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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 17:32:28 UTC

Update Date

2022-03-07 02:52:16 UTC

HMDB ID

HMDB0029766

Secondary Accession Numbers

HMDB29766

Metabolite Identification

Common Name

(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside]

Description

(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside] belongs to the class of organic compounds known as fatty acyl glycosides of mono- and disaccharides. Fatty acyl glycosides of mono- and disaccharides are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol. Based on a literature review a small amount of articles have been published on (3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside].

Structure

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

  Mrv0541 02241208522D          

 35 37  0  0  0  0            999 V2000
   -3.5030   -2.5220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5180   -3.3469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8100   -3.7717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0882   -3.3716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3816   -3.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2385   -3.7470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0732   -2.5468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3527   -2.1480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6462   -2.5729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0756   -2.1715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0908   -1.3466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7837   -2.5962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4834   -2.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4531   -1.3342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1241   -0.0735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7950    1.1871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4453    1.6945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2385    1.4676    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3386    2.4424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1635    2.4698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0479    3.2878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6982    3.7966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1 27  1  0  0  0  0
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  2  6  1  0  0  0  0
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  7 27  1  0  0  0  0
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 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 22  1  0  0  0  0
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 15 24  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
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 27 28  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 35  1  0  0  0  0
 33 34  1  0  0  0  0
M  END

HMDB0029766
     RDKit          3D
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside]
 75 77  0  0  0  0  0  0  0  0999 V2000
   -4.7223   -0.7628    2.4903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3677   -0.4059    1.1954 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.9380    1.3317    0.1932 C   0  0  0  0  0  0  0  0  0  0  0  0
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 35 75  1  0
M  END

  Mrv0541 02241208522D          

 35 37  0  0  0  0            999 V2000
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 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 24  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 30  1  0  0  0  0
 19 20  1  0  0  0  0
 19 32  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 29  1  0  0  0  0
 24 25  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 35  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0029766

> <DATABASE_NAME>
hmdb

> <SMILES>
CC(OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O)\C=C\C1C(C)=CC(O)CC1(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C24H40O11/c1-12-7-14(26)8-23(3,4)15(12)6-5-13(2)34-21-19(29)18(28)17(27)16(35-21)9-32-22-20(30)24(31,10-25)11-33-22/h5-7,13-22,25-31H,8-11H2,1-4H3/b6-5+

> <INCHI_KEY>
NQBMFFMRSAECDY-AATRIKPKSA-N

> <FORMULA>
C24H40O11

> <MOLECULAR_WEIGHT>
504.5678

> <EXACT_MASS>
504.257062122

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_AVERAGE_POLARIZABILITY>
52.99844636660084

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-{[(3E)-4-(4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl]oxy}oxane-3,4,5-triol

> <ALOGPS_LOGP>
-0.58

> <JCHEM_LOGP>
-1.1921893136666668

> <ALOGPS_LOGS>
-2.46

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.31795457530296

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.704884068636789

> <JCHEM_PKA_STRONGEST_BASIC>
-1.3910924253578054

> <JCHEM_POLAR_SURFACE_AREA>
178.52999999999997

> <JCHEM_REFRACTIVITY>
123.68799999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.75e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-{[(3E)-4-(4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl]oxy}oxane-3,4,5-triol

