   16   39                                                  
CONECT   14    8   17   40                                                  
CONECT   15    9   25   41                                                  
CONECT   16   12   13   18                                                  
CONECT   17   14   19   31                                                  
CONECT   18   16   20   32                                                  
CONECT   19   17   22   33                                                  
CONECT   20   18   24   34                                                  
CONECT   21   23   25   35                                                  
CONECT   22   19   27   36                                                  
CONECT   23   21   26   37                                                  
CONECT   24   10   20   38                                                  
CONECT   25   15   21   42                                                  
CONECT   26   23   39   41                                                  
CONECT   27   22   40   42                                                  
CONECT   28    8                                                            
CONECT   29    9                                                            
CONECT   30   11                                                            
CONECT   31   17                                                            
CONECT   32   18                                                            
CONECT   33   19                                                            
CONECT   34   20                                                            
CONECT   35   21                                                            
CONECT   36   22                                                            
CONECT   37   23                                                            
CONECT   38   12   24                                                       
CONECT   39   13   26                                                       
CONECT   40   14   27                                                       
CONECT   41   15   26                                                       
CONECT   42   25   27                                                       
MASTER        0    0    0    0    0    0    0    0   42    0   92    0
END

COMPND    HMDB0037506
HETATM    1  O1  UNL     1      -2.818  -1.024   0.242  1.00  0.00           O  
HETATM    2  C1  UNL     1      -3.841  -0.345  -0.007  1.00  0.00           C  
HETATM    3  C2  UNL     1      -3.715   1.081  -0.187  1.00  0.00           C  
HETATM    4  C3  UNL     1      -2.460   1.705  -0.301  1.00  0.00           C  
HETATM    5  O2  UNL     1      -1.365   0.921  -0.235  1.00  0.00           O  
HETATM    6  C4  UNL     1      -0.005   1.239  -0.328  1.00  0.00           C  
HETATM    7  O3  UNL     1       0.583   0.937   0.878  1.00  0.00           O  
HETATM    8  C5  UNL     1       1.972   0.948   0.908  1.00  0.00           C  
HETATM    9  C6  UNL     1       2.308   0.458   2.286  1.00  0.00           C  
HETATM   10  O4  UNL     1       3.618   0.370   2.596  1.00  0.00           O  
HETATM   11  C7  UNL     1       2.613   0.270  -0.222  1.00  0.00           C  
HETATM   12  O5  UNL     1       3.831  -0.229  -0.112  1.00  0.00           O  
HETATM   13  C8  UNL     1       4.953   0.056  -0.685  1.00  0.00           C  
HETATM   14  O6  UNL     1       5.982   0.596   0.101  1.00  0.00           O  
HETATM   15  C9  UNL     1       6.631  -0.373   0.841  1.00  0.00           C  
HETATM   16  C10 UNL     1       7.615   0.175   1.816  1.00  0.00           C  
HETATM   17  O7  UNL     1       8.629   0.910   1.242  1.00  0.00           O  
HETATM   18  C11 UNL     1       7.314  -1.406  -0.038  1.00  0.00           C  
HETATM   19  O8  UNL     1       7.957  -2.373   0.700  1.00  0.00           O  
HETATM   20  C12 UNL     1       6.191  -2.111  -0.800  1.00  0.00           C  
HETATM   21  O9  UNL     1       6.682  -3.089  -1.631  1.00  0.00           O  
HETATM   22  C13 UNL     1       5.530  -1.010  -1.633  1.00  0.00           C  
HETATM   23  O10 UNL     1       6.544  -0.450  -2.413  1.00  0.00           O  
HETATM   24  C14 UNL     1       1.585  -0.588  -0.941  1.00  0.00           C  
HETATM   25  O11 UNL     1       0.899  -1.438  -0.126  1.00  0.00           O  
HETATM   26  C15 UNL     1       0.539   0.412  -1.473  1.00  0.00           C  
HETATM   27  O12 UNL     1      -0.451  -0.187  -2.203  1.00  0.00           O  
HETATM   28  C16 UNL     1      -2.357   3.062  -0.473  1.00  0.00           C  
HETATM   29  C17 UNL     1      -3.523   3.795  -0.531  1.00  0.00           C  
HETATM   30  O13 UNL     1      -3.488   5.171  -0.703  1.00  0.00           O  
HETATM   31  C18 UNL     1      -4.773   3.184  -0.419  1.00  0.00           C  
HETATM   32  C19 UNL     1      -4.866   1.840  -0.249  1.00  0.00           C  
HETATM   33  O14 UNL     1      -6.069   1.153  -0.130  1.00  0.00           O  
HETATM   34  C20 UNL     1      -6.226  -0.165  -0.643  1.00  0.00           C  
HETATM   35  C21 UNL     1      -7.587  -0.656  -0.338  1.00  0.00           C  
HETATM   36  C22 UNL     1      -7.817  -1.956   0.044  1.00  0.00           C  
HETATM   37  C23 UNL     1      -9.092  -2.423   0.341  1.00  0.00           C  
HETATM   38  C24 UNL     1     -10.169  -1.572   0.255  1.00  0.00           C  
HETATM   39  C25 UNL     1      -9.957  -0.267  -0.126  1.00  0.00           C  
HETATM   40  C26 UNL     1      -8.689   0.185  -0.417  1.00  0.00           C  
HETATM   41  C27 UNL     1      -5.141  -1.074  -0.101  1.00  0.00           C  
HETATM   42  O15 UNL     1      -5.492  -1.362   1.236  1.00  0.00           O  
HETATM   43  H1  UNL     1       0.068   2.321  -0.526  1.00  0.00           H  
HETATM   44  H2  UNL     1       2.262   2.043   0.905  1.00  0.00           H  
HETATM   45  H3  UNL     1       1.808  -0.529   2.512  1.00  0.00           H  
HETATM   46  H4  UNL     1       1.822   1.172   2.987  1.00  0.00           H  
HETATM   47  H5  UNL     1       3.834   0.850   3.416  1.00  0.00           H  
HETATM   48  H6  UNL     1       2.789   1.076  -0.987  1.00  0.00           H  
HETATM   49  H7  UNL     1       4.763   0.898  -1.401  1.00  0.00           H  
HETATM   50  H8  UNL     1       5.854  -0.924   1.420  1.00  0.00           H  
HETATM   51  H9  UNL     1       7.086   0.765   2.619  1.00  0.00           H  
HETATM   52  H10 UNL     1       8.069  -0.683   2.357  1.00  0.00           H  
HETATM   53  H11 UNL     1       8.746   1.730   1.769  1.00  0.00           H  
HETATM   54  H12 UNL     1       8.008  -0.947  -0.748  1.00  0.00           H  
HETATM   55  H13 UNL     1       7.363  -2.662   1.464  1.00  0.00           H  
HETATM   56  H14 UNL     1       5.449  -2.499  -0.063  1.00  0.00           H  
HETATM   57  H15 UNL     1       7.647  -3.221  -1.397  1.00  0.00           H  
HETATM   58  H16 UNL     1       4.790  -1.437  -2.284  1.00  0.00           H  
HETATM   59  H17 UNL     1       7.148  -1.158  -2.735  1.00  0.00           H  
HETATM   60  H18 UNL     1       2.067  -1.131  -1.749  1.00  0.00           H  
HETATM   61  H19 UNL     1       1.192  -2.369  -0.126  1.00  0.00           H  
HETATM   62  H20 UNL     1       1.098   1.102  -2.133  1.00  0.00           H  
HETATM   63  H21 UNL     1      -0.244  -1.121  -2.498  1.00  0.00           H  
HETATM   64  H22 UNL     1      -1.441   3.622  -0.569  1.00  0.00           H  
HETATM   65  H23 UNL     1      -3.451   5.734   0.138  1.00  0.00           H  
HETATM   66  H24 UNL     1      -5.682   3.770  -0.466  1.00  0.00           H  
HETATM   67  H25 UNL     1      -6.094  -0.099  -1.741  1.00  0.00           H  
HETATM   68  H26 UNL     1      -7.034  -2.670   0.128  1.00  0.00           H  
HETATM   69  H27 UNL     1      -9.251  -3.452   0.638  1.00  0.00           H  
HETATM   70  H28 UNL     1     -11.162  -1.923   0.484  1.00  0.00           H  
HETATM   71  H29 UNL     1     -10.812   0.404  -0.193  1.00  0.00           H  
HETATM   72  H30 UNL     1      -8.562   1.215  -0.712  1.00  0.00           H  
HETATM   73  H31 UNL     1      -5.080  -2.013  -0.642  1.00  0.00           H  
HETATM   74  H32 UNL     1      -5.126  -2.234   1.525  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   41
CONECT    3    4    4   32
CONECT    4    5   28
CONECT    5    6
CONECT    6    7   26   43
CONECT    7    8
CONECT    8    9   11   44
CONECT    9   10   45   46
CONECT   10   47
CONECT   11   12   24   48
CONECT   12   13
CONECT   13   14   22   49
CONECT   14   15
CONECT   15   16   18   50
CONECT   16   17   51   52
CONECT   17   53
CONECT   18   19   20   54
CONECT   19   55
CONECT   20   21   22   56
CONECT   21   57
CONECT   22   23   58
CONECT   23   59
CONECT   24   25   26   60
CONECT   25   61
CONECT   26   27   62
CONECT   27   63
CONECT   28   29   29   64
CONECT   29   30   31
CONECT   30   65
CONECT   31   32   32   66
CONECT   32   33
CONECT   33   34
CONECT   34   35   41   67
CONECT   35   36   36   40
CONECT   36   37   68
CONECT   37   38   38   69
CONECT   38   39   70
CONECT   39   40   40   71
CONECT   40   72
CONECT   41   42   73
CONECT   42   74
END

HMDB0037506
     RDKit          3D
Pinobanksin 5-[galactosyl-(1->4)-glucoside]
 74 78  0  0  0  0  0  0  0  0999 V2000
   -2.8180   -1.0242    0.2419 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8414   -0.3453   -0.0069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7153    1.0813   -0.1873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4597    1.7049   -0.3007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3645    0.9213   -0.2348 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0046    1.2388   -0.3282 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5831    0.9373    0.8779 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9720    0.9481    0.9080 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3081    0.4581    2.2860 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6179    0.3701    2.5962 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6131    0.2704   -0.2223 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8305   -0.2292   -0.1119 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9526    0.0557   -0.6852 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9816    0.5955    0.1009 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6313   -0.3728    0.8411 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6149    0.1748    1.8162 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6290    0.9099    1.2420 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3135   -1.4058   -0.0379 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9566   -2.3732    0.7002 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1915   -2.1107   -0.7998 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6819   -3.0894   -1.6310 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5303   -1.0097   -1.6329 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5435   -0.4495   -2.4126 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5854   -0.5878   -0.9408 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8994   -1.4378   -0.1264 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5391    0.4120   -1.4726 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4508   -0.1875   -2.2034 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3570    3.0616   -0.4727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5232    3.7947   -0.5305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4879    5.1714   -0.7026 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7734    3.1842   -0.4186 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8658    1.8396   -0.2488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0693    1.1530   -0.1302 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2263   -0.1649   -0.6430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5866   -0.6565   -0.3376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8166   -1.9562    0.0440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0923   -2.4232    0.3407 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1690   -1.5718    0.2548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9566   -0.2669   -0.1258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6893    0.1850   -0.4174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1408   -1.0740   -0.1008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4917   -1.3625    1.2356 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0677    2.3208   -0.5263 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2624    2.0428    0.9048 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8078   -0.5286    2.5116 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8222    1.1724    2.9871 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8336    0.8505    3.4157 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7890    1.0762   -0.9871 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7632    0.8984   -1.4013 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8540   -0.9242    1.4203 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0862    0.7652    2.6190 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0687   -0.6833    2.3571 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7461    1.7304    1.7692 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0085   -0.9475   -0.7477 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3630   -2.6618    1.4641 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4488   -2.4985   -0.0633 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6473   -3.2210   -1.3971 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7901   -1.4373   -2.2841 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1477   -1.1583   -2.7354 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0672   -1.1314   -1.7490 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1922   -2.3691   -0.1262 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0980    1.1019   -2.1328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2445   -1.1215   -2.4978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4408    3.6221   -0.5690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4511    5.7342    0.1376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6819    3.7701   -0.4656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0938   -0.0992   -1.7411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0339   -2.6696    0.1280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2513   -3.4517    0.6381 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1615   -1.9230    0.4837 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8122    0.4043   -0.1933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5616    1.2148   -0.7124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0804   -2.0127   -0.6418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1257   -2.2343    1.5246 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
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  8 11  1  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
 11 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
  4 28  1  0
 28 29  2  0
 29 30  1  0
 29 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  2  0
 36 37  1  0
 37 38  2  0
 38 39  1  0
 39 40  2  0
 34 41  1  0
 41 42  1  0
 41  2  1  0
 32  3  1  0
 40 35  1  0
 26  6  1  0
 22 13  1  0
  6 43  1  0
  8 44  1  0
  9 45  1  0
  9 46  1  0
 10 47  1  0
 11 48  1  0
 13 49  1  0
 15 50  1  0
 16 51  1  0
 16 52  1  0
 17 53  1  0
 18 54  1  0
 19 55  1  0
 20 56  1  0
 21 57  1  0
 22 58  1  0
 23 59  1  0
 24 60  1  0
 25 61  1  0
 26 62  1  0
 27 63  1  0
 28 64  1  0
 30 65  1  0
 31 66  1  0
 34 67  1  0
 36 68  1  0
 37 69  1  0
 38 70  1  0
 39 71  1  0
 40 72  1  0
 41 73  1  0
 42 74  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
Pinobanksin 5-galactosyl-(1->4)-glucoside	HMDB

Chemical Formula

C₂₇H₃₂O₁₅

Average Molecular Weight

596.534

Monoisotopic Molecular Weight

596.174120354

IUPAC Name

5-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,7-dihydroxy-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one

Traditional Name

5-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,7-dihydroxy-2-phenyl-2,3-dihydro-1-benzopyran-4-one

CAS Registry Number

91925-95-0

SMILES

OCC1OC(OC2C(O)C(O)C(OC3=CC(O)=CC4=C3C(=O)C(O)C(O4)C3=CC=CC=C3)OC2CO)C(O)C(O)C1O

InChI Identifier

InChI=1S/C27H32O15/c28-8-14-17(31)19(33)22(36)27(40-14)42-25-15(9-29)41-26(23(37)21(25)35)39-13-7-11(30)6-12-16(13)18(32)20(34)24(38-12)10-4-2-1-3-5-10/h1-7,14-15,17,19-31,33-37H,8-9H2

InChI Key

BEMHMJYMGFZFFQ-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as flavonoid o-glycosides. Flavonoid O-glycosides are compounds containing a carbohydrate moiety which is O-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavonoid glycosides

Direct Parent

Flavonoid O-glycosides

Alternative Parents

Substituents

Flavonoid-5-o-glycoside
Flavonoid o-glycoside
3-hydroxyflavonoid
7-hydroxyflavonoid
Flavanone
Flavanonol
Hydroxyflavonoid
Flavan
Phenolic glycoside
Chromone
Disaccharide
Glycosyl compound
O-glycosyl compound
1-benzopyran
Chromane
Benzopyran
Aryl ketone
Aryl alkyl ketone
Alkyl aryl ether
1-hydroxy-2-unsubstituted benzenoid
Benzenoid
Oxane
Monocyclic benzene moiety
Ketone
Secondary alcohol
Ether
Polyol
Oxacycle
Organoheterocyclic compound
Acetal
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Alcohol
Organooxygen compound
Primary 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: HMDB0037506)
Cytoplasm (HMDB: HMDB0037506)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0037506)

Source

Exogenous

Food

Food (HMDB: HMDB0037506)

Fruit

Fruits (FooDB: FOOD00871)

Endogenous

Plant

Plant (HMDB: HMDB0037506)

Process

Naturally occurring process

Biological process

Biochemical pathway

Metabolic pathway

Flavonoid Biosynthesis (PathBank: SMP0012021)

Role

Biological role

Nutrient

Nutrient (HMDB: HMDB0037506)

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	88 - 90 °C	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	9.37 g/L	ALOGPS
logP	-0.87	ALOGPS
logP	-2.3	ChemAxon
logS	-1.8	ALOGPS
pKa (Strongest Acidic)	7.71	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	15	ChemAxon
Hydrogen Donor Count	9	ChemAxon
Polar Surface Area	245.29 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	135.2 m³·mol⁻¹	ChemAxon
Polarizability	58.24 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	231.647	31661259
DarkChem	[M-H]-	225.417	31661259
DeepCCS	[M+H]+	222.844	30932474
DeepCCS	[M-H]-	220.449	30932474
DeepCCS	[M-2H]-	253.604	30932474
DeepCCS	[M+Na]+	228.712	30932474
AllCCS	[M+H]+	231.0	32859911
AllCCS	[M+H-H2O]+	229.8	32859911
AllCCS	[M+NH4]+	232.1	32859911
AllCCS	[M+Na]+	232.4	32859911
AllCCS	[M-H]-	224.3	32859911
AllCCS	[M+Na-2H]-	226.4	32859911
AllCCS	[M+HCOO]-	228.9	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Pinobanksin 5-[galactosyl-(1->4)-glucoside]	OCC1OC(OC2C(O)C(O)C(OC3=CC(O)=CC4=C3C(=O)C(O)C(O4)C3=CC=CC=C3)OC2CO)C(O)C(O)C1O	5041.0	Standard polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside]	OCC1OC(OC2C(O)C(O)C(OC3=CC(O)=CC4=C3C(=O)C(O)C(O4)C3=CC=CC=C3)OC2CO)C(O)C(O)C1O	4863.7	Standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside]	OCC1OC(OC2C(O)C(O)C(OC3=CC(O)=CC4=C3C(=O)C(O)C(O4)C3=CC=CC=C3)OC2CO)C(O)C(O)C1O	5363.5	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Pinobanksin 5-[galactosyl-(1->4)-glucoside],1TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2C(CO)OC(OC3=CC(O)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O)C2O)C(O)C(O)C1O	5020.9	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],1TMS,isomer #2	C[Si](C)(C)OC1C(O)C(OC2=CC(O)=CC3=C2C(=O)C(O)C(C2=CC=CC=C2)O3)OC(CO)C1OC1OC(CO)C(O)C(O)C1O	5032.6	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],1TMS,isomer #3	C[Si](C)(C)OC1C(OC2=CC(O)=CC3=C2C(=O)C(O)C(C2=CC=CC=C2)O3)OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C1O	5036.2	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],1TMS,isomer #4	C[Si](C)(C)OC1=CC(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)=C2C(=O)C(O)C(C3=CC=CC=C3)OC2=C1	5028.1	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],1TMS,isomer #5	C[Si](C)(C)OC1C(=O)C2=C(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C=C(O)C=C2OC1C1=CC=CC=C1	5025.5	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],1TMS,isomer #6	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=C2C(=O)C(O)C(C2=CC=CC=C2)O3)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O	5043.7	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],1TMS,isomer #7	C[Si](C)(C)OC1C(OC2C(CO)OC(OC3=CC(O)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O)C2O)OC(CO)C(O)C1O	5014.1	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],1TMS,isomer #8	C[Si](C)(C)OC1C(O)C(CO)OC(OC2C(CO)OC(OC3=CC(O)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O)C2O)C1O	4987.0	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],1TMS,isomer #9	C[Si](C)(C)OC1C(CO)OC(OC2C(CO)OC(OC3=CC(O)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O)C2O)C(O)C1O	5013.4	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],2TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C)OC(OC3=CC(O)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O)C2O)C(O)C(O)C1O	4907.5	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],2TMS,isomer #10	C[Si](C)(C)OC1=CC(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O[Si](C)(C)C)C2O)=C2C(=O)C(O)C(C3=CC=CC=C3)OC2=C1	4914.9	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],2TMS,isomer #11	C[Si](C)(C)OC1C(=O)C2=C(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O[Si](C)(C)C)C3O)C=C(O)C=C2OC1C1=CC=CC=C1	4904.8	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],2TMS,isomer #12	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=C2C(=O)C(O)C(C2=CC=CC=C2)O3)C(O)C(O[Si](C)(C)C)C1OC1OC(CO)C(O)C(O)C1O	4930.3	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],2TMS,isomer #13	C[Si](C)(C)OC1C(CO)OC(OC2C(CO)OC(OC3=CC(O)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O)C2O[Si](C)(C)C)C(O)C1O	4909.6	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],2TMS,isomer #14	C[Si](C)(C)OC1C(O)C(CO)OC(OC2C(CO)OC(OC3=CC(O)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O)C2O[Si](C)(C)C)C1O	4875.2	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],2TMS,isomer #15	C[Si](C)(C)OC1C(OC2C(CO)OC(OC3=CC(O)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O)C2O[Si](C)(C)C)OC(CO)C(O)C1O	4900.7	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],2TMS,isomer #16	C[Si](C)(C)OC1=CC(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O[Si](C)(C)C)=C2C(=O)C(O)C(C3=CC=CC=C3)OC2=C1	4933.6	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],2TMS,isomer #17	C[Si](C)(C)OC1C(=O)C2=C(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O[Si](C)(C)C)C=C(O)C=C2OC1C1=CC=CC=C1	4931.6	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],2TMS,isomer #18	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=C2C(=O)C(O)C(C2=CC=CC=C2)O3)C(O[Si](C)(C)C)C(O)C1OC1OC(CO)C(O)C(O)C1O	4944.3	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],2TMS,isomer #19	C[Si](C)(C)OC1C(CO)OC(OC2C(CO)OC(OC3=CC(O)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O[Si](C)(C)C)C2O)C(O)C1O	4925.2	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],2TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2C(CO)OC(OC3=CC(O[Si](C)(C)C)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O)C2O)C(O)C(O)C1O	4916.2	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],2TMS,isomer #20	C[Si](C)(C)OC1C(OC2=CC(O)=CC3=C2C(=O)C(O)C(C2=CC=CC=C2)O3)OC(CO)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C1O	4894.1	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],2TMS,isomer #21	C[Si](C)(C)OC1C(OC2C(CO)OC(OC3=CC(O)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O[Si](C)(C)C)C2O)OC(CO)C(O)C1O	4922.4	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],2TMS,isomer #22	C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=CC3=C2C(=O)C(O)C(C2=CC=CC=C2)O3)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O	4958.1	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],2TMS,isomer #23	C[Si](C)(C)OC1=CC(OC2OC(CO)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(O)C2O)=C2C(=O)C(O)C(C3=CC=CC=C3)OC2=C1	4900.7	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],2TMS,isomer #24	C[Si](C)(C)OC1=CC(OC2OC(CO)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O)C2O)=C2C(=O)C(O)C(C3=CC=CC=C3)OC2=C1	4868.3	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],2TMS,isomer #25	C[Si](C)(C)OC1=CC(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O)C2O)=C2C(=O)C(O)C(C3=CC=CC=C3)OC2=C1	4892.4	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],2TMS,isomer #26	C[Si](C)(C)OC1=CC(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)=C2C(=O)C(O[Si](C)(C)C)C(C3=CC=CC=C3)OC2=C1	4906.5	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],2TMS,isomer #27	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=C2C(=O)C(O[Si](C)(C)C)C(C2=CC=CC=C2)O3)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O	4924.4	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],2TMS,isomer #28	C[Si](C)(C)OC1C(=O)C2=C(OC3OC(CO)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C(O)C3O)C=C(O)C=C2OC1C1=CC=CC=C1	4902.8	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],2TMS,isomer #29	C[Si](C)(C)OC1C(=O)C2=C(OC3OC(CO)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C(O)C3O)C=C(O)C=C2OC1C1=CC=CC=C1	4865.1	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],2TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2C(CO)OC(OC3=CC(O)=CC4=C3C(=O)C(O[Si](C)(C)C)C(C3=CC=CC=C3)O4)C(O)C2O)C(O)C(O)C1O	4897.1	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],2TMS,isomer #30	C[Si](C)(C)OC1C(=O)C2=C(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C(O)C3O)C=C(O)C=C2OC1C1=CC=CC=C1	4899.8	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],2TMS,isomer #31	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=C2C(=O)C(O)C(C2=CC=CC=C2)O3)C(O)C(O)C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O	4924.4	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],2TMS,isomer #32	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=C2C(=O)C(O)C(C2=CC=CC=C2)O3)C(O)C(O)C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O	4888.3	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],2TMS,isomer #33	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=C2C(=O)C(O)C(C2=CC=CC=C2)O3)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C	4913.8	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],2TMS,isomer #34	C[Si](C)(C)OC1C(CO)OC(OC2C(CO)OC(OC3=CC(O)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O)C2O)C(O[Si](C)(C)C)C1O	4901.6	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],2TMS,isomer #35	C[Si](C)(C)OC1C(OC2C(CO)OC(OC3=CC(O)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O)C2O)OC(CO)C(O)C1O[Si](C)(C)C	4916.9	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],2TMS,isomer #36	C[Si](C)(C)OC1C(CO)OC(OC2C(CO)OC(OC3=CC(O)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O)C2O)C(O)C1O[Si](C)(C)C	4908.6	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],2TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2C(CO)OC(OC3=CC(O)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	4916.9	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],2TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2C(CO)OC(OC3=CC(O)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	4893.2	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],2TMS,isomer #6	C[Si](C)(C)OCC1OC(OC2C(CO)OC(OC3=CC(O)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	4901.2	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],2TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2C(CO)OC(OC3=CC(O)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	4878.9	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],2TMS,isomer #8	C[Si](C)(C)OCC1OC(OC2C(CO)OC(OC3=CC(O)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	4914.0	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],2TMS,isomer #9	C[Si](C)(C)OC1C(OC2=CC(O)=CC3=C2C(=O)C(O)C(C2=CC=CC=C2)O3)OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C1O[Si](C)(C)C	4974.9	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],3TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C)OC(OC3=CC(O[Si](C)(C)C)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O)C2O)C(O)C(O)C1O	4802.5	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],3TMS,isomer #10	C[Si](C)(C)OCC1OC(OC2C(CO)OC(OC3=CC(O[Si](C)(C)C)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	4792.2	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],3TMS,isomer #11	C[Si](C)(C)OCC1OC(OC2C(CO)OC(OC3=CC(O[Si](C)(C)C)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	4792.4	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],3TMS,isomer #12	C[Si](C)(C)OCC1OC(OC2C(CO)OC(OC3=CC(O[Si](C)(C)C)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	4780.0	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],3TMS,isomer #13	C[Si](C)(C)OCC1OC(OC2C(CO)OC(OC3=CC(O[Si](C)(C)C)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	4810.1	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],3TMS,isomer #14	C[Si](C)(C)OCC1OC(OC2C(CO)OC(OC3=CC(O)=CC4=C3C(=O)C(O[Si](C)(C)C)C(C3=CC=CC=C3)O4)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	4769.4	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],3TMS,isomer #15	C[Si](C)(C)OCC1OC(OC2C(CO)OC(OC3=CC(O)=CC4=C3C(=O)C(O[Si](C)(C)C)C(C3=CC=CC=C3)O4)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	4743.3	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],3TMS,isomer #16	C[Si](C)(C)OCC1OC(OC2C(CO)OC(OC3=CC(O)=CC4=C3C(=O)C(O[Si](C)(C)C)C(C3=CC=CC=C3)O4)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	4743.5	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],3TMS,isomer #17	C[Si](C)(C)OCC1OC(OC2C(CO)OC(OC3=CC(O)=CC4=C3C(=O)C(O[Si](C)(C)C)C(C3=CC=CC=C3)O4)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	4728.4	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],3TMS,isomer #18	C[Si](C)(C)OCC1OC(OC2C(CO)OC(OC3=CC(O)=CC4=C3C(=O)C(O[Si](C)(C)C)C(C3=CC=CC=C3)O4)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	4763.3	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],3TMS,isomer #19	C[Si](C)(C)OCC1OC(OC2C(CO)OC(OC3=CC(O)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	4810.2	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],3TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C)OC(OC3=CC(O)=CC4=C3C(=O)C(O[Si](C)(C)C)C(C3=CC=CC=C3)O4)C(O)C2O)C(O)C(O)C1O	4751.2	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],3TMS,isomer #20	C[Si](C)(C)OCC1OC(OC2C(CO)OC(OC3=CC(O)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	4782.5	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],3TMS,isomer #21	C[Si](C)(C)OCC1OC(OC2C(CO)OC(OC3=CC(O)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	4772.3	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],3TMS,isomer #22	C[Si](C)(C)OCC1OC(OC2C(CO)OC(OC3=CC(O)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	4803.0	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],3TMS,isomer #23	C[Si](C)(C)OCC1OC(OC2C(CO)OC(OC3=CC(O)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	4763.3	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],3TMS,isomer #24	C[Si](C)(C)OCC1OC(OC2C(CO)OC(OC3=CC(O)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	4748.6	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],3TMS,isomer #25	C[Si](C)(C)OCC1OC(OC2C(CO)OC(OC3=CC(O)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	4778.3	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],3TMS,isomer #26	C[Si](C)(C)OCC1OC(OC2C(CO)OC(OC3=CC(O)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4772.3	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],3TMS,isomer #27	C[Si](C)(C)OCC1OC(OC2C(CO)OC(OC3=CC(O)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4766.1	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],3TMS,isomer #28	C[Si](C)(C)OCC1OC(OC2C(CO)OC(OC3=CC(O)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4783.1	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],3TMS,isomer #29	C[Si](C)(C)OC1=CC(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C2C(=O)C(O)C(C3=CC=CC=C3)OC2=C1	4860.0	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],3TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C)OC(OC3=CC(O)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	4799.1	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],3TMS,isomer #30	C[Si](C)(C)OC1C(=O)C2=C(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C=C(O)C=C2OC1C1=CC=CC=C1	4825.8	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],3TMS,isomer #31	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=C2C(=O)C(O)C(C2=CC=CC=C2)O3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OC(CO)C(O)C(O)C1O	4851.5	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],3TMS,isomer #32	C[Si](C)(C)OC1C(CO)OC(OC2C(CO)OC(OC3=CC(O)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O	4844.6	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],3TMS,isomer #33	C[Si](C)(C)OC1C(O)C(CO)OC(OC2C(CO)OC(OC3=CC(O)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1O	4802.4	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],3TMS,isomer #34	C[Si](C)(C)OC1C(OC2C(CO)OC(OC3=CC(O)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO)C(O)C1O	4828.5	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],3TMS,isomer #35	C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=CC3=C2C(=O)C(O)C(C2=CC=CC=C2)O3)C(O)C(O[Si](C)(C)C)C1OC1OC(CO)C(O)C(O)C1O	4829.9	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],3TMS,isomer #36	C[Si](C)(C)OC1=CC(OC2OC(CO)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(O[Si](C)(C)C)C2O)=C2C(=O)C(O)C(C3=CC=CC=C3)OC2=C1	4812.5	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],3TMS,isomer #37	C[Si](C)(C)OC1=CC(OC2OC(CO)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C2O)=C2C(=O)C(O)C(C3=CC=CC=C3)OC2=C1	4774.1	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],3TMS,isomer #38	C[Si](C)(C)OC1=CC(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C2C(=O)C(O)C(C3=CC=CC=C3)OC2=C1	4788.7	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],3TMS,isomer #39	C[Si](C)(C)OC1=CC(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O[Si](C)(C)C)C2O)=C2C(=O)C(O[Si](C)(C)C)C(C3=CC=CC=C3)OC2=C1	4786.3	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],3TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C)OC(OC3=CC(O)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	4773.9	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],3TMS,isomer #40	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=C2C(=O)C(O[Si](C)(C)C)C(C2=CC=CC=C2)O3)C(O)C(O[Si](C)(C)C)C1OC1OC(CO)C(O)C(O)C1O	4780.3	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],3TMS,isomer #41	C[Si](C)(C)OC1C(=O)C2=C(OC3OC(CO)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C(O[Si](C)(C)C)C3O)C=C(O)C=C2OC1C1=CC=CC=C1	4772.3	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],3TMS,isomer #42	C[Si](C)(C)OC1C(=O)C2=C(OC3OC(CO)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C(O[Si](C)(C)C)C3O)C=C(O)C=C2OC1C1=CC=CC=C1	4730.9	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],3TMS,isomer #43	C[Si](C)(C)OC1C(=O)C2=C(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C=C(O)C=C2OC1C1=CC=CC=C1	4750.8	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],3TMS,isomer #44	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=C2C(=O)C(O)C(C2=CC=CC=C2)O3)C(O)C(O[Si](C)(C)C)C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O	4804.8	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],3TMS,isomer #45	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=C2C(=O)C(O)C(C2=CC=CC=C2)O3)C(O)C(O[Si](C)(C)C)C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O	4757.3	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],3TMS,isomer #46	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=C2C(=O)C(O)C(C2=CC=CC=C2)O3)C(O)C(O[Si](C)(C)C)C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C	4778.4	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],3TMS,isomer #47	C[Si](C)(C)OC1C(CO)OC(OC2C(CO)OC(OC3=CC(O)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4778.6	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],3TMS,isomer #48	C[Si](C)(C)OC1C(CO)OC(OC2C(CO)OC(OC3=CC(O)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4787.7	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],3TMS,isomer #49	C[Si](C)(C)OC1C(OC2C(CO)OC(OC3=CC(O)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O)C2O[Si](C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C	4784.6	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],3TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C)OC(OC3=CC(O)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	4766.4	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],3TMS,isomer #50	C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=CC3=C2C(=O)C(O)C(C2=CC=CC=C2)O3)C(O[Si](C)(C)C)C(O)C1OC1OC(CO)C(O)C(O)C1O	4846.1	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],3TMS,isomer #51	C[Si](C)(C)OC1=CC(OC2OC(CO)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(O)C2O[Si](C)(C)C)=C2C(=O)C(O)C(C3=CC=CC=C3)OC2=C1	4833.5	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],3TMS,isomer #52	C[Si](C)(C)OC1=CC(OC2OC(CO)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O)C2O[Si](C)(C)C)=C2C(=O)C(O)C(C3=CC=CC=C3)OC2=C1	4796.4	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],3TMS,isomer #53	C[Si](C)(C)OC1=CC(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C2C(=O)C(O)C(C3=CC=CC=C3)OC2=C1	4810.0	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],3TMS,isomer #54	C[Si](C)(C)OC1=CC(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O[Si](C)(C)C)=C2C(=O)C(O[Si](C)(C)C)C(C3=CC=CC=C3)OC2=C1	4810.9	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],3TMS,isomer #55	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=C2C(=O)C(O[Si](C)(C)C)C(C2=CC=CC=C2)O3)C(O[Si](C)(C)C)C(O)C1OC1OC(CO)C(O)C(O)C1O	4812.7	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],3TMS,isomer #56	C[Si](C)(C)OC1C(=O)C2=C(OC3OC(CO)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C(O)C3O[Si](C)(C)C)C=C(O)C=C2OC1C1=CC=CC=C1	4794.7	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],3TMS,isomer #57	C[Si](C)(C)OC1C(=O)C2=C(OC3OC(CO)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C(O)C3O[Si](C)(C)C)C=C(O)C=C2OC1C1=CC=CC=C1	4753.5	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],3TMS,isomer #58	C[Si](C)(C)OC1C(=O)C2=C(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C=C(O)C=C2OC1C1=CC=CC=C1	4771.2	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],3TMS,isomer #59	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=C2C(=O)C(O)C(C2=CC=CC=C2)O3)C(O[Si](C)(C)C)C(O)C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O	4829.4	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],3TMS,isomer #6	C[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C)OC(OC3=CC(O)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	4755.5	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],3TMS,isomer #60	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=C2C(=O)C(O)C(C2=CC=CC=C2)O3)C(O[Si](C)(C)C)C(O)C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O	4783.0	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],3TMS,isomer #61	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=C2C(=O)C(O)C(C2=CC=CC=C2)O3)C(O[Si](C)(C)C)C(O)C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C	4800.5	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],3TMS,isomer #62	C[Si](C)(C)OC1C(CO)OC(OC2C(CO)OC(OC3=CC(O)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O	4800.9	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],3TMS,isomer #63	C[Si](C)(C)OC1C(OC2=CC(O)=CC3=C2C(=O)C(O)C(C2=CC=CC=C2)O3)OC(CO)C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C1O	4812.8	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],3TMS,isomer #64	C[Si](C)(C)OC1C(OC2=CC(O)=CC3=C2C(=O)C(O)C(C2=CC=CC=C2)O3)OC(CO)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1O	4809.7	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],3TMS,isomer #65	C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=CC3=C2C(=O)C(O[Si](C)(C)C)C(C2=CC=CC=C2)O3)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O	4797.5	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],3TMS,isomer #66	C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=CC3=C2C(=O)C(O)C(C2=CC=CC=C2)O3)C(O)C(O)C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O	4826.4	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],3TMS,isomer #67	C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=CC3=C2C(=O)C(O)C(C2=CC=CC=C2)O3)C(O)C(O)C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O	4779.5	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],3TMS,isomer #68	C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=CC3=C2C(=O)C(O)C(C2=CC=CC=C2)O3)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C	4799.4	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],3TMS,isomer #69	C[Si](C)(C)OC1=CC(OC2OC(CO)C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O)C2O)=C2C(=O)C(O)C(C3=CC=CC=C3)OC2=C1	4805.7	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],3TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=C2C(=O)C(O)C(C2=CC=CC=C2)O3)C(O)C(O)C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	4787.2	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],3TMS,isomer #70	C[Si](C)(C)OC1=CC(OC2OC(CO)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O)C2O)=C2C(=O)C(O)C(C3=CC=CC=C3)OC2=C1	4799.1	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],3TMS,isomer #71	C[Si](C)(C)OC1=CC(OC2OC(CO)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(O)C2O)=C2C(=O)C(O[Si](C)(C)C)C(C3=CC=CC=C3)OC2=C1	4790.8	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],3TMS,isomer #72	C[Si](C)(C)OC1=CC(OC2OC(CO)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C2O)=C2C(=O)C(O)C(C3=CC=CC=C3)OC2=C1	4801.6	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],3TMS,isomer #73	C[Si](C)(C)OC1=CC(OC2OC(CO)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O)C2O)=C2C(=O)C(O[Si](C)(C)C)C(C3=CC=CC=C3)OC2=C1	4754.2	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],3TMS,isomer #74	C[Si](C)(C)OC1=CC(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O)C2O)=C2C(=O)C(O[Si](C)(C)C)C(C3=CC=CC=C3)OC2=C1	4768.6	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],3TMS,isomer #75	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=C2C(=O)C(O[Si](C)(C)C)C(C2=CC=CC=C2)O3)C(O)C(O)C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O	4780.2	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],3TMS,isomer #76	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=C2C(=O)C(O[Si](C)(C)C)C(C2=CC=CC=C2)O3)C(O)C(O)C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O	4733.1	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],3TMS,isomer #77	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=C2C(=O)C(O[Si](C)(C)C)C(C2=CC=CC=C2)O3)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C	4755.4	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],3TMS,isomer #78	C[Si](C)(C)OC1C(=O)C2=C(OC3OC(CO)C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C(O)C3O)C=C(O)C=C2OC1C1=CC=CC=C1	4766.9	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],3TMS,isomer #79	C[Si](C)(C)OC1C(=O)C2=C(OC3OC(CO)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C(O)C3O)C=C(O)C=C2OC1C1=CC=CC=C1	4755.3	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],3TMS,isomer #8	C[Si](C)(C)OCC1OC(OC2C(CO)OC(OC3=CC(O[Si](C)(C)C)=CC4=C3C(=O)C(O[Si](C)(C)C)C(C3=CC=CC=C3)O4)C(O)C2O)C(O)C(O)C1O	4766.3	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],3TMS,isomer #80	C[Si](C)(C)OC1C(=O)C2=C(OC3OC(CO)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C(O)C3O)C=C(O)C=C2OC1C1=CC=CC=C1	4764.4	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],3TMS,isomer #81	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=C2C(=O)C(O)C(C2=CC=CC=C2)O3)C(O)C(O)C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4788.2	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],3TMS,isomer #82	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=C2C(=O)C(O)C(C2=CC=CC=C2)O3)C(O)C(O)C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4777.1	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],3TMS,isomer #83	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=C2C(=O)C(O)C(C2=CC=CC=C2)O3)C(O)C(O)C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4782.5	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],3TMS,isomer #84	C[Si](C)(C)OC1C(CO)OC(OC2C(CO)OC(OC3=CC(O)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4805.8	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],3TMS,isomer #9	C[Si](C)(C)OCC1OC(OC2C(CO)OC(OC3=CC(O[Si](C)(C)C)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	4811.2	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C)OC(OC3=CC(O[Si](C)(C)C)=CC4=C3C(=O)C(O[Si](C)(C)C)C(C3=CC=CC=C3)O4)C(O)C2O)C(O)C(O)C1O	4651.5	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #10	C[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C)OC(OC3=CC(O)=CC4=C3C(=O)C(O[Si](C)(C)C)C(C3=CC=CC=C3)O4)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	4611.2	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #100	C[Si](C)(C)OC1=CC(OC2OC(CO)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O)C2O[Si](C)(C)C)=C2C(=O)C(O[Si](C)(C)C)C(C3=CC=CC=C3)OC2=C1	4663.3	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #101	C[Si](C)(C)OC1=CC(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C2C(=O)C(O[Si](C)(C)C)C(C3=CC=CC=C3)OC2=C1	4686.5	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #102	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=C2C(=O)C(O[Si](C)(C)C)C(C2=CC=CC=C2)O3)C(O[Si](C)(C)C)C(O)C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O	4709.8	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #103	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=C2C(=O)C(O[Si](C)(C)C)C(C2=CC=CC=C2)O3)C(O[Si](C)(C)C)C(O)C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O	4651.5	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #104	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=C2C(=O)C(O[Si](C)(C)C)C(C2=CC=CC=C2)O3)C(O[Si](C)(C)C)C(O)C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C	4670.3	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #105	C[Si](C)(C)OC1C(=O)C2=C(OC3OC(CO)C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C(O)C3O[Si](C)(C)C)C=C(O)C=C2OC1C1=CC=CC=C1	4670.5	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #106	C[Si](C)(C)OC1C(=O)C2=C(OC3OC(CO)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C=C(O)C=C2OC1C1=CC=CC=C1	4654.4	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #107	C[Si](C)(C)OC1C(=O)C2=C(OC3OC(CO)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C=C(O)C=C2OC1C1=CC=CC=C1	4649.6	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #108	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=C2C(=O)C(O)C(C2=CC=CC=C2)O3)C(O[Si](C)(C)C)C(O)C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4709.6	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #109	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=C2C(=O)C(O)C(C2=CC=CC=C2)O3)C(O[Si](C)(C)C)C(O)C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4694.5	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #11	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=C2C(=O)C(O[Si](C)(C)C)C(C2=CC=CC=C2)O3)C(O)C(O)C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	4653.5	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #110	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=C2C(=O)C(O)C(C2=CC=CC=C2)O3)C(O[Si](C)(C)C)C(O)C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4690.6	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #111	C[Si](C)(C)OC1C(OC2=CC(O)=CC3=C2C(=O)C(O)C(C2=CC=CC=C2)O3)OC(CO)C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1O	4691.3	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #112	C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=CC3=C2C(=O)C(O[Si](C)(C)C)C(C2=CC=CC=C2)O3)C(O)C(O)C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O	4697.4	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #113	C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=CC3=C2C(=O)C(O[Si](C)(C)C)C(C2=CC=CC=C2)O3)C(O)C(O)C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O	4639.2	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #114	C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=CC3=C2C(=O)C(O[Si](C)(C)C)C(C2=CC=CC=C2)O3)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C	4658.6	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #115	C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=CC3=C2C(=O)C(O)C(C2=CC=CC=C2)O3)C(O)C(O)C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4703.9	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #116	C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=CC3=C2C(=O)C(O)C(C2=CC=CC=C2)O3)C(O)C(O)C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4695.3	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #117	C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=CC3=C2C(=O)C(O)C(C2=CC=CC=C2)O3)C(O)C(O)C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4687.6	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #118	C[Si](C)(C)OC1=CC(OC2OC(CO)C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C2O)=C2C(=O)C(O)C(C3=CC=CC=C3)OC2=C1	4707.5	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #119	C[Si](C)(C)OC1=CC(OC2OC(CO)C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O)C2O)=C2C(=O)C(O[Si](C)(C)C)C(C3=CC=CC=C3)OC2=C1	4678.6	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #12	C[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C)OC(OC3=CC(O)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	4703.6	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #120	C[Si](C)(C)OC1=CC(OC2OC(CO)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O)C2O)=C2C(=O)C(O[Si](C)(C)C)C(C3=CC=CC=C3)OC2=C1	4674.9	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #121	C[Si](C)(C)OC1=CC(OC2OC(CO)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C2O)=C2C(=O)C(O[Si](C)(C)C)C(C3=CC=CC=C3)OC2=C1	4663.3	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #122	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=C2C(=O)C(O[Si](C)(C)C)C(C2=CC=CC=C2)O3)C(O)C(O)C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4652.1	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #123	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=C2C(=O)C(O[Si](C)(C)C)C(C2=CC=CC=C2)O3)C(O)C(O)C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4641.6	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #124	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=C2C(=O)C(O[Si](C)(C)C)C(C2=CC=CC=C2)O3)C(O)C(O)C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4634.1	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #125	C[Si](C)(C)OC1C(=O)C2=C(OC3OC(CO)C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C(O)C3O)C=C(O)C=C2OC1C1=CC=CC=C1	4647.0	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #126	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=C2C(=O)C(O)C(C2=CC=CC=C2)O3)C(O)C(O)C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4675.7	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #13	C[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C)OC(OC3=CC(O)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	4684.1	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #14	C[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C)OC(OC3=CC(O)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	4670.8	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #15	C[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C)OC(OC3=CC(O)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	4715.2	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #16	C[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C)OC(OC3=CC(O)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	4651.3	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #17	C[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C)OC(OC3=CC(O)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	4640.2	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #18	C[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C)OC(OC3=CC(O)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	4680.2	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #19	C[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C)OC(OC3=CC(O)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4654.7	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C)OC(OC3=CC(O[Si](C)(C)C)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	4712.6	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #20	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=C2C(=O)C(O)C(C2=CC=CC=C2)O3)C(O)C(O)C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4660.0	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #21	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=C2C(=O)C(O)C(C2=CC=CC=C2)O3)C(O)C(O)C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4670.0	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #22	C[Si](C)(C)OCC1OC(OC2C(CO)OC(OC3=CC(O[Si](C)(C)C)=CC4=C3C(=O)C(O[Si](C)(C)C)C(C3=CC=CC=C3)O4)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	4676.5	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #23	C[Si](C)(C)OCC1OC(OC2C(CO)OC(OC3=CC(O[Si](C)(C)C)=CC4=C3C(=O)C(O[Si](C)(C)C)C(C3=CC=CC=C3)O4)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	4645.6	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #24	C[Si](C)(C)OCC1OC(OC2C(CO)OC(OC3=CC(O[Si](C)(C)C)=CC4=C3C(=O)C(O[Si](C)(C)C)C(C3=CC=CC=C3)O4)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	4647.4	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #25	C[Si](C)(C)OCC1OC(OC2C(CO)OC(OC3=CC(O[Si](C)(C)C)=CC4=C3C(=O)C(O[Si](C)(C)C)C(C3=CC=CC=C3)O4)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	4633.5	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #26	C[Si](C)(C)OCC1OC(OC2C(CO)OC(OC3=CC(O[Si](C)(C)C)=CC4=C3C(=O)C(O[Si](C)(C)C)C(C3=CC=CC=C3)O4)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	4673.7	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #27	C[Si](C)(C)OCC1OC(OC2C(CO)OC(OC3=CC(O[Si](C)(C)C)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	4723.9	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #28	C[Si](C)(C)OCC1OC(OC2C(CO)OC(OC3=CC(O[Si](C)(C)C)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	4700.1	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #29	C[Si](C)(C)OCC1OC(OC2C(CO)OC(OC3=CC(O[Si](C)(C)C)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	4691.2	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C)OC(OC3=CC(O[Si](C)(C)C)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	4683.8	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #30	C[Si](C)(C)OCC1OC(OC2C(CO)OC(OC3=CC(O[Si](C)(C)C)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	4726.4	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #31	C[Si](C)(C)OCC1OC(OC2C(CO)OC(OC3=CC(O[Si](C)(C)C)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	4674.5	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #32	C[Si](C)(C)OCC1OC(OC2C(CO)OC(OC3=CC(O[Si](C)(C)C)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	4666.4	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #33	C[Si](C)(C)OCC1OC(OC2C(CO)OC(OC3=CC(O[Si](C)(C)C)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	4698.5	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #34	C[Si](C)(C)OCC1OC(OC2C(CO)OC(OC3=CC(O[Si](C)(C)C)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4679.9	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #35	C[Si](C)(C)OCC1OC(OC2C(CO)OC(OC3=CC(O[Si](C)(C)C)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4683.4	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #36	C[Si](C)(C)OCC1OC(OC2C(CO)OC(OC3=CC(O[Si](C)(C)C)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4697.3	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #37	C[Si](C)(C)OCC1OC(OC2C(CO)OC(OC3=CC(O)=CC4=C3C(=O)C(O[Si](C)(C)C)C(C3=CC=CC=C3)O4)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	4670.2	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #38	C[Si](C)(C)OCC1OC(OC2C(CO)OC(OC3=CC(O)=CC4=C3C(=O)C(O[Si](C)(C)C)C(C3=CC=CC=C3)O4)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	4639.8	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #39	C[Si](C)(C)OCC1OC(OC2C(CO)OC(OC3=CC(O)=CC4=C3C(=O)C(O[Si](C)(C)C)C(C3=CC=CC=C3)O4)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	4625.8	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C)OC(OC3=CC(O[Si](C)(C)C)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	4675.8	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #40	C[Si](C)(C)OCC1OC(OC2C(CO)OC(OC3=CC(O)=CC4=C3C(=O)C(O[Si](C)(C)C)C(C3=CC=CC=C3)O4)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	4669.6	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #41	C[Si](C)(C)OCC1OC(OC2C(CO)OC(OC3=CC(O)=CC4=C3C(=O)C(O[Si](C)(C)C)C(C3=CC=CC=C3)O4)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	4616.0	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #42	C[Si](C)(C)OCC1OC(OC2C(CO)OC(OC3=CC(O)=CC4=C3C(=O)C(O[Si](C)(C)C)C(C3=CC=CC=C3)O4)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	4597.6	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #43	C[Si](C)(C)OCC1OC(OC2C(CO)OC(OC3=CC(O)=CC4=C3C(=O)C(O[Si](C)(C)C)C(C3=CC=CC=C3)O4)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	4641.4	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #44	C[Si](C)(C)OCC1OC(OC2C(CO)OC(OC3=CC(O)=CC4=C3C(=O)C(O[Si](C)(C)C)C(C3=CC=CC=C3)O4)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4616.4	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #45	C[Si](C)(C)OCC1OC(OC2C(CO)OC(OC3=CC(O)=CC4=C3C(=O)C(O[Si](C)(C)C)C(C3=CC=CC=C3)O4)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4620.6	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #46	C[Si](C)(C)OCC1OC(OC2C(CO)OC(OC3=CC(O)=CC4=C3C(=O)C(O[Si](C)(C)C)C(C3=CC=CC=C3)O4)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4637.0	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #47	C[Si](C)(C)OCC1OC(OC2C(CO)OC(OC3=CC(O)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	4683.5	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #48	C[Si](C)(C)OCC1OC(OC2C(CO)OC(OC3=CC(O)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	4668.3	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #49	C[Si](C)(C)OCC1OC(OC2C(CO)OC(OC3=CC(O)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	4708.0	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C)OC(OC3=CC(O[Si](C)(C)C)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	4667.7	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #50	C[Si](C)(C)OCC1OC(OC2C(CO)OC(OC3=CC(O)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4664.4	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #51	C[Si](C)(C)OCC1OC(OC2C(CO)OC(OC3=CC(O)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4668.1	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #52	C[Si](C)(C)OCC1OC(OC2C(CO)OC(OC3=CC(O)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4682.7	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #53	C[Si](C)(C)OCC1OC(OC2C(CO)OC(OC3=CC(O)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4640.7	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #54	C[Si](C)(C)OCC1OC(OC2C(CO)OC(OC3=CC(O)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4642.7	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #55	C[Si](C)(C)OCC1OC(OC2C(CO)OC(OC3=CC(O)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4653.1	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #56	C[Si](C)(C)OCC1OC(OC2C(CO)OC(OC3=CC(O)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4656.8	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #57	C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=CC3=C2C(=O)C(O)C(C2=CC=CC=C2)O3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OC(CO)C(O)C(O)C1O	4754.1	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #58	C[Si](C)(C)OC1=CC(OC2OC(CO)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C2C(=O)C(O)C(C3=CC=CC=C3)OC2=C1	4756.2	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #59	C[Si](C)(C)OC1=CC(OC2OC(CO)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C2C(=O)C(O)C(C3=CC=CC=C3)OC2=C1	4701.6	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #6	C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=CC3=C2C(=O)C(O)C(C2=CC=CC=C2)O3)C(O)C(O)C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	4703.9	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #60	C[Si](C)(C)OC1=CC(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C2C(=O)C(O)C(C3=CC=CC=C3)OC2=C1	4727.9	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #61	C[Si](C)(C)OC1=CC(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C2C(=O)C(O[Si](C)(C)C)C(C3=CC=CC=C3)OC2=C1	4727.5	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #62	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=C2C(=O)C(O[Si](C)(C)C)C(C2=CC=CC=C2)O3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OC(CO)C(O)C(O)C1O	4709.4	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #63	C[Si](C)(C)OC1C(=O)C2=C(OC3OC(CO)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C=C(O)C=C2OC1C1=CC=CC=C1	4704.9	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #64	C[Si](C)(C)OC1C(=O)C2=C(OC3OC(CO)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C=C(O)C=C2OC1C1=CC=CC=C1	4650.1	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #65	C[Si](C)(C)OC1C(=O)C2=C(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C=C(O)C=C2OC1C1=CC=CC=C1	4669.6	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #66	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=C2C(=O)C(O)C(C2=CC=CC=C2)O3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O	4739.7	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #67	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=C2C(=O)C(O)C(C2=CC=CC=C2)O3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O	4682.7	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #68	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=C2C(=O)C(O)C(C2=CC=CC=C2)O3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C	4699.8	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #69	C[Si](C)(C)OC1C(CO)OC(OC2C(CO)OC(OC3=CC(O)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4695.5	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C)OC(OC3=CC(O)=CC4=C3C(=O)C(O[Si](C)(C)C)C(C3=CC=CC=C3)O4)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	4677.4	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #70	C[Si](C)(C)OC1C(CO)OC(OC2C(CO)OC(OC3=CC(O)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4709.6	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #71	C[Si](C)(C)OC1C(OC2C(CO)OC(OC3=CC(O)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C	4694.7	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #72	C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=CC3=C2C(=O)C(O[Si](C)(C)C)C(C2=CC=CC=C2)O3)C(O)C(O[Si](C)(C)C)C1OC1OC(CO)C(O)C(O)C1O	4683.0	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #73	C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=CC3=C2C(=O)C(O)C(C2=CC=CC=C2)O3)C(O)C(O[Si](C)(C)C)C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O	4723.0	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #74	C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=CC3=C2C(=O)C(O)C(C2=CC=CC=C2)O3)C(O)C(O[Si](C)(C)C)C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O	4671.4	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #75	C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=CC3=C2C(=O)C(O)C(C2=CC=CC=C2)O3)C(O)C(O[Si](C)(C)C)C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C	4686.7	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #76	C[Si](C)(C)OC1=CC(OC2OC(CO)C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C2O)=C2C(=O)C(O)C(C3=CC=CC=C3)OC2=C1	4688.4	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #77	C[Si](C)(C)OC1=CC(OC2OC(CO)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C2C(=O)C(O)C(C3=CC=CC=C3)OC2=C1	4679.7	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #78	C[Si](C)(C)OC1=CC(OC2OC(CO)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(O[Si](C)(C)C)C2O)=C2C(=O)C(O[Si](C)(C)C)C(C3=CC=CC=C3)OC2=C1	4684.2	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #79	C[Si](C)(C)OC1=CC(OC2OC(CO)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C2C(=O)C(O)C(C3=CC=CC=C3)OC2=C1	4674.6	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #8	C[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C)OC(OC3=CC(O)=CC4=C3C(=O)C(O[Si](C)(C)C)C(C3=CC=CC=C3)O4)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	4635.7	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #80	C[Si](C)(C)OC1=CC(OC2OC(CO)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C2O)=C2C(=O)C(O[Si](C)(C)C)C(C3=CC=CC=C3)OC2=C1	4629.8	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #81	C[Si](C)(C)OC1=CC(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C2C(=O)C(O[Si](C)(C)C)C(C3=CC=CC=C3)OC2=C1	4656.7	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #82	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=C2C(=O)C(O[Si](C)(C)C)C(C2=CC=CC=C2)O3)C(O)C(O[Si](C)(C)C)C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O	4667.8	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #83	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=C2C(=O)C(O[Si](C)(C)C)C(C2=CC=CC=C2)O3)C(O)C(O[Si](C)(C)C)C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O	4610.3	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #84	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=C2C(=O)C(O[Si](C)(C)C)C(C2=CC=CC=C2)O3)C(O)C(O[Si](C)(C)C)C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C	4631.8	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #85	C[Si](C)(C)OC1C(=O)C2=C(OC3OC(CO)C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C(O[Si](C)(C)C)C3O)C=C(O)C=C2OC1C1=CC=CC=C1	4636.5	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #86	C[Si](C)(C)OC1C(=O)C2=C(OC3OC(CO)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C=C(O)C=C2OC1C1=CC=CC=C1	4627.5	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #87	C[Si](C)(C)OC1C(=O)C2=C(OC3OC(CO)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C=C(O)C=C2OC1C1=CC=CC=C1	4619.6	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #88	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=C2C(=O)C(O)C(C2=CC=CC=C2)O3)C(O)C(O[Si](C)(C)C)C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4672.7	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #89	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=C2C(=O)C(O)C(C2=CC=CC=C2)O3)C(O)C(O[Si](C)(C)C)C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4662.2	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #9	C[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C)OC(OC3=CC(O)=CC4=C3C(=O)C(O[Si](C)(C)C)C(C3=CC=CC=C3)O4)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	4625.9	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #90	C[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=C2C(=O)C(O)C(C2=CC=CC=C2)O3)C(O)C(O[Si](C)(C)C)C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4657.2	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #91	C[Si](C)(C)OC1C(CO)OC(OC2C(CO)OC(OC3=CC(O)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4666.0	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #92	C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=CC3=C2C(=O)C(O[Si](C)(C)C)C(C2=CC=CC=C2)O3)C(O[Si](C)(C)C)C(O)C1OC1OC(CO)C(O)C(O)C1O	4718.3	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #93	C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=CC3=C2C(=O)C(O)C(C2=CC=CC=C2)O3)C(O[Si](C)(C)C)C(O)C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O	4751.6	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #94	C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=CC3=C2C(=O)C(O)C(C2=CC=CC=C2)O3)C(O[Si](C)(C)C)C(O)C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O	4697.4	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #95	C[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C)=CC3=C2C(=O)C(O)C(C2=CC=CC=C2)O3)C(O[Si](C)(C)C)C(O)C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C	4715.4	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #96	C[Si](C)(C)OC1=CC(OC2OC(CO)C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O)C2O[Si](C)(C)C)=C2C(=O)C(O)C(C3=CC=CC=C3)OC2=C1	4719.0	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #97	C[Si](C)(C)OC1=CC(OC2OC(CO)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C2C(=O)C(O)C(C3=CC=CC=C3)OC2=C1	4712.8	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #98	C[Si](C)(C)OC1=CC(OC2OC(CO)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(O)C2O[Si](C)(C)C)=C2C(=O)C(O[Si](C)(C)C)C(C3=CC=CC=C3)OC2=C1	4721.3	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],4TMS,isomer #99	C[Si](C)(C)OC1=CC(OC2OC(CO)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C2C(=O)C(O)C(C3=CC=CC=C3)OC2=C1	4705.6	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(CO)OC(OC3=CC(O)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O)C2O)C(O)C(O)C1O	5210.3	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1C(O)C(OC2=CC(O)=CC3=C2C(=O)C(O)C(C2=CC=CC=C2)O3)OC(CO)C1OC1OC(CO)C(O)C(O)C1O	5257.8	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1C(OC2=CC(O)=CC3=C2C(=O)C(O)C(C2=CC=CC=C2)O3)OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C1O	5266.8	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)=C2C(=O)C(O)C(C3=CC=CC=C3)OC2=C1	5237.3	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1C(=O)C2=C(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C=C(O)C=C2OC1C1=CC=CC=C1	5239.3	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=C2C(=O)C(O)C(C2=CC=CC=C2)O3)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O	5230.2	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1C(OC2C(CO)OC(OC3=CC(O)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O)C2O)OC(CO)C(O)C1O	5228.9	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],1TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2C(CO)OC(OC3=CC(O)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O)C2O)C1O	5213.7	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],1TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C(CO)OC(OC3=CC(O)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O)C2O)C(O)C1O	5242.0	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(CO[Si](C)(C)C(C)(C)C)OC(OC3=CC(O)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O)C2O)C(O)C(O)C1O	5238.9	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1=CC(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O[Si](C)(C)C(C)(C)C)C2O)=C2C(=O)C(O)C(C3=CC=CC=C3)OC2=C1	5293.8	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1C(=O)C2=C(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O[Si](C)(C)C(C)(C)C)C3O)C=C(O)C=C2OC1C1=CC=CC=C1	5296.1	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=C2C(=O)C(O)C(C2=CC=CC=C2)O3)C(O)C(O[Si](C)(C)C(C)(C)C)C1OC1OC(CO)C(O)C(O)C1O	5297.3	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C(CO)OC(OC3=CC(O)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C1O	5303.6	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2C(CO)OC(OC3=CC(O)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O)C2O[Si](C)(C)C(C)(C)C)C1O	5259.1	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1C(OC2C(CO)OC(OC3=CC(O)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O)C2O[Si](C)(C)C(C)(C)C)OC(CO)C(O)C1O	5272.9	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1=CC(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O[Si](C)(C)C(C)(C)C)=C2C(=O)C(O)C(C3=CC=CC=C3)OC2=C1	5313.0	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1C(=O)C2=C(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O[Si](C)(C)C(C)(C)C)C=C(O)C=C2OC1C1=CC=CC=C1	5316.3	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=C2C(=O)C(O)C(C2=CC=CC=C2)O3)C(O[Si](C)(C)C(C)(C)C)C(O)C1OC1OC(CO)C(O)C(O)C1O	5317.0	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C(CO)OC(OC3=CC(O)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1O	5322.8	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(CO)OC(OC3=CC(O[Si](C)(C)C(C)(C)C)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O)C2O)C(O)C(O)C1O	5261.5	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1C(OC2=CC(O)=CC3=C2C(=O)C(O)C(C2=CC=CC=C2)O3)OC(CO)C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C1O	5278.0	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1C(OC2C(CO)OC(OC3=CC(O)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O[Si](C)(C)C(C)(C)C)C2O)OC(CO)C(O)C1O	5293.5	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],2TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O[Si](C)(C)C(C)(C)C)=CC3=C2C(=O)C(O)C(C2=CC=CC=C2)O3)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O	5299.6	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],2TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC1=CC(OC2OC(CO)C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(O)C2O)=C2C(=O)C(O)C(C3=CC=CC=C3)OC2=C1	5279.4	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],2TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC1=CC(OC2OC(CO)C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(O)C2O)=C2C(=O)C(O)C(C3=CC=CC=C3)OC2=C1	5237.9	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],2TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC1=CC(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(O)C2O)=C2C(=O)C(O)C(C3=CC=CC=C3)OC2=C1	5250.5	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],2TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC1=CC(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)=C2C(=O)C(O[Si](C)(C)C(C)(C)C)C(C3=CC=CC=C3)OC2=C1	5282.3	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],2TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=C2C(=O)C(O[Si](C)(C)C(C)(C)C)C(C2=CC=CC=C2)O3)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O	5275.4	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],2TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC1C(=O)C2=C(OC3OC(CO)C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C(O)C3O)C=C(O)C=C2OC1C1=CC=CC=C1	5282.6	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],2TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC1C(=O)C2=C(OC3OC(CO)C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C(O)C3O)C=C(O)C=C2OC1C1=CC=CC=C1	5238.0	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(CO)OC(OC3=CC(O)=CC4=C3C(=O)C(O[Si](C)(C)C(C)(C)C)C(C3=CC=CC=C3)O4)C(O)C2O)C(O)C(O)C1O	5235.8	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],2TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC1C(=O)C2=C(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C(O)C3O)C=C(O)C=C2OC1C1=CC=CC=C1	5253.7	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],2TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=C2C(=O)C(O)C(C2=CC=CC=C2)O3)C(O)C(O)C1OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5280.2	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],2TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=C2C(=O)C(O)C(C2=CC=CC=C2)O3)C(O)C(O)C1OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5232.6	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],2TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=CC3=C2C(=O)C(O)C(C2=CC=CC=C2)O3)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5245.8	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],2TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C(CO)OC(OC3=CC(O)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C1O	5270.4	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],2TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC1C(OC2C(CO)OC(OC3=CC(O)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O)C2O)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C	5277.7	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],2TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C(CO)OC(OC3=CC(O)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O)C2O)C(O)C1O[Si](C)(C)C(C)(C)C	5279.6	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(CO)OC(OC3=CC(O)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O	5277.4	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(CO)OC(OC3=CC(O)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	5255.2	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(CO)OC(OC3=CC(O)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5240.9	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(CO)OC(OC3=CC(O)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5235.7	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(CO)OC(OC3=CC(O)=CC4=C3C(=O)C(O)C(C3=CC=CC=C3)O4)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5259.6	Semi standard non polar	33892256
Pinobanksin 5-[galactosyl-(1->4)-glucoside],2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1C(OC2=CC(O)=CC3=C2C(=O)C(O)C(C2=CC=CC=C2)O3)OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C1O[Si](C)(C)C(C)(C)C	5360.9	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 - Pinobanksin 5-[galactosyl-(1->4)-glucoside] GC-MS (Non-derivatized) - 70eV, Positive	splash10-00or-4421090000-7d5d7cd167c77e07caf1	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pinobanksin 5-[galactosyl-(1->4)-glucoside] GC-MS (1 TMS) - 70eV, Positive	splash10-0udi-6217109000-545ce28a8bfc139ff533	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pinobanksin 5-[galactosyl-(1->4)-glucoside] GC-MS ("Pinobanksin 5-[galactosyl-(1->4)-glucoside],1TMS,#1" TMS) - 70eV, Positive	Not Available	2021-10-14	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pinobanksin 5-[galactosyl-(1->4)-glucoside] GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pinobanksin 5-[galactosyl-(1->4)-glucoside] GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pinobanksin 5-[galactosyl-(1->4)-glucoside] GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pinobanksin 5-[galactosyl-(1->4)-glucoside] GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pinobanksin 5-[galactosyl-(1->4)-glucoside] GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pinobanksin 5-[galactosyl-(1->4)-glucoside] GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pinobanksin 5-[galactosyl-(1->4)-glucoside] GC-MS (TMS_1_8) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pinobanksin 5-[galactosyl-(1->4)-glucoside] GC-MS (TMS_1_9) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pinobanksin 5-[galactosyl-(1->4)-glucoside] GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pinobanksin 5-[galactosyl-(1->4)-glucoside] GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pinobanksin 5-[galactosyl-(1->4)-glucoside] GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pinobanksin 5-[galactosyl-(1->4)-glucoside] GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pinobanksin 5-[galactosyl-(1->4)-glucoside] GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pinobanksin 5-[galactosyl-(1->4)-glucoside] GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pinobanksin 5-[galactosyl-(1->4)-glucoside] GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pinobanksin 5-[galactosyl-(1->4)-glucoside] GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pinobanksin 5-[galactosyl-(1->4)-glucoside] GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pinobanksin 5-[galactosyl-(1->4)-glucoside] GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pinobanksin 5-[galactosyl-(1->4)-glucoside] GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pinobanksin 5-[galactosyl-(1->4)-glucoside] GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pinobanksin 5-[galactosyl-(1->4)-glucoside] GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pinobanksin 5-[galactosyl-(1->4)-glucoside] GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-10-16	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 - Pinobanksin 5-[galactosyl-(1->4)-glucoside] 10V, Positive-QTOF	splash10-00fr-0190650000-1d70ac63b1c08d7c4e0c	2016-06-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Pinobanksin 5-[galactosyl-(1->4)-glucoside] 20V, Positive-QTOF	splash10-05fr-0390300000-5dba06b620c60c0704c3	2016-06-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Pinobanksin 5-[galactosyl-(1->4)-glucoside] 40V, Positive-QTOF	splash10-0abi-2980100000-2a5bec507354b125898d	2016-06-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Pinobanksin 5-[galactosyl-(1->4)-glucoside] 10V, Negative-QTOF	splash10-0092-1480790000-139a730952b341ba0d22	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Pinobanksin 5-[galactosyl-(1->4)-glucoside] 20V, Negative-QTOF	splash10-00di-2690420000-f10ce77d6a2e3f063725	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Pinobanksin 5-[galactosyl-(1->4)-glucoside] 40V, Negative-QTOF	splash10-00di-3890000000-e2b247b686a88f4c5f1c	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Pinobanksin 5-[galactosyl-(1->4)-glucoside] 10V, Negative-QTOF	splash10-0002-0000090000-aa027952d40b35f4b506	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Pinobanksin 5-[galactosyl-(1->4)-glucoside] 20V, Negative-QTOF	splash10-002b-0000980000-6d435189b0cdbb5aa6c0	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Pinobanksin 5-[galactosyl-(1->4)-glucoside] 40V, Negative-QTOF	splash10-014i-0900500000-5fabfffef4114fc16a5f	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Pinobanksin 5-[galactosyl-(1->4)-glucoside] 10V, Positive-QTOF	splash10-0002-0000090000-8fd8829141b8d9134fb3	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Pinobanksin 5-[galactosyl-(1->4)-glucoside] 20V, Positive-QTOF	splash10-002b-0400960000-ee9d2ccd3dcd93ae241f	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Pinobanksin 5-[galactosyl-(1->4)-glucoside] 40V, Positive-QTOF	splash10-004i-0100900000-20a1ad047a4cfdf9d57e	2021-09-25	Wishart Lab	View Spectrum

NMR Spectra

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

FDB016582

KNApSAcK ID

C00008666

Chemspider ID

Not Available

KEGG Compound ID

C09826

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

131752199

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 Pinobanksin 5-[galactosyl-(1->4)-glucoside] (HMDB0037506)

MOL for HMDB0037506 (Pinobanksin 5-[galactosyl-(1->4)-glucoside])

3D MOL for HMDB0037506 (Pinobanksin 5-[galactosyl-(1->4)-glucoside])

3D SDF for HMDB0037506 (Pinobanksin 5-[galactosyl-(1->4)-glucoside])

3D-SDF for HMDB0037506 (Pinobanksin 5-[galactosyl-(1->4)-glucoside])

PDB for HMDB0037506 (Pinobanksin 5-[galactosyl-(1->4)-glucoside])

3D PDB for HMDB0037506 (Pinobanksin 5-[galactosyl-(1->4)-glucoside])

SMILES for HMDB0037506 (Pinobanksin 5-[galactosyl-(1->4)-glucoside])

INCHI for HMDB0037506 (Pinobanksin 5-[galactosyl-(1->4)-glucoside])

Structure for HMDB0037506 (Pinobanksin 5-[galactosyl-(1->4)-glucoside])

3D Structure for HMDB0037506 (Pinobanksin 5-[galactosyl-(1->4)-glucoside])

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra