Hmdb loader

Showing metabocard for Corchoionoside B (HMDB0030975)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:40:09 UTC
Update Date2022-03-07 02:52:46 UTC
HMDB IDHMDB0030975
Secondary Accession Numbers
  • HMDB30975
Metabolite Identification
Common NameCorchoionoside B
DescriptionCorchoionoside B 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 Corchoionoside B.
Structure
Data?1563862065
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0030975 (Corchoionoside B)


  Mrv0541 05061305382D          

 28 29  0  0  0  0            999 V2000
   -0.2822    6.5502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2380    5.9945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7077    6.9130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9592    7.9575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2414    7.1822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9966    5.3127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4256    5.3127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5484   11.8337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2074    9.3647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9966    6.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4895    8.5895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7111    4.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3609   11.6905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8912   12.3224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7036   12.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9858   11.4039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4555   10.7719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4256    6.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7111    6.5502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2662   12.6090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3020    8.4462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7111    4.0752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6090   13.0977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2339   12.8112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7983   11.2607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1808    7.1822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7377    9.9967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6430   10.9152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  4  2  0  0  0  0
 10  1  1  0  0  0  0
 10  6  2  0  0  0  0
 11  4  1  0  0  0  0
 11  9  1  0  0  0  0
 12  6  1  0  0  0  0
 12  7  1  0  0  0  0
 13  8  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18  2  1  0  0  0  0
 18  3  1  0  0  0  0
 18  7  1  0  0  0  0
 19  5  1  0  0  0  0
 19 10  1  0  0  0  0
 19 18  1  0  0  0  0
 20  8  1  0  0  0  0
 21 11  2  0  0  0  0
 22 12  2  0  0  0  0
 23 14  1  0  0  0  0
 24 15  1  0  0  0  0
 25 16  1  0  0  0  0
 26 19  1  0  0  0  0
 27  9  1  0  0  0  0
 27 17  1  0  0  0  0
 28 13  1  0  0  0  0
 28 17  1  0  0  0  0
M  END
Download

3D MOL for HMDB0030975 (Corchoionoside B)

HMDB0030975
     RDKit          3D
Corchoionoside B
 56 57  0  0  0  0  0  0  0  0999 V2000
    3.2403   -2.5675   -0.6727 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0775   -1.3488   -0.4912 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3613   -1.4545   -0.1946 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1182   -0.2213   -0.0315 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3292   -0.1836   -0.3800 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4420    0.9569    0.5410 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9512    0.8387    0.5415 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4513    0.1712    1.8289 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3563    2.2278    0.5167 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5229    0.0204   -0.6338 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0535    0.6337   -1.7887 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0517   -0.0100   -0.8172 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5796   -0.1894   -2.0267 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1551   -0.2260   -2.2530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3029   -0.4006   -3.4297 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7673   -0.0609   -1.1190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0799   -0.1304   -1.5734 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9269    0.0239   -0.5124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7546   -1.0770   -0.2962 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2767   -0.9419    0.9884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9125   -2.2242    1.4744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4201   -2.0482    2.7569 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2004    0.2312    1.0253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5167   -0.1583    1.2592 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1788    0.9617   -0.3133 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8805    2.1553   -0.2425 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7542    1.2779   -0.7254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2544    2.3324    0.0088 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2448   -2.4467   -0.1912 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7474   -3.3898   -0.1328 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1284   -2.7493   -1.7515 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8410   -2.4288   -0.0763 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8655    1.1271    1.5630 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7774    1.8500   -0.0609 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6345   -0.9191    1.7730 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9678    0.6319    2.7074 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3784    0.3918    1.9399 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4287    2.2870    1.1273 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0911    2.9101    1.0021 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2002    2.6112   -0.5093 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4005    1.3072   -2.0798 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3728    0.1146    0.0388 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2501   -0.3097   -2.8527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5375   -0.8528   -0.3766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6322    0.9038   -0.5865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3392    0.1614    0.4142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3873   -0.7252    1.6502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1281   -3.0035    1.4823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6917   -2.5519    0.7574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3969   -1.9464    2.7856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9164    0.9887    1.8049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0733    0.6598    1.2207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5927    0.2685   -1.0641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3019    2.9576   -0.3882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7906    1.5722   -1.7920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0055    1.9918    0.9096 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  2  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
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 14 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
 20 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 10  2  1  0
 27 18  1  0
  1 29  1  0
  1 30  1  0
  1 31  1  0
  3 32  1  0
  6 33  1  0
  6 34  1  0
  8 35  1  0
  8 36  1  0
  8 37  1  0
  9 38  1  0
  9 39  1  0
  9 40  1  0
 11 41  1  0
 12 42  1  0
 13 43  1  0
 16 44  1  0
 16 45  1  0
 18 46  1  0
 20 47  1  0
 21 48  1  0
 21 49  1  0
 22 50  1  0
 23 51  1  0
 24 52  1  0
 25 53  1  0
 26 54  1  0
 27 55  1  0
 28 56  1  0
M  END
Download

3D SDF for HMDB0030975 (Corchoionoside B)


  Mrv0541 05061305382D          

 28 29  0  0  0  0            999 V2000
   -0.2822    6.5502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2380    5.9945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7077    6.9130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9592    7.9575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2414    7.1822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9966    5.3127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4256    5.3127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5484   11.8337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2074    9.3647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9966    6.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4895    8.5895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7111    4.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3609   11.6905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8912   12.3224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7036   12.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9858   11.4039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4555   10.7719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4256    6.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7111    6.5502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2662   12.6090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3020    8.4462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7111    4.0752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6090   13.0977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2339   12.8112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7983   11.2607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1808    7.1822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7377    9.9967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6430   10.9152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  4  2  0  0  0  0
 10  1  1  0  0  0  0
 10  6  2  0  0  0  0
 11  4  1  0  0  0  0
 11  9  1  0  0  0  0
 12  6  1  0  0  0  0
 12  7  1  0  0  0  0
 13  8  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18  2  1  0  0  0  0
 18  3  1  0  0  0  0
 18  7  1  0  0  0  0
 19  5  1  0  0  0  0
 19 10  1  0  0  0  0
 19 18  1  0  0  0  0
 20  8  1  0  0  0  0
 21 11  2  0  0  0  0
 22 12  2  0  0  0  0
 23 14  1  0  0  0  0
 24 15  1  0  0  0  0
 25 16  1  0  0  0  0
 26 19  1  0  0  0  0
 27  9  1  0  0  0  0
 27 17  1  0  0  0  0
 28 13  1  0  0  0  0
 28 17  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0030975

> <DATABASE_NAME>
hmdb

> <SMILES>
CC1=CC(=O)CC(C)(C)C1(O)\C=C\C(=O)COC1OC(CO)C(O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C19H28O9/c1-10-6-12(22)7-18(2,3)19(10,26)5-4-11(21)9-27-17-16(25)15(24)14(23)13(8-20)28-17/h4-6,13-17,20,23-26H,7-9H2,1-3H3/b5-4+

> <INCHI_KEY>
FUXBESIRIBMOMU-SNAWJCMRSA-N

> <FORMULA>
C19H28O9

> <MOLECULAR_WEIGHT>
400.4202

> <EXACT_MASS>
400.173332494

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_AVERAGE_POLARIZABILITY>
40.13315985451633

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
4-hydroxy-3,5,5-trimethyl-4-[(1E)-3-oxo-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-1-en-1-yl]cyclohex-2-en-1-one

> <ALOGPS_LOGP>
-0.07

> <JCHEM_LOGP>
-0.9357596206666658

> <ALOGPS_LOGS>
-1.99

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.00469307820839

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.181248668182363

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9810835675548137

> <JCHEM_POLAR_SURFACE_AREA>
153.74999999999997

> <JCHEM_REFRACTIVITY>
98.04239999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.06e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4-hydroxy-3,5,5-trimethyl-4-[(1E)-3-oxo-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-1-en-1-yl]cyclohex-2-en-1-one

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0030975 (Corchoionoside B)

HMDB0030975
     RDKit          3D
Corchoionoside B
 56 57  0  0  0  0  0  0  0  0999 V2000
    3.2403   -2.5675   -0.6727 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0775   -1.3488   -0.4912 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3613   -1.4545   -0.1946 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1182   -0.2213   -0.0315 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3292   -0.1836   -0.3800 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4420    0.9569    0.5410 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9512    0.8387    0.5415 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4513    0.1712    1.8289 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3563    2.2278    0.5167 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5229    0.0204   -0.6338 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0535    0.6337   -1.7887 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0517   -0.0100   -0.8172 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5796   -0.1894   -2.0267 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1551   -0.2260   -2.2530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3029   -0.4006   -3.4297 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7673   -0.0609   -1.1190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0799   -0.1304   -1.5734 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9269    0.0239   -0.5124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7546   -1.0770   -0.2962 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2767   -0.9419    0.9884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9125   -2.2242    1.4744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4201   -2.0482    2.7569 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2004    0.2312    1.0253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5167   -0.1583    1.2592 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1788    0.9617   -0.3133 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8805    2.1553   -0.2425 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7542    1.2779   -0.7254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2544    2.3324    0.0088 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2448   -2.4467   -0.1912 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7474   -3.3898   -0.1328 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1284   -2.7493   -1.7515 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8410   -2.4288   -0.0763 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8655    1.1271    1.5630 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7774    1.8500   -0.0609 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6345   -0.9191    1.7730 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9678    0.6319    2.7074 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3784    0.3918    1.9399 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4287    2.2870    1.1273 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0911    2.9101    1.0021 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2002    2.6112   -0.5093 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4005    1.3072   -2.0798 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3728    0.1146    0.0388 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2501   -0.3097   -2.8527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5375   -0.8528   -0.3766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6322    0.9038   -0.5865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3392    0.1614    0.4142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3873   -0.7252    1.6502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1281   -3.0035    1.4823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6917   -2.5519    0.7574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3969   -1.9464    2.7856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9164    0.9887    1.8049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0733    0.6598    1.2207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5927    0.2685   -1.0641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3019    2.9576   -0.3882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7906    1.5722   -1.7920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0055    1.9918    0.9096 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  2  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
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 14 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
 20 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 10  2  1  0
 27 18  1  0
  1 29  1  0
  1 30  1  0
  1 31  1  0
  3 32  1  0
  6 33  1  0
  6 34  1  0
  8 35  1  0
  8 36  1  0
  8 37  1  0
  9 38  1  0
  9 39  1  0
  9 40  1  0
 11 41  1  0
 12 42  1  0
 13 43  1  0
 16 44  1  0
 16 45  1  0
 18 46  1  0
 20 47  1  0
 21 48  1  0
 21 49  1  0
 22 50  1  0
 23 51  1  0
 24 52  1  0
 25 53  1  0
 26 54  1  0
 27 55  1  0
 28 56  1  0
M  END
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PDB for HMDB0030975 (Corchoionoside B)

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      -0.527  12.227   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -6.044  11.190   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -5.054  12.904   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -3.657  14.854   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -4.184  13.407   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.860   9.917   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -4.528   9.917   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -1.024  22.090   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -4.120  17.481   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -1.860  11.457   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -4.647  16.034   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -3.194   9.147   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -2.540  21.822   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -3.530  23.002   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -5.047  22.735   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -5.573  21.287   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -4.584  20.108   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -4.528  11.457   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -3.194  12.227   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      -0.497  23.537   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0      -6.164  15.766   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0      -3.194   7.607   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      -3.003  24.449   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0      -6.037  23.914   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0      -7.090  21.020   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0      -2.204  13.407   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0      -5.110  18.661   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0      -3.067  20.375   0.000  0.00  0.00           O+0
CONECT    1   10                                                            
CONECT    2   18                                                            
CONECT    3   18                                                            
CONECT    4    5   11                                                       
CONECT    5    4   19                                                       
CONECT    6   10   12                                                       
CONECT    7   12   18                                                       
CONECT    8   13   20                                                       
CONECT    9   11   27                                                       
CONECT   10    1    6   19                                                  
CONECT   11    4    9   21                                                  
CONECT   12    6    7   22                                                  
CONECT   13    8   14   28                                                  
CONECT   14   13   15   23                                                  
CONECT   15   14   16   24                                                  
CONECT   16   15   17   25                                                  
CONECT   17   16   27   28                                                  
CONECT   18    2    3    7   19                                             
CONECT   19    5   10   18   26                                             
CONECT   20    8                                                            
CONECT   21   11                                                            
CONECT   22   12                                                            
CONECT   23   14                                                            
CONECT   24   15                                                            
CONECT   25   16                                                            
CONECT   26   19                                                            
CONECT   27    9   17                                                       
CONECT   28   13   17                                                       
MASTER        0    0    0    0    0    0    0    0   28    0   58    0
END
Download

3D PDB for HMDB0030975 (Corchoionoside B)

COMPND    HMDB0030975
HETATM    1  C1  UNL     1       3.240  -2.567  -0.673  1.00  0.00           C  
HETATM    2  C2  UNL     1       4.078  -1.349  -0.491  1.00  0.00           C  
HETATM    3  C3  UNL     1       5.361  -1.454  -0.195  1.00  0.00           C  
HETATM    4  C4  UNL     1       6.118  -0.221  -0.032  1.00  0.00           C  
HETATM    5  O1  UNL     1       7.329  -0.184  -0.380  1.00  0.00           O  
HETATM    6  C5  UNL     1       5.442   0.957   0.541  1.00  0.00           C  
HETATM    7  C6  UNL     1       3.951   0.839   0.542  1.00  0.00           C  
HETATM    8  C7  UNL     1       3.451   0.171   1.829  1.00  0.00           C  
HETATM    9  C8  UNL     1       3.356   2.228   0.517  1.00  0.00           C  
HETATM   10  C9  UNL     1       3.523   0.020  -0.634  1.00  0.00           C  
HETATM   11  O2  UNL     1       4.054   0.634  -1.789  1.00  0.00           O  
HETATM   12  C10 UNL     1       2.052  -0.010  -0.817  1.00  0.00           C  
HETATM   13  C11 UNL     1       1.580  -0.189  -2.027  1.00  0.00           C  
HETATM   14  C12 UNL     1       0.155  -0.226  -2.253  1.00  0.00           C  
HETATM   15  O3  UNL     1      -0.303  -0.401  -3.430  1.00  0.00           O  
HETATM   16  C13 UNL     1      -0.767  -0.061  -1.119  1.00  0.00           C  
HETATM   17  O4  UNL     1      -2.080  -0.130  -1.573  1.00  0.00           O  
HETATM   18  C14 UNL     1      -2.927   0.024  -0.512  1.00  0.00           C  
HETATM   19  O5  UNL     1      -3.755  -1.077  -0.296  1.00  0.00           O  
HETATM   20  C15 UNL     1      -4.277  -0.942   0.988  1.00  0.00           C  
HETATM   21  C16 UNL     1      -4.912  -2.224   1.474  1.00  0.00           C  
HETATM   22  O6  UNL     1      -5.420  -2.048   2.757  1.00  0.00           O  
HETATM   23  C17 UNL     1      -5.200   0.231   1.025  1.00  0.00           C  
HETATM   24  O7  UNL     1      -6.517  -0.158   1.259  1.00  0.00           O  
HETATM   25  C18 UNL     1      -5.179   0.962  -0.313  1.00  0.00           C  
HETATM   26  O8  UNL     1      -5.880   2.155  -0.243  1.00  0.00           O  
HETATM   27  C19 UNL     1      -3.754   1.278  -0.725  1.00  0.00           C  
HETATM   28  O9  UNL     1      -3.254   2.332   0.009  1.00  0.00           O  
HETATM   29  H1  UNL     1       2.245  -2.447  -0.191  1.00  0.00           H  
HETATM   30  H2  UNL     1       3.747  -3.390  -0.133  1.00  0.00           H  
HETATM   31  H3  UNL     1       3.128  -2.749  -1.751  1.00  0.00           H  
HETATM   32  H4  UNL     1       5.841  -2.429  -0.076  1.00  0.00           H  
HETATM   33  H5  UNL     1       5.866   1.127   1.563  1.00  0.00           H  
HETATM   34  H6  UNL     1       5.777   1.850  -0.061  1.00  0.00           H  
HETATM   35  H7  UNL     1       3.635  -0.919   1.773  1.00  0.00           H  
HETATM   36  H8  UNL     1       3.968   0.632   2.707  1.00  0.00           H  
HETATM   37  H9  UNL     1       2.378   0.392   1.940  1.00  0.00           H  
HETATM   38  H10 UNL     1       2.429   2.287   1.127  1.00  0.00           H  
HETATM   39  H11 UNL     1       4.091   2.910   1.002  1.00  0.00           H  
HETATM   40  H12 UNL     1       3.200   2.611  -0.509  1.00  0.00           H  
HETATM   41  H13 UNL     1       3.401   1.307  -2.080  1.00  0.00           H  
HETATM   42  H14 UNL     1       1.373   0.115   0.039  1.00  0.00           H  
HETATM   43  H15 UNL     1       2.250  -0.310  -2.853  1.00  0.00           H  
HETATM   44  H16 UNL     1      -0.537  -0.853  -0.377  1.00  0.00           H  
HETATM   45  H17 UNL     1      -0.632   0.904  -0.586  1.00  0.00           H  
HETATM   46  H18 UNL     1      -2.339   0.161   0.414  1.00  0.00           H  
HETATM   47  H19 UNL     1      -3.387  -0.725   1.650  1.00  0.00           H  
HETATM   48  H20 UNL     1      -4.128  -3.004   1.482  1.00  0.00           H  
HETATM   49  H21 UNL     1      -5.692  -2.552   0.757  1.00  0.00           H  
HETATM   50  H22 UNL     1      -6.397  -1.946   2.786  1.00  0.00           H  
HETATM   51  H23 UNL     1      -4.916   0.989   1.805  1.00  0.00           H  
HETATM   52  H24 UNL     1      -7.073   0.660   1.221  1.00  0.00           H  
HETATM   53  H25 UNL     1      -5.593   0.268  -1.064  1.00  0.00           H  
HETATM   54  H26 UNL     1      -5.302   2.958  -0.388  1.00  0.00           H  
HETATM   55  H27 UNL     1      -3.791   1.572  -1.792  1.00  0.00           H  
HETATM   56  H28 UNL     1      -3.006   1.992   0.910  1.00  0.00           H  
CONECT    1    2   29   30   31
CONECT    2    3    3   10
CONECT    3    4   32
CONECT    4    5    5    6
CONECT    6    7   33   34
CONECT    7    8    9   10
CONECT    8   35   36   37
CONECT    9   38   39   40
CONECT   10   11   12
CONECT   11   41
CONECT   12   13   13   42
CONECT   13   14   43
CONECT   14   15   15   16
CONECT   16   17   44   45
CONECT   17   18
CONECT   18   19   27   46
CONECT   19   20
CONECT   20   21   23   47
CONECT   21   22   48   49
CONECT   22   50
CONECT   23   24   25   51
CONECT   24   52
CONECT   25   26   27   53
CONECT   26   54
CONECT   27   28   55
CONECT   28   56
END
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SMILES for HMDB0030975 (Corchoionoside B)

CC1=CC(=O)CC(C)(C)C1(O)\C=C\C(=O)COC1OC(CO)C(O)C(O)C1O
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INCHI for HMDB0030975 (Corchoionoside B)

InChI=1S/C19H28O9/c1-10-6-12(22)7-18(2,3)19(10,26)5-4-11(21)9-27-17-16(25)15(24)14(23)13(8-20)28-17/h4-6,13-17,20,23-26H,7-9H2,1-3H3/b5-4+
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View in JSmolView Stereo Labels
Synonyms
ValueSource
Corchoionoside bMeSH
Chemical FormulaC19H28O9
Average Molecular Weight400.4202
Monoisotopic Molecular Weight400.173332494
IUPAC Name4-hydroxy-3,5,5-trimethyl-4-[(1E)-3-oxo-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-1-en-1-yl]cyclohex-2-en-1-one
Traditional Name4-hydroxy-3,5,5-trimethyl-4-[(1E)-3-oxo-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-1-en-1-yl]cyclohex-2-en-1-one
CAS Registry Number189344-54-5
SMILES
CC1=CC(=O)CC(C)(C)C1(O)\C=C\C(=O)COC1OC(CO)C(O)C(O)C1O
InChI Identifier
InChI=1S/C19H28O9/c1-10-6-12(22)7-18(2,3)19(10,26)5-4-11(21)9-27-17-16(25)15(24)14(23)13(8-20)28-17/h4-6,13-17,20,23-26H,7-9H2,1-3H3/b5-4+
InChI KeyFUXBESIRIBMOMU-SNAWJCMRSA-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.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassFatty Acyls
Sub ClassFatty acyl glycosides
Direct ParentFatty acyl glycosides of mono- and disaccharides
Alternative Parents
Substituents
  • Fatty acyl glycoside of mono- or disaccharide
  • Sesquiterpenoid
  • Cyclofarsesane sesquiterpenoid
  • Megastigmane sesquiterpenoid
  • Ionone derivative
  • Alkyl glycoside
  • Hexose monosaccharide
  • Glycosyl compound
  • O-glycosyl compound
  • Cyclohexenone
  • Monosaccharide
  • Oxane
  • Acryloyl-group
  • Enone
  • Alpha,beta-unsaturated ketone
  • Tertiary alcohol
  • Cyclic ketone
  • Ketone
  • Secondary alcohol
  • Organoheterocyclic compound
  • Oxacycle
  • Acetal
  • Polyol
  • Organooxygen compound
  • Alcohol
  • Hydrocarbon derivative
  • Organic oxide
  • Carbonyl group
  • Organic oxygen compound
  • Primary alcohol
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological locationRoute of exposureSource
Process
Naturally occurring process
Role
Biological roleIndustrial application
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water Solubility106100 mg/L @ 25 °C (est)The Good Scents Company Information System
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility4.06 g/LALOGPS
logP-0.07ALOGPS
logP-0.94ChemAxon
logS-2ALOGPS
pKa (Strongest Acidic)12.18ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count9ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area153.75 ŲChemAxon
Rotatable Bond Count6ChemAxon
Refractivity98.04 m³·mol⁻¹ChemAxon
Polarizability40.13 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+195.53730932474
DeepCCS[M-H]-193.17930932474
DeepCCS[M-2H]-226.78230932474
DeepCCS[M+Na]+202.01130932474
AllCCS[M+H]+196.032859911
AllCCS[M+H-H2O]+193.532859911
AllCCS[M+NH4]+198.332859911
AllCCS[M+Na]+199.032859911
AllCCS[M-H]-193.332859911
AllCCS[M+Na-2H]-194.132859911
AllCCS[M+HCOO]-195.132859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Corchoionoside BCC1=CC(=O)CC(C)(C)C1(O)\C=C\C(=O)COC1OC(CO)C(O)C(O)C1O4737.8Standard polar33892256
Corchoionoside BCC1=CC(=O)CC(C)(C)C1(O)\C=C\C(=O)COC1OC(CO)C(O)C(O)C1O3029.0Standard non polar33892256
Corchoionoside BCC1=CC(=O)CC(C)(C)C1(O)\C=C\C(=O)COC1OC(CO)C(O)C(O)C1O3358.9Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Corchoionoside B,1TMS,isomer #1CC1=CC(=O)CC(C)(C)C1(/C=C/C(=O)COC1OC(CO)C(O)C(O)C1O)O[Si](C)(C)C3355.1Semi standard non polar33892256
Corchoionoside B,1TMS,isomer #2CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(=O)COC1OC(CO[Si](C)(C)C)C(O)C(O)C1O3317.4Semi standard non polar33892256
Corchoionoside B,1TMS,isomer #3CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(=O)COC1OC(CO)C(O[Si](C)(C)C)C(O)C1O3314.9Semi standard non polar33892256
Corchoionoside B,1TMS,isomer #4CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(=O)COC1OC(CO)C(O)C(O[Si](C)(C)C)C1O3311.0Semi standard non polar33892256
Corchoionoside B,1TMS,isomer #5CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(=O)COC1OC(CO)C(O)C(O)C1O[Si](C)(C)C3310.7Semi standard non polar33892256
Corchoionoside B,1TMS,isomer #6CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(O)/C=C/C(=O)COC1OC(CO)C(O)C(O)C1O3302.9Semi standard non polar33892256
Corchoionoside B,1TMS,isomer #7CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(=COC1OC(CO)C(O)C(O)C1O)O[Si](C)(C)C3435.1Semi standard non polar33892256
Corchoionoside B,2TMS,isomer #1CC1=CC(=O)CC(C)(C)C1(/C=C/C(=O)COC1OC(CO[Si](C)(C)C)C(O)C(O)C1O)O[Si](C)(C)C3300.9Semi standard non polar33892256
Corchoionoside B,2TMS,isomer #10CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(O)/C=C/C(=O)COC1OC(CO[Si](C)(C)C)C(O)C(O)C1O3228.9Semi standard non polar33892256
Corchoionoside B,2TMS,isomer #11CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(=COC1OC(CO[Si](C)(C)C)C(O)C(O)C1O)O[Si](C)(C)C3368.7Semi standard non polar33892256
Corchoionoside B,2TMS,isomer #12CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(=O)COC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3261.6Semi standard non polar33892256
Corchoionoside B,2TMS,isomer #13CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(=O)COC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3262.4Semi standard non polar33892256
Corchoionoside B,2TMS,isomer #14CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(O)/C=C/C(=O)COC1OC(CO)C(O[Si](C)(C)C)C(O)C1O3231.9Semi standard non polar33892256
Corchoionoside B,2TMS,isomer #15CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(=COC1OC(CO)C(O[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C3384.9Semi standard non polar33892256
Corchoionoside B,2TMS,isomer #16CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(=O)COC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3279.7Semi standard non polar33892256
Corchoionoside B,2TMS,isomer #17CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(O)/C=C/C(=O)COC1OC(CO)C(O)C(O[Si](C)(C)C)C1O3202.0Semi standard non polar33892256
Corchoionoside B,2TMS,isomer #18CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(=COC1OC(CO)C(O)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C3384.4Semi standard non polar33892256
Corchoionoside B,2TMS,isomer #19CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(O)/C=C/C(=O)COC1OC(CO)C(O)C(O)C1O[Si](C)(C)C3229.7Semi standard non polar33892256
Corchoionoside B,2TMS,isomer #2CC1=CC(=O)CC(C)(C)C1(/C=C/C(=O)COC1OC(CO)C(O[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C3312.8Semi standard non polar33892256
Corchoionoside B,2TMS,isomer #20CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(=COC1OC(CO)C(O)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C3393.1Semi standard non polar33892256
Corchoionoside B,2TMS,isomer #21CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(O)/C=C/C(=COC1OC(CO)C(O)C(O)C1O)O[Si](C)(C)C3381.6Semi standard non polar33892256
Corchoionoside B,2TMS,isomer #3CC1=CC(=O)CC(C)(C)C1(/C=C/C(=O)COC1OC(CO)C(O)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C3298.9Semi standard non polar33892256
Corchoionoside B,2TMS,isomer #4CC1=CC(=O)CC(C)(C)C1(/C=C/C(=O)COC1OC(CO)C(O)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C3300.2Semi standard non polar33892256
Corchoionoside B,2TMS,isomer #5CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(/C=C/C(=O)COC1OC(CO)C(O)C(O)C1O)O[Si](C)(C)C3272.3Semi standard non polar33892256
Corchoionoside B,2TMS,isomer #6CC1=CC(=O)CC(C)(C)C1(/C=C/C(=COC1OC(CO)C(O)C(O)C1O)O[Si](C)(C)C)O[Si](C)(C)C3435.4Semi standard non polar33892256
Corchoionoside B,2TMS,isomer #7CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(=O)COC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O3278.9Semi standard non polar33892256
Corchoionoside B,2TMS,isomer #8CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(=O)COC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O3258.8Semi standard non polar33892256
Corchoionoside B,2TMS,isomer #9CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(=O)COC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C3272.5Semi standard non polar33892256
Corchoionoside B,3TMS,isomer #1CC1=CC(=O)CC(C)(C)C1(/C=C/C(=O)COC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C3242.2Semi standard non polar33892256
Corchoionoside B,3TMS,isomer #10CC1=CC(=O)CC(C)(C)C1(/C=C/C(=O)COC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C3247.9Semi standard non polar33892256
Corchoionoside B,3TMS,isomer #11CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(/C=C/C(=O)COC1OC(CO)C(O)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C3158.6Semi standard non polar33892256
Corchoionoside B,3TMS,isomer #12CC1=CC(=O)CC(C)(C)C1(/C=C/C(=COC1OC(CO)C(O)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C)O[Si](C)(C)C3353.2Semi standard non polar33892256
Corchoionoside B,3TMS,isomer #13CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(/C=C/C(=O)COC1OC(CO)C(O)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C3171.5Semi standard non polar33892256
Corchoionoside B,3TMS,isomer #14CC1=CC(=O)CC(C)(C)C1(/C=C/C(=COC1OC(CO)C(O)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C3370.0Semi standard non polar33892256
Corchoionoside B,3TMS,isomer #15CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(/C=C/C(=COC1OC(CO)C(O)C(O)C1O)O[Si](C)(C)C)O[Si](C)(C)C3344.0Semi standard non polar33892256
Corchoionoside B,3TMS,isomer #16CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(=O)COC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3217.1Semi standard non polar33892256
Corchoionoside B,3TMS,isomer #17CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(=O)COC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3251.9Semi standard non polar33892256
Corchoionoside B,3TMS,isomer #18CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(O)/C=C/C(=O)COC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O3146.6Semi standard non polar33892256
Corchoionoside B,3TMS,isomer #19CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(=COC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C3302.8Semi standard non polar33892256
Corchoionoside B,3TMS,isomer #2CC1=CC(=O)CC(C)(C)C1(/C=C/C(=O)COC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C3216.8Semi standard non polar33892256
Corchoionoside B,3TMS,isomer #20CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(=O)COC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3226.0Semi standard non polar33892256
Corchoionoside B,3TMS,isomer #21CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(O)/C=C/C(=O)COC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O3104.5Semi standard non polar33892256
Corchoionoside B,3TMS,isomer #22CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(=COC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C3298.9Semi standard non polar33892256
Corchoionoside B,3TMS,isomer #23CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(O)/C=C/C(=O)COC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C3143.6Semi standard non polar33892256
Corchoionoside B,3TMS,isomer #24CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(=COC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C3316.8Semi standard non polar33892256
Corchoionoside B,3TMS,isomer #25CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(O)/C=C/C(=COC1OC(CO[Si](C)(C)C)C(O)C(O)C1O)O[Si](C)(C)C3268.5Semi standard non polar33892256
Corchoionoside B,3TMS,isomer #26CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(=O)COC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3215.7Semi standard non polar33892256
Corchoionoside B,3TMS,isomer #27CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(O)/C=C/C(=O)COC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3120.2Semi standard non polar33892256
Corchoionoside B,3TMS,isomer #28CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(=COC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C3303.3Semi standard non polar33892256
Corchoionoside B,3TMS,isomer #29CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(O)/C=C/C(=O)COC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3133.8Semi standard non polar33892256
Corchoionoside B,3TMS,isomer #3CC1=CC(=O)CC(C)(C)C1(/C=C/C(=O)COC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C3237.2Semi standard non polar33892256
Corchoionoside B,3TMS,isomer #30CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(=COC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C3317.2Semi standard non polar33892256
Corchoionoside B,3TMS,isomer #31CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(O)/C=C/C(=COC1OC(CO)C(O[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C3275.2Semi standard non polar33892256
Corchoionoside B,3TMS,isomer #32CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(O)/C=C/C(=O)COC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3132.3Semi standard non polar33892256
Corchoionoside B,3TMS,isomer #33CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(=COC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C3328.2Semi standard non polar33892256
Corchoionoside B,3TMS,isomer #34CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(O)/C=C/C(=COC1OC(CO)C(O)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C3260.3Semi standard non polar33892256
Corchoionoside B,3TMS,isomer #35CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(O)/C=C/C(=COC1OC(CO)C(O)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C3287.7Semi standard non polar33892256
Corchoionoside B,3TMS,isomer #4CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(/C=C/C(=O)COC1OC(CO[Si](C)(C)C)C(O)C(O)C1O)O[Si](C)(C)C3148.1Semi standard non polar33892256
Corchoionoside B,3TMS,isomer #5CC1=CC(=O)CC(C)(C)C1(/C=C/C(=COC1OC(CO[Si](C)(C)C)C(O)C(O)C1O)O[Si](C)(C)C)O[Si](C)(C)C3329.7Semi standard non polar33892256
Corchoionoside B,3TMS,isomer #6CC1=CC(=O)CC(C)(C)C1(/C=C/C(=O)COC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C3230.3Semi standard non polar33892256
Corchoionoside B,3TMS,isomer #7CC1=CC(=O)CC(C)(C)C1(/C=C/C(=O)COC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C3233.5Semi standard non polar33892256
Corchoionoside B,3TMS,isomer #8CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(/C=C/C(=O)COC1OC(CO)C(O[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C3185.0Semi standard non polar33892256
Corchoionoside B,3TMS,isomer #9CC1=CC(=O)CC(C)(C)C1(/C=C/C(=COC1OC(CO)C(O[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C)O[Si](C)(C)C3359.1Semi standard non polar33892256
Corchoionoside B,4TMS,isomer #1CC1=CC(=O)CC(C)(C)C1(/C=C/C(=O)COC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C3197.8Semi standard non polar33892256
Corchoionoside B,4TMS,isomer #10CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(/C=C/C(=COC1OC(CO[Si](C)(C)C)C(O)C(O)C1O)O[Si](C)(C)C)O[Si](C)(C)C3241.2Semi standard non polar33892256
Corchoionoside B,4TMS,isomer #11CC1=CC(=O)CC(C)(C)C1(/C=C/C(=O)COC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C3184.4Semi standard non polar33892256
Corchoionoside B,4TMS,isomer #12CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(/C=C/C(=O)COC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C3099.8Semi standard non polar33892256
Corchoionoside B,4TMS,isomer #13CC1=CC(=O)CC(C)(C)C1(/C=C/C(=COC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C)O[Si](C)(C)C3317.7Semi standard non polar33892256
Corchoionoside B,4TMS,isomer #14CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(/C=C/C(=O)COC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C3119.1Semi standard non polar33892256
Corchoionoside B,4TMS,isomer #15CC1=CC(=O)CC(C)(C)C1(/C=C/C(=COC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C3339.2Semi standard non polar33892256
Corchoionoside B,4TMS,isomer #16CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(/C=C/C(=COC1OC(CO)C(O[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C)O[Si](C)(C)C3269.8Semi standard non polar33892256
Corchoionoside B,4TMS,isomer #17CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(/C=C/C(=O)COC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C3110.2Semi standard non polar33892256
Corchoionoside B,4TMS,isomer #18CC1=CC(=O)CC(C)(C)C1(/C=C/C(=COC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C3339.8Semi standard non polar33892256
Corchoionoside B,4TMS,isomer #19CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(/C=C/C(=COC1OC(CO)C(O)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C)O[Si](C)(C)C3249.8Semi standard non polar33892256
Corchoionoside B,4TMS,isomer #2CC1=CC(=O)CC(C)(C)C1(/C=C/C(=O)COC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C3245.0Semi standard non polar33892256
Corchoionoside B,4TMS,isomer #20CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(/C=C/C(=COC1OC(CO)C(O)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C3274.8Semi standard non polar33892256
Corchoionoside B,4TMS,isomer #21CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(=O)COC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3233.5Semi standard non polar33892256
Corchoionoside B,4TMS,isomer #22CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(O)/C=C/C(=O)COC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3092.2Semi standard non polar33892256
Corchoionoside B,4TMS,isomer #23CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(=COC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C3284.4Semi standard non polar33892256
Corchoionoside B,4TMS,isomer #24CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(O)/C=C/C(=O)COC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3140.9Semi standard non polar33892256
Corchoionoside B,4TMS,isomer #25CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(=COC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C3317.2Semi standard non polar33892256
Corchoionoside B,4TMS,isomer #26CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(O)/C=C/C(=COC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C3221.2Semi standard non polar33892256
Corchoionoside B,4TMS,isomer #27CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(O)/C=C/C(=O)COC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3102.0Semi standard non polar33892256
Corchoionoside B,4TMS,isomer #28CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(=COC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C3305.8Semi standard non polar33892256
Corchoionoside B,4TMS,isomer #29CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(O)/C=C/C(=COC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C3201.4Semi standard non polar33892256
Corchoionoside B,4TMS,isomer #3CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(/C=C/C(=O)COC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C3123.3Semi standard non polar33892256
Corchoionoside B,4TMS,isomer #30CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(O)/C=C/C(=COC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C3236.3Semi standard non polar33892256
Corchoionoside B,4TMS,isomer #31CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(O)/C=C/C(=O)COC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3083.8Semi standard non polar33892256
Corchoionoside B,4TMS,isomer #32CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(=COC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C3308.3Semi standard non polar33892256
Corchoionoside B,4TMS,isomer #33CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(O)/C=C/C(=COC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C3209.2Semi standard non polar33892256
Corchoionoside B,4TMS,isomer #34CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(O)/C=C/C(=COC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C3244.3Semi standard non polar33892256
Corchoionoside B,4TMS,isomer #35CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(O)/C=C/C(=COC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C3236.0Semi standard non polar33892256
Corchoionoside B,4TMS,isomer #4CC1=CC(=O)CC(C)(C)C1(/C=C/C(=COC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C)O[Si](C)(C)C3311.9Semi standard non polar33892256
Corchoionoside B,4TMS,isomer #5CC1=CC(=O)CC(C)(C)C1(/C=C/C(=O)COC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C3206.8Semi standard non polar33892256
Corchoionoside B,4TMS,isomer #6CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(/C=C/C(=O)COC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C3080.0Semi standard non polar33892256
Corchoionoside B,4TMS,isomer #7CC1=CC(=O)CC(C)(C)C1(/C=C/C(=COC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C)O[Si](C)(C)C3298.1Semi standard non polar33892256
Corchoionoside B,4TMS,isomer #8CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(/C=C/C(=O)COC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C3117.6Semi standard non polar33892256
Corchoionoside B,4TMS,isomer #9CC1=CC(=O)CC(C)(C)C1(/C=C/C(=COC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C3317.9Semi standard non polar33892256
Corchoionoside B,5TMS,isomer #1CC1=CC(=O)CC(C)(C)C1(/C=C/C(=O)COC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C3221.8Semi standard non polar33892256
Corchoionoside B,5TMS,isomer #10CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(/C=C/C(=COC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C3221.2Semi standard non polar33892256
Corchoionoside B,5TMS,isomer #11CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(/C=C/C(=O)COC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C3058.5Semi standard non polar33892256
Corchoionoside B,5TMS,isomer #12CC1=CC(=O)CC(C)(C)C1(/C=C/C(=COC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C3296.8Semi standard non polar33892256
Corchoionoside B,5TMS,isomer #13CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(/C=C/C(=COC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C)O[Si](C)(C)C3202.6Semi standard non polar33892256
Corchoionoside B,5TMS,isomer #14CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(/C=C/C(=COC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C3240.4Semi standard non polar33892256
Corchoionoside B,5TMS,isomer #15CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(/C=C/C(=COC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C3224.3Semi standard non polar33892256
Corchoionoside B,5TMS,isomer #16CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(O)/C=C/C(=O)COC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3123.9Semi standard non polar33892256
Corchoionoside B,5TMS,isomer #17CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(=COC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C3311.0Semi standard non polar33892256
Corchoionoside B,5TMS,isomer #18CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(O)/C=C/C(=COC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C3187.1Semi standard non polar33892256
Corchoionoside B,5TMS,isomer #19CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(O)/C=C/C(=COC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C3232.8Semi standard non polar33892256
Corchoionoside B,5TMS,isomer #2CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(/C=C/C(=O)COC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C3081.8Semi standard non polar33892256
Corchoionoside B,5TMS,isomer #20CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(O)/C=C/C(=COC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C3213.0Semi standard non polar33892256
Corchoionoside B,5TMS,isomer #21CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(O)/C=C/C(=COC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C3209.1Semi standard non polar33892256
Corchoionoside B,5TMS,isomer #3CC1=CC(=O)CC(C)(C)C1(/C=C/C(=COC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C)O[Si](C)(C)C3282.0Semi standard non polar33892256
Corchoionoside B,5TMS,isomer #4CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(/C=C/C(=O)COC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C3130.0Semi standard non polar33892256
Corchoionoside B,5TMS,isomer #5CC1=CC(=O)CC(C)(C)C1(/C=C/C(=COC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C3326.9Semi standard non polar33892256
Corchoionoside B,5TMS,isomer #6CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(/C=C/C(=COC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C)O[Si](C)(C)C3210.4Semi standard non polar33892256
Corchoionoside B,5TMS,isomer #7CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(/C=C/C(=O)COC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C3083.9Semi standard non polar33892256
Corchoionoside B,5TMS,isomer #8CC1=CC(=O)CC(C)(C)C1(/C=C/C(=COC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C3306.8Semi standard non polar33892256
Corchoionoside B,5TMS,isomer #9CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(/C=C/C(=COC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C)O[Si](C)(C)C3187.6Semi standard non polar33892256
Corchoionoside B,6TMS,isomer #1CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(/C=C/C(=O)COC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C3107.7Semi standard non polar33892256
Corchoionoside B,6TMS,isomer #1CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(/C=C/C(=O)COC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C3233.5Standard non polar33892256
Corchoionoside B,6TMS,isomer #2CC1=CC(=O)CC(C)(C)C1(/C=C/C(=COC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C3269.6Semi standard non polar33892256
Corchoionoside B,6TMS,isomer #2CC1=CC(=O)CC(C)(C)C1(/C=C/C(=COC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C3204.6Standard non polar33892256
Corchoionoside B,6TMS,isomer #3CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(/C=C/C(=COC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C)O[Si](C)(C)C3170.6Semi standard non polar33892256
Corchoionoside B,6TMS,isomer #3CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(/C=C/C(=COC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C)O[Si](C)(C)C3216.8Standard non polar33892256
Corchoionoside B,6TMS,isomer #4CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(/C=C/C(=COC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C3212.6Semi standard non polar33892256
Corchoionoside B,6TMS,isomer #4CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(/C=C/C(=COC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C3252.2Standard non polar33892256
Corchoionoside B,6TMS,isomer #5CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(/C=C/C(=COC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C3195.5Semi standard non polar33892256
Corchoionoside B,6TMS,isomer #5CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(/C=C/C(=COC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C3226.8Standard non polar33892256
Corchoionoside B,6TMS,isomer #6CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(/C=C/C(=COC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C3182.5Semi standard non polar33892256
Corchoionoside B,6TMS,isomer #6CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(/C=C/C(=COC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C3190.6Standard non polar33892256
Corchoionoside B,6TMS,isomer #7CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(O)/C=C/C(=COC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C3204.0Semi standard non polar33892256
Corchoionoside B,6TMS,isomer #7CC1=CC(O[Si](C)(C)C)=CC(C)(C)C1(O)/C=C/C(=COC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C3228.5Standard non polar33892256
Corchoionoside B,1TBDMS,isomer #1CC1=CC(=O)CC(C)(C)C1(/C=C/C(=O)COC1OC(CO)C(O)C(O)C1O)O[Si](C)(C)C(C)(C)C3589.7Semi standard non polar33892256
Corchoionoside B,1TBDMS,isomer #2CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(=O)COC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O3552.0Semi standard non polar33892256
Corchoionoside B,1TBDMS,isomer #3CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(=O)COC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O3567.8Semi standard non polar33892256
Corchoionoside B,1TBDMS,isomer #4CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(=O)COC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O3559.8Semi standard non polar33892256
Corchoionoside B,1TBDMS,isomer #5CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(=O)COC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C3554.2Semi standard non polar33892256
Corchoionoside B,1TBDMS,isomer #6CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1(O)/C=C/C(=O)COC1OC(CO)C(O)C(O)C1O3523.9Semi standard non polar33892256
Corchoionoside B,1TBDMS,isomer #7CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(=COC1OC(CO)C(O)C(O)C1O)O[Si](C)(C)C(C)(C)C3665.5Semi standard non polar33892256
Corchoionoside B,2TBDMS,isomer #1CC1=CC(=O)CC(C)(C)C1(/C=C/C(=O)COC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O)O[Si](C)(C)C(C)(C)C3761.7Semi standard non polar33892256
Corchoionoside B,2TBDMS,isomer #10CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1(O)/C=C/C(=O)COC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O3671.5Semi standard non polar33892256
Corchoionoside B,2TBDMS,isomer #11CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(=COC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O)O[Si](C)(C)C(C)(C)C3826.5Semi standard non polar33892256
Corchoionoside B,2TBDMS,isomer #12CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(=O)COC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O3721.1Semi standard non polar33892256
Corchoionoside B,2TBDMS,isomer #13CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(=O)COC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C3721.6Semi standard non polar33892256
Corchoionoside B,2TBDMS,isomer #14CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1(O)/C=C/C(=O)COC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O3676.7Semi standard non polar33892256
Corchoionoside B,2TBDMS,isomer #15CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(=COC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)O[Si](C)(C)C(C)(C)C3848.0Semi standard non polar33892256
Corchoionoside B,2TBDMS,isomer #16CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(=O)COC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3735.7Semi standard non polar33892256
Corchoionoside B,2TBDMS,isomer #17CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1(O)/C=C/C(=O)COC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O3650.6Semi standard non polar33892256
Corchoionoside B,2TBDMS,isomer #18CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(=COC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)O[Si](C)(C)C(C)(C)C3846.0Semi standard non polar33892256
Corchoionoside B,2TBDMS,isomer #19CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1(O)/C=C/C(=O)COC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C3662.8Semi standard non polar33892256
Corchoionoside B,2TBDMS,isomer #2CC1=CC(=O)CC(C)(C)C1(/C=C/C(=O)COC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)O[Si](C)(C)C(C)(C)C3778.4Semi standard non polar33892256
Corchoionoside B,2TBDMS,isomer #20CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(=COC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3851.5Semi standard non polar33892256
Corchoionoside B,2TBDMS,isomer #21CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1(O)/C=C/C(=COC1OC(CO)C(O)C(O)C1O)O[Si](C)(C)C(C)(C)C3808.9Semi standard non polar33892256
Corchoionoside B,2TBDMS,isomer #3CC1=CC(=O)CC(C)(C)C1(/C=C/C(=O)COC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)O[Si](C)(C)C(C)(C)C3757.0Semi standard non polar33892256
Corchoionoside B,2TBDMS,isomer #4CC1=CC(=O)CC(C)(C)C1(/C=C/C(=O)COC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3753.8Semi standard non polar33892256
Corchoionoside B,2TBDMS,isomer #5CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1(/C=C/C(=O)COC1OC(CO)C(O)C(O)C1O)O[Si](C)(C)C(C)(C)C3749.9Semi standard non polar33892256
Corchoionoside B,2TBDMS,isomer #6CC1=CC(=O)CC(C)(C)C1(/C=C/C(=COC1OC(CO)C(O)C(O)C1O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3886.4Semi standard non polar33892256
Corchoionoside B,2TBDMS,isomer #7CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(=O)COC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O3746.4Semi standard non polar33892256
Corchoionoside B,2TBDMS,isomer #8CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(=O)COC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O3738.1Semi standard non polar33892256
Corchoionoside B,2TBDMS,isomer #9CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(=O)COC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C3742.2Semi standard non polar33892256
Corchoionoside B,3TBDMS,isomer #1CC1=CC(=O)CC(C)(C)C1(/C=C/C(=O)COC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)O[Si](C)(C)C(C)(C)C3934.4Semi standard non polar33892256
Corchoionoside B,3TBDMS,isomer #10CC1=CC(=O)CC(C)(C)C1(/C=C/C(=O)COC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3938.3Semi standard non polar33892256
Corchoionoside B,3TBDMS,isomer #11CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1(/C=C/C(=O)COC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)O[Si](C)(C)C(C)(C)C3863.3Semi standard non polar33892256
Corchoionoside B,3TBDMS,isomer #12CC1=CC(=O)CC(C)(C)C1(/C=C/C(=COC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4063.4Semi standard non polar33892256
Corchoionoside B,3TBDMS,isomer #13CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1(/C=C/C(=O)COC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3873.7Semi standard non polar33892256
Corchoionoside B,3TBDMS,isomer #14CC1=CC(=O)CC(C)(C)C1(/C=C/C(=COC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4068.1Semi standard non polar33892256
Corchoionoside B,3TBDMS,isomer #15CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1(/C=C/C(=COC1OC(CO)C(O)C(O)C1O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4017.0Semi standard non polar33892256
Corchoionoside B,3TBDMS,isomer #16CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(=O)COC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O3914.2Semi standard non polar33892256
Corchoionoside B,3TBDMS,isomer #17CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(=O)COC1OC(CO[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)C3943.2Semi standard non polar33892256
Corchoionoside B,3TBDMS,isomer #18CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1(O)/C=C/C(=O)COC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O3802.0Semi standard non polar33892256
Corchoionoside B,3TBDMS,isomer #19CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(=COC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)O[Si](C)(C)C(C)(C)C3986.1Semi standard non polar33892256
Corchoionoside B,3TBDMS,isomer #2CC1=CC(=O)CC(C)(C)C1(/C=C/C(=O)COC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)O[Si](C)(C)C(C)(C)C3921.2Semi standard non polar33892256
Corchoionoside B,3TBDMS,isomer #20CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(=O)COC1OC(CO[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)C3926.5Semi standard non polar33892256
Corchoionoside B,3TBDMS,isomer #21CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1(O)/C=C/C(=O)COC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O3782.1Semi standard non polar33892256
Corchoionoside B,3TBDMS,isomer #22CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(=COC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)O[Si](C)(C)C(C)(C)C4001.7Semi standard non polar33892256
Corchoionoside B,3TBDMS,isomer #23CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1(O)/C=C/C(=O)COC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C3795.5Semi standard non polar33892256
Corchoionoside B,3TBDMS,isomer #24CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(=COC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4000.9Semi standard non polar33892256
Corchoionoside B,3TBDMS,isomer #25CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1(O)/C=C/C(=COC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O)O[Si](C)(C)C(C)(C)C3900.9Semi standard non polar33892256
Corchoionoside B,3TBDMS,isomer #26CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(=O)COC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3899.2Semi standard non polar33892256
Corchoionoside B,3TBDMS,isomer #27CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1(O)/C=C/C(=O)COC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O3781.6Semi standard non polar33892256
Corchoionoside B,3TBDMS,isomer #28CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(=COC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)O[Si](C)(C)C(C)(C)C4004.7Semi standard non polar33892256
Corchoionoside B,3TBDMS,isomer #29CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1(O)/C=C/C(=O)COC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C3786.1Semi standard non polar33892256
Corchoionoside B,3TBDMS,isomer #3CC1=CC(=O)CC(C)(C)C1(/C=C/C(=O)COC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3924.3Semi standard non polar33892256
Corchoionoside B,3TBDMS,isomer #30CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(=COC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4008.9Semi standard non polar33892256
Corchoionoside B,3TBDMS,isomer #31CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1(O)/C=C/C(=COC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)O[Si](C)(C)C(C)(C)C3916.1Semi standard non polar33892256
Corchoionoside B,3TBDMS,isomer #32CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1(O)/C=C/C(=O)COC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3796.1Semi standard non polar33892256
Corchoionoside B,3TBDMS,isomer #33CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(=COC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4018.4Semi standard non polar33892256
Corchoionoside B,3TBDMS,isomer #34CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1(O)/C=C/C(=COC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)O[Si](C)(C)C(C)(C)C3914.7Semi standard non polar33892256
Corchoionoside B,3TBDMS,isomer #35CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1(O)/C=C/C(=COC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3925.8Semi standard non polar33892256
Corchoionoside B,3TBDMS,isomer #4CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1(/C=C/C(=O)COC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O)O[Si](C)(C)C(C)(C)C3847.3Semi standard non polar33892256
Corchoionoside B,3TBDMS,isomer #5CC1=CC(=O)CC(C)(C)C1(/C=C/C(=COC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4024.3Semi standard non polar33892256
Corchoionoside B,3TBDMS,isomer #6CC1=CC(=O)CC(C)(C)C1(/C=C/C(=O)COC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)O[Si](C)(C)C(C)(C)C3923.3Semi standard non polar33892256
Corchoionoside B,3TBDMS,isomer #7CC1=CC(=O)CC(C)(C)C1(/C=C/C(=O)COC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3922.3Semi standard non polar33892256
Corchoionoside B,3TBDMS,isomer #8CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1(/C=C/C(=O)COC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)O[Si](C)(C)C(C)(C)C3878.6Semi standard non polar33892256
Corchoionoside B,3TBDMS,isomer #9CC1=CC(=O)CC(C)(C)C1(/C=C/C(=COC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4061.7Semi standard non polar33892256
Corchoionoside B,4TBDMS,isomer #1CC1=CC(=O)CC(C)(C)C1(/C=C/C(=O)COC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)O[Si](C)(C)C(C)(C)C4106.0Semi standard non polar33892256
Corchoionoside B,4TBDMS,isomer #10CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1(/C=C/C(=COC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4073.5Semi standard non polar33892256
Corchoionoside B,4TBDMS,isomer #11CC1=CC(=O)CC(C)(C)C1(/C=C/C(=O)COC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4096.3Semi standard non polar33892256
Corchoionoside B,4TBDMS,isomer #12CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1(/C=C/C(=O)COC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)O[Si](C)(C)C(C)(C)C3977.2Semi standard non polar33892256
Corchoionoside B,4TBDMS,isomer #13CC1=CC(=O)CC(C)(C)C1(/C=C/C(=COC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4198.0Semi standard non polar33892256
Corchoionoside B,4TBDMS,isomer #14CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1(/C=C/C(=O)COC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3982.5Semi standard non polar33892256
Corchoionoside B,4TBDMS,isomer #15CC1=CC(=O)CC(C)(C)C1(/C=C/C(=COC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4205.7Semi standard non polar33892256
Corchoionoside B,4TBDMS,isomer #16CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1(/C=C/C(=COC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4118.1Semi standard non polar33892256
Corchoionoside B,4TBDMS,isomer #17CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1(/C=C/C(=O)COC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3988.1Semi standard non polar33892256
Corchoionoside B,4TBDMS,isomer #18CC1=CC(=O)CC(C)(C)C1(/C=C/C(=COC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4212.2Semi standard non polar33892256
Corchoionoside B,4TBDMS,isomer #19CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1(/C=C/C(=COC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4111.6Semi standard non polar33892256
Corchoionoside B,4TBDMS,isomer #2CC1=CC(=O)CC(C)(C)C1(/C=C/C(=O)COC1OC(CO[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)O[Si](C)(C)C(C)(C)C4137.9Semi standard non polar33892256
Corchoionoside B,4TBDMS,isomer #20CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1(/C=C/C(=COC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4122.8Semi standard non polar33892256
Corchoionoside B,4TBDMS,isomer #21CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(=O)COC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4095.1Semi standard non polar33892256
Corchoionoside B,4TBDMS,isomer #22CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1(O)/C=C/C(=O)COC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O3930.7Semi standard non polar33892256
Corchoionoside B,4TBDMS,isomer #23CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(=COC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)O[Si](C)(C)C(C)(C)C4154.4Semi standard non polar33892256
Corchoionoside B,4TBDMS,isomer #24CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1(O)/C=C/C(=O)COC1OC(CO[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)C3961.6Semi standard non polar33892256
Corchoionoside B,4TBDMS,isomer #25CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(=COC1OC(CO[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)O[Si](C)(C)C(C)(C)C4185.8Semi standard non polar33892256
Corchoionoside B,4TBDMS,isomer #26CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1(O)/C=C/C(=COC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)O[Si](C)(C)C(C)(C)C4022.4Semi standard non polar33892256
Corchoionoside B,4TBDMS,isomer #27CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1(O)/C=C/C(=O)COC1OC(CO[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)C3936.7Semi standard non polar33892256
Corchoionoside B,4TBDMS,isomer #28CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(=COC1OC(CO[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)O[Si](C)(C)C(C)(C)C4167.6Semi standard non polar33892256
Corchoionoside B,4TBDMS,isomer #29CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1(O)/C=C/C(=COC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)O[Si](C)(C)C(C)(C)C4025.9Semi standard non polar33892256
Corchoionoside B,4TBDMS,isomer #3CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1(/C=C/C(=O)COC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)O[Si](C)(C)C(C)(C)C3989.0Semi standard non polar33892256
Corchoionoside B,4TBDMS,isomer #30CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1(O)/C=C/C(=COC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4029.7Semi standard non polar33892256
Corchoionoside B,4TBDMS,isomer #31CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1(O)/C=C/C(=O)COC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3915.5Semi standard non polar33892256
Corchoionoside B,4TBDMS,isomer #32CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(=COC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4157.3Semi standard non polar33892256
Corchoionoside B,4TBDMS,isomer #33CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1(O)/C=C/C(=COC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)O[Si](C)(C)C(C)(C)C4024.0Semi standard non polar33892256
Corchoionoside B,4TBDMS,isomer #34CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1(O)/C=C/C(=COC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4040.4Semi standard non polar33892256
Corchoionoside B,4TBDMS,isomer #35CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1(O)/C=C/C(=COC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4044.1Semi standard non polar33892256
Corchoionoside B,4TBDMS,isomer #4CC1=CC(=O)CC(C)(C)C1(/C=C/C(=COC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4181.8Semi standard non polar33892256
Corchoionoside B,4TBDMS,isomer #5CC1=CC(=O)CC(C)(C)C1(/C=C/C(=O)COC1OC(CO[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)O[Si](C)(C)C(C)(C)C4115.5Semi standard non polar33892256
Corchoionoside B,4TBDMS,isomer #6CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1(/C=C/C(=O)COC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)O[Si](C)(C)C(C)(C)C3966.5Semi standard non polar33892256
Corchoionoside B,4TBDMS,isomer #7CC1=CC(=O)CC(C)(C)C1(/C=C/C(=COC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4189.6Semi standard non polar33892256
Corchoionoside B,4TBDMS,isomer #8CC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C)(C)C1(/C=C/C(=O)COC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3979.0Semi standard non polar33892256
Corchoionoside B,4TBDMS,isomer #9CC1=CC(=O)CC(C)(C)C1(/C=C/C(=COC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4191.4Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Corchoionoside B GC-MS (Non-derivatized) - 70eV, Positivesplash10-05ar-7719000000-a05686b41d4a8825e6ac2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Corchoionoside B GC-MS (4 TMS) - 70eV, Positivesplash10-00di-3152029000-03822b9bbc72aac8bc792017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Corchoionoside B GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Corchoionoside B 10V, Positive-QTOFsplash10-0f89-1369300000-56a5f30ef68e349040852016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Corchoionoside B 20V, Positive-QTOFsplash10-0fl9-2492000000-68ec483213f284d35f852016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Corchoionoside B 40V, Positive-QTOFsplash10-0abc-9421000000-54c16f10d3a7f1f5f02e2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Corchoionoside B 10V, Negative-QTOFsplash10-002b-4947000000-802ffb8ffbeee810de4b2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Corchoionoside B 20V, Negative-QTOFsplash10-03fr-3931000000-8e394ca824193f7212a52016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Corchoionoside B 40V, Negative-QTOFsplash10-059f-9410000000-ac6417af78eb9cc820642016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Corchoionoside B 10V, Negative-QTOFsplash10-0002-0219000000-3748d291214213b46e922021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Corchoionoside B 20V, Negative-QTOFsplash10-0ap1-9538000000-09b73240857d86ae694f2021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Corchoionoside B 40V, Negative-QTOFsplash10-0a4l-9231000000-3ff2dae965c5c4cd72402021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Corchoionoside B 10V, Positive-QTOFsplash10-0f89-0219100000-a9891ee248e7b151d1ee2021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Corchoionoside B 20V, Positive-QTOFsplash10-014l-2219000000-e18751bce71b16e3e0bd2021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Corchoionoside B 40V, Positive-QTOFsplash10-004i-9477000000-a00f55e205cc2f4881e22021-09-25Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
  • Membrane
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB002963
KNApSAcK IDC00055536
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound131751110
PDB IDNot Available
ChEBI ID168749
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1824011
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Simons K, Toomre D: Lipid rafts and signal transduction. Nat Rev Mol Cell Biol. 2000 Oct;1(1):31-9. [PubMed:11413487 ]
  2. 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 ]
  3. 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 ]
  4. 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 ]
  5. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
  6. Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.