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0029766
     RDKit          3D
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside]
 75 77  0  0  0  0  0  0  0  0999 V2000
   -4.7223   -0.7628    2.4903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3677   -0.4059    1.1954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9990   -1.3806    0.5489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6889   -1.1955   -0.7434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0063   -1.6513   -0.5902 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5999    0.1609   -1.3160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3421    1.2672   -0.3664 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8274    2.4563   -1.1636 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6180    1.7614    0.3274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2977    0.9628    0.6772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9380    1.3317    0.1932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8946    0.5367    0.2155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5363    0.8898   -0.2622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5716    2.1177   -1.1679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8823   -0.1661   -0.8523 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2569   -0.5077   -0.1687 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3933   -0.3693   -0.9647 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5337   -0.4869   -0.1904 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7598   -0.2854   -1.0498 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9102   -0.4046   -0.2653 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0647   -0.2269   -1.0143 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7882   -1.4011   -0.9864 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6567   -1.2862    0.0973 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2172    0.1204   -0.1461 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0974    0.0876   -1.2008 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8876    0.6603    1.0876 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3295    1.9342    0.8237 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9387    0.8713   -0.4685 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3307    1.3248    0.7192 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6573   -1.8422    0.4678 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9127   -2.8589   -0.4336 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4034   -2.1110    1.2570 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2615   -1.0777    2.1971 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2336   -1.9704    0.2849 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4268   -2.7889   -0.8155 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9484   -0.0291    2.7920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5554   -0.8035    3.2483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3206   -1.8104    2.4654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0266   -2.3896    0.9731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2149   -1.9291   -1.4596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2925   -1.4083    0.3267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8377    0.1861   -2.1454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5731    0.3825   -1.8385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6956    2.7916   -1.7934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0236    2.1902   -1.8532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5921    3.3003   -0.4953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2542    2.4061    1.1732 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1945    0.9527    0.7708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2001    2.4361   -0.3359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5091    1.6542    1.5378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8135    2.3325   -0.2046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0344   -0.4694    0.6186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9548    1.1959    0.6358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6151    3.0148   -0.5168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6475    2.1997   -1.7670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4892    2.1221   -1.8088 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4298    0.1378    0.7313 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4816    0.2599    0.6262 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8097   -1.0822   -1.8116 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6772    0.7038   -1.5390 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7961   -0.0278   -2.0837 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0548   -1.2860    1.0257 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4380   -2.0527    0.0727 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7784    0.6522   -1.9655 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7777    0.0187    1.2774 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2448    0.5856    1.9796 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7063    2.4695    0.2711 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0989    1.7029   -1.1569 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3599    1.2720    0.6032 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5156   -1.7651    1.1884 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8900   -2.8819   -0.5765 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4007   -3.0904    1.7508 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4311   -1.4754    3.0913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6712   -2.2029    0.8536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1941   -3.5676   -0.8079 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  7 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 24 28  1  0
 28 29  1  0
 18 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 32 34  1  0
 34 35  1  0
 10  2  1  0
 34 16  1  0
 28 21  1  0
  1 36  1  0
  1 37  1  0
  1 38  1  0
  3 39  1  0
  4 40  1  0
  5 41  1  0
  6 42  1  0
  6 43  1  0
  8 44  1  0
  8 45  1  0
  8 46  1  0
  9 47  1  0
  9 48  1  0
  9 49  1  0
 10 50  1  0
 11 51  1  0
 12 52  1  0
 13 53  1  0
 14 54  1  0
 14 55  1  0
 14 56  1  0
 16 57  1  0
 18 58  1  0
 19 59  1  0
 19 60  1  0
 21 61  1  0
 23 62  1  0
 23 63  1  0
 25 64  1  0
 26 65  1  0
 26 66  1  0
 27 67  1  0
 28 68  1  0
 29 69  1  0
 30 70  1  0
 31 71  1  0
 32 72  1  0
 33 73  1  0
 34 74  1  0
 35 75  1  0
M  END

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0      -6.539  -4.708   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -6.567  -6.248   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -5.245  -7.041   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -3.898  -6.294   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -2.579  -7.087   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      -7.912  -6.994   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0      -3.870  -4.754   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -2.525  -4.010   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -1.206  -4.803   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.141  -4.053   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.169  -2.514   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       1.463  -4.846   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       2.769  -4.033   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       2.712  -2.491   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       4.016  -1.677   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       3.965  -0.137   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       5.271   0.676   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       5.217   2.216   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       6.431   3.163   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       7.912   2.740   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0       4.180  -6.291   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       4.127  -4.754   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       5.433  -3.935   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       5.379  -2.398   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       6.685  -1.585   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0      -6.162  -2.765   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -5.192  -3.961   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -4.180  -2.799   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       6.793  -4.662   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0       3.942   3.078   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       4.365   4.559   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       5.905   4.610   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       5.689   6.137   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0       6.903   7.087   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0       7.399   4.985   0.000  0.00  0.00           O+0
CONECT    1    2   27                                                       
CONECT    2    1    3    6                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    7                                                  
CONECT    5    4                                                            
CONECT    6    2                                                            
CONECT    7    4    8   27                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13                                                       
CONECT   13   12   14   22                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   24                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19   30                                                  
CONECT   19   18   20   32                                                  
CONECT   20   19                                                            
CONECT   21   22                                                            
CONECT   22   13   21   23                                                  
CONECT   23   22   24   29                                                  
CONECT   24   15   23   25                                                  
CONECT   25   24                                                            
CONECT   26   27                                                            
CONECT   27    1    7   26   28                                             
CONECT   28   27                                                            
CONECT   29   23                                                            
CONECT   30   18   31                                                       
CONECT   31   30   32                                                       
CONECT   32   19   31   33   35                                             
CONECT   33   32   34                                                       
CONECT   34   33                                                            
CONECT   35   32                                                            
MASTER        0    0    0    0    0    0    0    0   35    0   74    0
END

COMPND    HMDB0029766
HETATM    1  C1  UNL     1      -4.722  -0.763   2.490  1.00  0.00           C  
HETATM    2  C2  UNL     1      -5.368  -0.406   1.195  1.00  0.00           C  
HETATM    3  C3  UNL     1      -5.999  -1.381   0.549  1.00  0.00           C  
HETATM    4  C4  UNL     1      -6.689  -1.196  -0.743  1.00  0.00           C  
HETATM    5  O1  UNL     1      -8.006  -1.651  -0.590  1.00  0.00           O  
HETATM    6  C5  UNL     1      -6.600   0.161  -1.316  1.00  0.00           C  
HETATM    7  C6  UNL     1      -6.342   1.267  -0.366  1.00  0.00           C  
HETATM    8  C7  UNL     1      -5.827   2.456  -1.164  1.00  0.00           C  
HETATM    9  C8  UNL     1      -7.618   1.761   0.327  1.00  0.00           C  
HETATM   10  C9  UNL     1      -5.298   0.963   0.677  1.00  0.00           C  
HETATM   11  C10 UNL     1      -3.938   1.332   0.193  1.00  0.00           C  
HETATM   12  C11 UNL     1      -2.895   0.537   0.216  1.00  0.00           C  
HETATM   13  C12 UNL     1      -1.536   0.890  -0.262  1.00  0.00           C  
HETATM   14  C13 UNL     1      -1.572   2.118  -1.168  1.00  0.00           C  
HETATM   15  O2  UNL     1      -0.882  -0.166  -0.852  1.00  0.00           O  
HETATM   16  C14 UNL     1       0.257  -0.508  -0.169  1.00  0.00           C  
HETATM   17  O3  UNL     1       1.393  -0.369  -0.965  1.00  0.00           O  
HETATM   18  C15 UNL     1       2.534  -0.487  -0.190  1.00  0.00           C  
HETATM   19  C16 UNL     1       3.760  -0.285  -1.050  1.00  0.00           C  
HETATM   20  O4  UNL     1       4.910  -0.405  -0.265  1.00  0.00           O  
HETATM   21  C17 UNL     1       6.065  -0.227  -1.014  1.00  0.00           C  
HETATM   22  O5  UNL     1       6.788  -1.401  -0.986  1.00  0.00           O  
HETATM   23  C18 UNL     1       7.657  -1.286   0.097  1.00  0.00           C  
HETATM   24  C19 UNL     1       8.217   0.120  -0.146  1.00  0.00           C  
HETATM   25  O6  UNL     1       9.097   0.088  -1.201  1.00  0.00           O  
HETATM   26  C20 UNL     1       8.888   0.660   1.088  1.00  0.00           C  
HETATM   27  O7  UNL     1       9.329   1.934   0.824  1.00  0.00           O  
HETATM   28  C21 UNL     1       6.939   0.871  -0.468  1.00  0.00           C  
HETATM   29  O8  UNL     1       6.331   1.325   0.719  1.00  0.00           O  
HETATM   30  C22 UNL     1       2.657  -1.842   0.468  1.00  0.00           C  
HETATM   31  O9  UNL     1       2.913  -2.859  -0.434  1.00  0.00           O  
HETATM   32  C23 UNL     1       1.403  -2.111   1.257  1.00  0.00           C  
HETATM   33  O10 UNL     1       1.261  -1.078   2.197  1.00  0.00           O  
HETATM   34  C24 UNL     1       0.234  -1.970   0.285  1.00  0.00           C  
HETATM   35  O11 UNL     1       0.427  -2.789  -0.815  1.00  0.00           O  
HETATM   36  H1  UNL     1      -3.948  -0.029   2.792  1.00  0.00           H  
HETATM   37  H2  UNL     1      -5.555  -0.803   3.248  1.00  0.00           H  
HETATM   38  H3  UNL     1      -4.321  -1.810   2.465  1.00  0.00           H  
HETATM   39  H4  UNL     1      -6.027  -2.390   0.973  1.00  0.00           H  
HETATM   40  H5  UNL     1      -6.215  -1.929  -1.460  1.00  0.00           H  
HETATM   41  H6  UNL     1      -8.293  -1.408   0.327  1.00  0.00           H  
HETATM   42  H7  UNL     1      -5.838   0.186  -2.145  1.00  0.00           H  
HETATM   43  H8  UNL     1      -7.573   0.382  -1.839  1.00  0.00           H  
HETATM   44  H9  UNL     1      -6.696   2.792  -1.793  1.00  0.00           H  
HETATM   45  H10 UNL     1      -5.024   2.190  -1.853  1.00  0.00           H  
HETATM   46  H11 UNL     1      -5.592   3.300  -0.495  1.00  0.00           H  
HETATM   47  H12 UNL     1      -7.254   2.406   1.173  1.00  0.00           H  
HETATM   48  H13 UNL     1      -8.194   0.953   0.771  1.00  0.00           H  
HETATM   49  H14 UNL     1      -8.200   2.436  -0.336  1.00  0.00           H  
HETATM   50  H15 UNL     1      -5.509   1.654   1.538  1.00  0.00           H  
HETATM   51  H16 UNL     1      -3.813   2.333  -0.205  1.00  0.00           H  
HETATM   52  H17 UNL     1      -3.034  -0.469   0.619  1.00  0.00           H  
HETATM   53  H18 UNL     1      -0.955   1.196   0.636  1.00  0.00           H  
HETATM   54  H19 UNL     1      -1.615   3.015  -0.517  1.00  0.00           H  
HETATM   55  H20 UNL     1      -0.647   2.200  -1.767  1.00  0.00           H  
HETATM   56  H21 UNL     1      -2.489   2.122  -1.809  1.00  0.00           H  
HETATM   57  H22 UNL     1       0.430   0.138   0.731  1.00  0.00           H  
HETATM   58  H23 UNL     1       2.482   0.260   0.626  1.00  0.00           H  
HETATM   59  H24 UNL     1       3.810  -1.082  -1.812  1.00  0.00           H  
HETATM   60  H25 UNL     1       3.677   0.704  -1.539  1.00  0.00           H  
HETATM   61  H26 UNL     1       5.796  -0.028  -2.084  1.00  0.00           H  
HETATM   62  H27 UNL     1       7.055  -1.286   1.026  1.00  0.00           H  
HETATM   63  H28 UNL     1       8.438  -2.053   0.073  1.00  0.00           H  
HETATM   64  H29 UNL     1       8.778   0.652  -1.965  1.00  0.00           H  
HETATM   65  H30 UNL     1       9.778   0.019   1.277  1.00  0.00           H  
HETATM   66  H31 UNL     1       8.245   0.586   1.980  1.00  0.00           H  
HETATM   67  H32 UNL     1       8.706   2.470   0.271  1.00  0.00           H  
HETATM   68  H33 UNL     1       7.099   1.703  -1.157  1.00  0.00           H  
HETATM   69  H34 UNL     1       5.360   1.272   0.603  1.00  0.00           H  
HETATM   70  H35 UNL     1       3.516  -1.765   1.188  1.00  0.00           H  
HETATM   71  H36 UNL     1       3.890  -2.882  -0.576  1.00  0.00           H  
HETATM   72  H37 UNL     1       1.401  -3.090   1.751  1.00  0.00           H  
HETATM   73  H38 UNL     1       1.431  -1.475   3.091  1.00  0.00           H  
HETATM   74  H39 UNL     1      -0.671  -2.203   0.854  1.00  0.00           H  
HETATM   75  H40 UNL     1      -0.194  -3.568  -0.808  1.00  0.00           H  
CONECT    1    2   36   37   38
CONECT    2    3    3   10
CONECT    3    4   39
CONECT    4    5    6   40
CONECT    5   41
CONECT    6    7   42   43
CONECT    7    8    9   10
CONECT    8   44   45   46
CONECT    9   47   48   49
CONECT   10   11   50
CONECT   11   12   12   51
CONECT   12   13   52
CONECT   13   14   15   53
CONECT   14   54   55   56
CONECT   15   16
CONECT   16   17   34   57
CONECT   17   18
CONECT   18   19   30   58
CONECT   19   20   59   60
CONECT   20   21
CONECT   21   22   28   61
CONECT   22   23
CONECT   23   24   62   63
CONECT   24   25   26   28
CONECT   25   64
CONECT   26   27   65   66
CONECT   27   67
CONECT   28   29   68
CONECT   29   69
CONECT   30   31   32   70
CONECT   31   71
CONECT   32   33   34   72
CONECT   33   73
CONECT   34   35   74
CONECT   35   75
END

HMDB0029766
     RDKit          3D
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside]
 75 77  0  0  0  0  0  0  0  0999 V2000
   -4.7223   -0.7628    2.4903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3677   -0.4059    1.1954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9990   -1.3806    0.5489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6889   -1.1955   -0.7434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0063   -1.6513   -0.5902 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5999    0.1609   -1.3160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3421    1.2672   -0.3664 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8274    2.4563   -1.1636 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6180    1.7614    0.3274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2977    0.9628    0.6772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9380    1.3317    0.1932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8946    0.5367    0.2155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5363    0.8898   -0.2622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5716    2.1177   -1.1679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8823   -0.1661   -0.8523 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2569   -0.5077   -0.1687 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3933   -0.3693   -0.9647 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5337   -0.4869   -0.1904 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7598   -0.2854   -1.0498 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9102   -0.4046   -0.2653 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0647   -0.2269   -1.0143 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7882   -1.4011   -0.9864 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6567   -1.2862    0.0973 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2172    0.1204   -0.1461 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0974    0.0876   -1.2008 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8876    0.6603    1.0876 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3295    1.9342    0.8237 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9387    0.8713   -0.4685 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3307    1.3248    0.7192 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6573   -1.8422    0.4678 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9127   -2.8589   -0.4336 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4034   -2.1110    1.2570 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2615   -1.0777    2.1971 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2336   -1.9704    0.2849 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4268   -2.7889   -0.8155 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9484   -0.0291    2.7920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5554   -0.8035    3.2483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3206   -1.8104    2.4654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0266   -2.3896    0.9731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2149   -1.9291   -1.4596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2925   -1.4083    0.3267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8377    0.1861   -2.1454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5731    0.3825   -1.8385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6956    2.7916   -1.7934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0236    2.1902   -1.8532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5921    3.3003   -0.4953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2542    2.4061    1.1732 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1945    0.9527    0.7708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2001    2.4361   -0.3359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5091    1.6542    1.5378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8135    2.3325   -0.2046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0344   -0.4694    0.6186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9548    1.1959    0.6358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6151    3.0148   -0.5168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6475    2.1997   -1.7670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4892    2.1221   -1.8088 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4298    0.1378    0.7313 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4816    0.2599    0.6262 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8097   -1.0822   -1.8116 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6772    0.7038   -1.5390 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7961   -0.0278   -2.0837 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0548   -1.2860    1.0257 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4380   -2.0527    0.0727 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7784    0.6522   -1.9655 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7777    0.0187    1.2774 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2448    0.5856    1.9796 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7063    2.4695    0.2711 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0989    1.7029   -1.1569 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3599    1.2720    0.6032 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5156   -1.7651    1.1884 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8900   -2.8819   -0.5765 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4007   -3.0904    1.7508 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4311   -1.4754    3.0913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6712   -2.2029    0.8536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1941   -3.5676   -0.8079 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  7 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 24 28  1  0
 28 29  1  0
 18 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 32 34  1  0
 34 35  1  0
 10  2  1  0
 34 16  1  0
 28 21  1  0
  1 36  1  0
  1 37  1  0
  1 38  1  0
  3 39  1  0
  4 40  1  0
  5 41  1  0
  6 42  1  0
  6 43  1  0
  8 44  1  0
  8 45  1  0
  8 46  1  0
  9 47  1  0
  9 48  1  0
  9 49  1  0
 10 50  1  0
 11 51  1  0
 12 52  1  0
 13 53  1  0
 14 54  1  0
 14 55  1  0
 14 56  1  0
 16 57  1  0
 18 58  1  0
 19 59  1  0
 19 60  1  0
 21 61  1  0
 23 62  1  0
 23 63  1  0
 25 64  1  0
 26 65  1  0
 26 66  1  0
 27 67  1  0
 28 68  1  0
 29 69  1  0
 30 70  1  0
 31 71  1  0
 32 72  1  0
 33 73  1  0
 34 74  1  0
 35 75  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Not Available

Chemical Formula

C₂₄H₄₀O₁₁

Average Molecular Weight

504.5678

Monoisotopic Molecular Weight

504.257062122

IUPAC Name

2-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-{[(3E)-4-(4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl]oxy}oxane-3,4,5-triol

Traditional Name

2-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-{[(3E)-4-(4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl]oxy}oxane-3,4,5-triol

CAS Registry Number

Not Available

SMILES

CC(OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O)\C=C\C1C(C)=CC(O)CC1(C)C

InChI Identifier

InChI=1S/C24H40O11/c1-12-7-14(26)8-23(3,4)15(12)6-5-13(2)34-21-19(29)18(28)17(27)16(35-21)9-32-22-20(30)24(31,10-25)11-33-22/h5-7,13-22,25-31H,8-11H2,1-4H3/b6-5+

InChI Key

NQBMFFMRSAECDY-AATRIKPKSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as fatty acyl glycosides of mono- and disaccharides. Fatty acyl glycosides of mono- and disaccharides are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty acyl glycosides

Direct Parent

Fatty acyl glycosides of mono- and disaccharides

Alternative Parents

Substituents

Fatty acyl glycoside of mono- or disaccharide
Sesquiterpenoid
Megastigmane sesquiterpenoid
Cyclofarsesane sesquiterpenoid
Ionone derivative
Alkyl glycoside
Disaccharide
Glycosyl compound
O-glycosyl compound
Oxane
Tetrahydrofuran
Tertiary alcohol
Secondary alcohol
Polyol
Oxacycle
Organoheterocyclic compound
Acetal
Primary alcohol
Organooxygen compound
Organic oxygen compound
Alcohol
Hydrocarbon derivative
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Excreta

Biofluid or Excreta

Urine (HMDB: HMDB0029766)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0029766)

Source

Endogenous

Endogenous (HMDB: HMDB0029766)

Plant

Plant (HMDB: HMDB0029766)

Animal

Animal (HMDB: HMDB0029766)

Exogenous

Food

Food (HMDB: HMDB0029766)

Fruit

Fruits (FooDB: FOOD00871)

Exogenous (HMDB: HMDB0029766)

Process

Naturally occurring process

Biological process

Chemical reaction

Lipid Peroxidation (HMDB: HMDB0029766)

Biochemical pathway

Metabolic pathway

Fatty Acid Metabolism (HMDB: HMDB0029766)

Lipid metabolism pathway (HMDB: HMDB0029766)

Biochemical process

Lipid transport (HMDB: HMDB0029766)

Role

Biological role

Energy source (HMDB: HMDB0029766)

Physical Properties

State

Not Available

Experimental Molecular Properties

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

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	1.75 g/L	ALOGPS
logP	-0.58	ALOGPS
logP	-1.2	ChemAxon
logS	-2.5	ALOGPS
pKa (Strongest Acidic)	11.7	ChemAxon
pKa (Strongest Basic)	-1.4	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	178.53 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	123.69 m³·mol⁻¹	ChemAxon
Polarizability	53 Å³	ChemAxon
Number of Rings	3	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]+	214.678	31661259
DarkChem	[M-H]-	207.826	31661259
DeepCCS	[M+H]+	214.418	30932474
DeepCCS	[M-H]-	212.022	30932474
DeepCCS	[M-2H]-	244.905	30932474
DeepCCS	[M+Na]+	220.345	30932474
AllCCS	[M+H]+	221.3	32859911
AllCCS	[M+H-H2O]+	219.7	32859911
AllCCS	[M+NH4]+	222.8	32859911
AllCCS	[M+Na]+	223.2	32859911
AllCCS	[M-H]-	212.2	32859911
AllCCS	[M+Na-2H]-	214.3	32859911
AllCCS	[M+HCOO]-	216.7	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside]	CC(OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O)\C=C\C1C(C)=CC(O)CC1(C)C	3438.0	Standard polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside]	CC(OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O)\C=C\C1C(C)=CC(O)CC1(C)C	3502.0	Standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside]	CC(OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O)\C=C\C1C(C)=CC(O)CC1(C)C	3755.4	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],1TMS,isomer #1	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O)C(O)C(O)C1O	3747.8	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],1TMS,isomer #2	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O)C(O)C(O)C1O	3704.5	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],1TMS,isomer #3	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C)C(O)C(O)C1O	3751.8	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],1TMS,isomer #4	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O[Si](C)(C)C)C(O)C1O	3731.1	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],1TMS,isomer #5	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O[Si](C)(C)C)C1O	3710.5	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],1TMS,isomer #6	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O[Si](C)(C)C	3717.9	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],1TMS,isomer #7	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O	3687.5	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],2TMS,isomer #1	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O)C(O)C(O)C1O	3603.4	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],2TMS,isomer #10	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	3600.9	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],2TMS,isomer #11	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	3606.0	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],2TMS,isomer #12	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C)C(O)C(O)C1O	3598.5	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],2TMS,isomer #13	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	3648.2	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],2TMS,isomer #14	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	3626.8	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],2TMS,isomer #15	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	3636.0	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],2TMS,isomer #16	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O[Si](C)(C)C)C(O)C1O	3587.9	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],2TMS,isomer #17	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3628.4	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],2TMS,isomer #18	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3628.5	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],2TMS,isomer #19	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O[Si](C)(C)C)C1O	3556.4	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],2TMS,isomer #2	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C2O)C(O)C(O)C1O	3633.5	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],2TMS,isomer #20	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3634.2	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],2TMS,isomer #21	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O[Si](C)(C)C	3575.1	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],2TMS,isomer #3	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	3673.8	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],2TMS,isomer #4	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	3663.2	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],2TMS,isomer #5	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	3646.1	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],2TMS,isomer #6	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	3655.3	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],2TMS,isomer #7	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O)C(O)C(O)C1O	3556.8	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],2TMS,isomer #8	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	3624.8	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],2TMS,isomer #9	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	3616.7	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],3TMS,isomer #1	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C2O)C(O)C(O)C1O	3509.6	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],3TMS,isomer #10	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	3584.4	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],3TMS,isomer #11	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	3557.3	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],3TMS,isomer #12	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	3558.7	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],3TMS,isomer #13	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3565.8	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],3TMS,isomer #14	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3570.4	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],3TMS,isomer #15	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3561.1	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],3TMS,isomer #16	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	3479.6	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],3TMS,isomer #17	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	3473.8	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],3TMS,isomer #18	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	3444.9	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],3TMS,isomer #19	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	3455.3	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],3TMS,isomer #2	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	3531.8	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],3TMS,isomer #20	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	3530.8	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],3TMS,isomer #21	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	3507.9	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],3TMS,isomer #22	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	3506.4	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],3TMS,isomer #23	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3500.1	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],3TMS,isomer #24	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3513.3	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],3TMS,isomer #25	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3495.4	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],3TMS,isomer #26	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	3504.1	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],3TMS,isomer #27	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	3468.4	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],3TMS,isomer #28	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	3480.2	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],3TMS,isomer #29	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3528.3	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],3TMS,isomer #3	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	3532.2	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],3TMS,isomer #30	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3530.0	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],3TMS,isomer #31	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3523.2	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],3TMS,isomer #32	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3472.8	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],3TMS,isomer #33	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3484.6	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],3TMS,isomer #34	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3547.4	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],3TMS,isomer #35	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3473.2	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],3TMS,isomer #4	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	3505.6	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],3TMS,isomer #5	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	3513.0	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],3TMS,isomer #6	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	3572.8	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],3TMS,isomer #7	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	3564.1	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],3TMS,isomer #8	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	3545.0	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],3TMS,isomer #9	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	3541.1	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #1	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	3452.8	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #10	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3420.3	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #11	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	3502.4	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #12	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	3467.5	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #13	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	3475.2	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #14	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3463.9	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #15	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3468.9	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #16	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3457.7	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #17	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3485.8	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #18	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3485.2	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #19	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3481.3	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #2	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	3435.6	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #20	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3493.2	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #21	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	3395.3	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #22	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	3363.1	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #23	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	3369.4	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #24	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3367.8	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #25	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3382.7	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #26	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3369.3	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #27	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3420.2	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #28	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3425.9	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #29	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3414.1	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #3	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	3408.8	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #30	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3422.7	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #31	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3394.9	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #32	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3403.2	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #33	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3392.7	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #34	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3448.0	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #35	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3410.8	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #4	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	3410.8	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #5	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	3462.9	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #6	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	3427.9	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #7	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	3439.6	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #8	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3425.5	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #9	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3434.8	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],5TMS,isomer #1	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	3384.1	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],5TMS,isomer #10	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3364.2	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],5TMS,isomer #11	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3405.2	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],5TMS,isomer #12	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3412.8	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],5TMS,isomer #13	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3399.8	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],5TMS,isomer #14	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3396.9	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],5TMS,isomer #15	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3417.1	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],5TMS,isomer #16	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3296.4	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],5TMS,isomer #17	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3310.8	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],5TMS,isomer #18	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3292.5	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],5TMS,isomer #19	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3308.6	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],5TMS,isomer #2	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	3350.1	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],5TMS,isomer #20	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3346.0	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],5TMS,isomer #21	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3327.1	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],5TMS,isomer #3	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	3356.5	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],5TMS,isomer #4	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3340.5	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],5TMS,isomer #5	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3353.3	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],5TMS,isomer #6	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3334.5	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],5TMS,isomer #7	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3360.4	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],5TMS,isomer #8	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3370.1	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],5TMS,isomer #9	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3356.2	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],1TBDMS,isomer #1	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O	3968.6	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],1TBDMS,isomer #2	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O	3920.7	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],1TBDMS,isomer #3	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	3966.8	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],1TBDMS,isomer #4	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3962.3	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],1TBDMS,isomer #5	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3939.5	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],1TBDMS,isomer #6	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3952.8	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],1TBDMS,isomer #7	CC1=CC(O[Si](C)(C)C(C)(C)C)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O	3914.2	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],2TBDMS,isomer #1	CC1=CC(O[Si](C)(C)C(C)(C)C)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O	4043.8	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],2TBDMS,isomer #10	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C(C)(C)C)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4050.0	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],2TBDMS,isomer #11	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4040.8	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],2TBDMS,isomer #12	CC1=CC(O[Si](C)(C)C(C)(C)C)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	4015.2	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],2TBDMS,isomer #13	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4087.1	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],2TBDMS,isomer #14	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4073.1	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],2TBDMS,isomer #15	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4069.9	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],2TBDMS,isomer #16	CC1=CC(O[Si](C)(C)C(C)(C)C)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4015.6	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],2TBDMS,isomer #17	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	4086.1	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],2TBDMS,isomer #18	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4077.8	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],2TBDMS,isomer #19	CC1=CC(O[Si](C)(C)C(C)(C)C)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3995.3	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],2TBDMS,isomer #2	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(CO[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O	4072.4	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],2TBDMS,isomer #20	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4083.3	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],2TBDMS,isomer #21	CC1=CC(O[Si](C)(C)C(C)(C)C)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3998.1	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],2TBDMS,isomer #3	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	4130.0	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],2TBDMS,isomer #4	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4112.3	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],2TBDMS,isomer #5	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4103.6	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],2TBDMS,isomer #6	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4097.1	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],2TBDMS,isomer #7	CC1=CC(O[Si](C)(C)C(C)(C)C)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O	3987.7	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],2TBDMS,isomer #8	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	4053.5	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],2TBDMS,isomer #9	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4057.1	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #1	CC1=CC(O[Si](C)(C)C(C)(C)C)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(CO[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O	4102.6	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #10	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4218.7	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #11	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4213.9	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #12	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4195.0	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #13	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	4205.0	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #14	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4195.1	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #15	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4197.0	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #16	CC1=CC(O[Si](C)(C)C(C)(C)C)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	4085.5	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #17	CC1=CC(O[Si](C)(C)C(C)(C)C)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4099.1	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #18	CC1=CC(O[Si](C)(C)C(C)(C)C)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C(C)(C)C)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4097.1	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #19	CC1=CC(O[Si](C)(C)C(C)(C)C)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4078.9	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #2	CC1=CC(O[Si](C)(C)C(C)(C)C)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	4155.0	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #20	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4152.0	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #21	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4160.2	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #22	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4130.1	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #23	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	4158.9	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #24	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4152.6	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #25	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C(C)(C)C)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4152.1	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #26	CC1=CC(O[Si](C)(C)C(C)(C)C)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4113.3	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #27	CC1=CC(O[Si](C)(C)C(C)(C)C)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4105.5	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #28	CC1=CC(O[Si](C)(C)C(C)(C)C)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4092.0	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #29	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	4187.5	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #3	CC1=CC(O[Si](C)(C)C(C)(C)C)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4135.9	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #30	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4177.1	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #31	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4180.9	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #32	CC1=CC(O[Si](C)(C)C(C)(C)C)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	4111.3	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #33	CC1=CC(O[Si](C)(C)C(C)(C)C)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4102.3	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #34	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4188.1	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #35	CC1=CC(O[Si](C)(C)C(C)(C)C)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4102.0	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #4	CC1=CC(O[Si](C)(C)C(C)(C)C)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4137.4	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #5	CC1=CC(O[Si](C)(C)C(C)(C)C)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4116.9	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #6	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(CO[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	4202.8	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #7	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(CO[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4171.6	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #8	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(CO[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4179.0	Semi standard non polar	33892256
(3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #9	CC1=CC(O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(CO[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4148.5	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 - (3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside] GC-MS (Non-derivatized) - 70eV, Positive	splash10-007c-4331900000-e42423daf1b75091b859	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside] GC-MS (2 TMS) - 70eV, Positive	splash10-001i-2441109000-06639671a2d4ffc9a940	2017-10-06	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 - (3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside] 10V, Positive-QTOF	splash10-06rf-0952720000-458c1be3f24ca6360041	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside] 20V, Positive-QTOF	splash10-01ox-0931000000-3b27fd6c4c51d7a01c6a	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside] 40V, Positive-QTOF	splash10-03dl-2930000000-c2a0dbb8b106112a7707	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside] 10V, Negative-QTOF	splash10-0zml-0962740000-8e3a74aa192bc2d8a82f	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside] 20V, Negative-QTOF	splash10-0a4l-0951200000-cfac181577d8cdf79f70	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside] 40V, Negative-QTOF	splash10-0a4l-2940000000-8168af7cea9a48a07edf	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside] 10V, Positive-QTOF	splash10-06r6-0910210000-81ae727c36a60ed48b65	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside] 20V, Positive-QTOF	splash10-007x-0901300000-01729e059a5f4b4dadcf	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside] 40V, Positive-QTOF	splash10-002u-3931000000-30bb2a0ed08c7eba5201	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside] 10V, Negative-QTOF	splash10-0zfr-0391280000-580d4c2d83766dc682d7	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside] 20V, Negative-QTOF	splash10-00di-9613200000-5633068c0a647dc8cc05	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside] 40V, Negative-QTOF	splash10-0pba-7911000000-e9bd7cd8cc7d9a878f3a	2021-09-23	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-30	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

FDB000973

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

131750894

PDB ID

Not Available

ChEBI ID

168330

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

Simons K, Toomre D: Lipid rafts and signal transduction. Nat Rev Mol Cell Biol. 2000 Oct;1(1):31-9. [PubMed:11413487 ]
Watson AD: Thematic review series: systems biology approaches to metabolic and cardiovascular disorders. Lipidomics: a global approach to lipid analysis in biological systems. J Lipid Res. 2006 Oct;47(10):2101-11. Epub 2006 Aug 10. [PubMed:16902246 ]
Sethi JK, Vidal-Puig AJ: Thematic review series: adipocyte biology. Adipose tissue function and plasticity orchestrate nutritional adaptation. J Lipid Res. 2007 Jun;48(6):1253-62. Epub 2007 Mar 20. [PubMed:17374880 ]
Lingwood D, Simons K: Lipid rafts as a membrane-organizing principle. Science. 2010 Jan 1;327(5961):46-50. doi: 10.1126/science.1174621. [PubMed:20044567 ]
(). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.

Showing metabocard for (3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside] (HMDB0029766)

MOL for HMDB0029766 ((3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside])

3D MOL for HMDB0029766 ((3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside])

3D SDF for HMDB0029766 ((3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside])

3D-SDF for HMDB0029766 ((3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside])

PDB for HMDB0029766 ((3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside])

3D PDB for HMDB0029766 ((3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside])

SMILES for HMDB0029766 ((3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside])

INCHI for HMDB0029766 ((3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside])

Structure for HMDB0029766 ((3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside])

3D Structure for HMDB0029766 ((3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside])

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra