Hmdb loader

Showing metabocard for Ganosporeric acid A (HMDB0033022)

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IdentificationTaxonomyOntologyPhysical propertiesSpectraBiological propertiesConcentrationsLinksReferencesXML
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:53:18 UTC
Update Date2022-03-07 02:53:33 UTC
HMDB IDHMDB0033022
Secondary Accession Numbers
  • HMDB33022
Metabolite Identification
Common NameGanosporeric acid A
DescriptionGanosporeric acid A, also known as ganosporerate a, belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Based on a literature review very few articles have been published on Ganosporeric acid A.
Structure
Data?1563862340
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0033022 (Ganosporeric acid A)


  Mrv0541 05061306522D          

 38 41  0  0  0  0            999 V2000
    1.1875    3.7235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0454    3.7235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1684   -1.2571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9479   -2.2946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4289   -0.5168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1714    1.9205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2407    1.4078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0810   -2.0860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1740   -1.3014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9019    2.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3309    2.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2807    2.8216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7371   -0.2467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875    2.8985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0454    2.8985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6164    2.8985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4730    2.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4821    0.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.8879   -2.2575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8327    2.2085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6751    0.7094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6839    0.2678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7598    2.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4202    1.4940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6164    3.7235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.6532    2.2947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7458    1.2240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4743    2.8985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7598    1.6610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  9  8  1  0  0  0  0
 14  1  1  0  0  0  0
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 28  5  1  0  0  0  0
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 35 24  2  0  0  0  0
 36 25  2  0  0  0  0
 37 26  2  0  0  0  0
 38 26  1  0  0  0  0
M  END
Download

3D MOL for HMDB0033022 (Ganosporeric acid A)

HMDB0033022
     RDKit          3D
Ganosporeric acid A
 76 79  0  0  0  0  0  0  0  0999 V2000
    5.0619    1.8028    1.9183 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2273    1.2729    1.1307 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9084   -0.0524    0.4884 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7581    0.0506   -0.4488 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2487    1.1756   -0.5596 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2821   -1.1413   -1.1847 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9842   -0.8509   -1.9645 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2199    0.2638   -2.8945 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8620   -0.9309   -1.0649 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7612   -0.0371    0.1172 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5319   -0.6389    0.7656 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2701   -0.5361    1.9321 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4113    0.5643   -3.3170 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4603   -1.0185   -1.5719 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0725   -1.5130   -1.8375 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2363   -1.8080   -3.6156 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.6924   -1.1030    0.4283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3061   -0.1653    1.8181 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9230    0.8360    0.4744 H   0  0  0  0  0  0  0  0  0  0  0  0
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  2 36  1  0
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 31 72  1  0
 32 73  1  0
 33 74  1  0
 33 75  1  0
 38 76  1  0
M  END
Download

3D SDF for HMDB0033022 (Ganosporeric acid A)


  Mrv0541 05061306522D          

 38 41  0  0  0  0            999 V2000
    1.1875    3.7235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0454    3.7235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1684   -1.2571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9479   -2.2946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4289   -0.5168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1714    1.9205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2407    1.4078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0810   -2.0860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1740   -1.3014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9019    2.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3309    2.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2807    2.8216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7371   -0.2467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875    2.8985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0454    2.8985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6164    2.8985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4730    2.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4821    0.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1850   -0.8598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8879   -2.2575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8327    2.2085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6751    0.7094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1231    0.0963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6839    0.2678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9388    1.0525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7598    2.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4400   -1.6445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3780   -0.6883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3868    1.6656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4202    1.4940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6164    3.7235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0341    1.1510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1429   -3.0422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6532    2.2947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2359   -0.3453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7598    1.6610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  9  8  1  0  0  0  0
 14  1  1  0  0  0  0
 14 10  1  0  0  0  0
 15  2  1  0  0  0  0
 15 11  1  0  0  0  0
 16 10  1  0  0  0  0
 16 11  1  0  0  0  0
 17 12  1  0  0  0  0
 17 14  1  0  0  0  0
 18 13  1  0  0  0  0
 19 13  1  0  0  0  0
 20  8  1  0  0  0  0
 21 12  1  0  0  0  0
 22 18  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 15  1  0  0  0  0
 27  3  1  0  0  0  0
 27  4  1  0  0  0  0
 27 19  1  0  0  0  0
 27 20  1  0  0  0  0
 28  5  1  0  0  0  0
 28  9  1  0  0  0  0
 28 19  1  0  0  0  0
 28 23  1  0  0  0  0
 29  6  1  0  0  0  0
 29 17  1  0  0  0  0
 29 25  1  0  0  0  0
 30  7  1  0  0  0  0
 30 21  1  0  0  0  0
 30 22  1  0  0  0  0
 30 29  1  0  0  0  0
 31 16  2  0  0  0  0
 32 18  2  0  0  0  0
 33 20  2  0  0  0  0
 34 21  2  0  0  0  0
 35 24  2  0  0  0  0
 36 25  2  0  0  0  0
 37 26  2  0  0  0  0
 38 26  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0033022

> <DATABASE_NAME>
hmdb

> <SMILES>
CC(CC(=O)CC(C)C(O)=O)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3=O

> <INCHI_IDENTIFIER>
InChI=1S/C30H38O8/c1-14(10-16(31)11-15(2)26(37)38)17-12-21(34)30(7)22-18(32)13-19-27(3,4)20(33)8-9-28(19,5)23(22)24(35)25(36)29(17,30)6/h14-15,17,19H,8-13H2,1-7H3,(H,37,38)

> <INCHI_KEY>
AKWNYHCILPEENZ-UHFFFAOYSA-N

> <FORMULA>
C30H38O8

> <MOLECULAR_WEIGHT>
526.6179

> <EXACT_MASS>
526.256668192

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_AVERAGE_POLARIZABILITY>
55.49413376178098

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-methyl-4-oxo-6-{2,6,6,11,15-pentamethyl-5,9,12,16,17-pentaoxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl}heptanoic acid

> <ALOGPS_LOGP>
3.52

> <JCHEM_LOGP>
4.787022682333333

> <ALOGPS_LOGS>
-4.73

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
18.66120534553129

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.126220832943445

> <JCHEM_PKA_STRONGEST_BASIC>
-6.988513446583705

> <JCHEM_POLAR_SURFACE_AREA>
139.71999999999997

> <JCHEM_REFRACTIVITY>
138.08149999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
9.78e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-methyl-4-oxo-6-{2,6,6,11,15-pentamethyl-5,9,12,16,17-pentaoxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl}heptanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0033022 (Ganosporeric acid A)

HMDB0033022
     RDKit          3D
Ganosporeric acid A
 76 79  0  0  0  0  0  0  0  0999 V2000
    5.0619    1.8028    1.9183 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2273    1.2729    1.1307 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9084   -0.0524    0.4884 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7581    0.0506   -0.4488 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2487    1.1756   -0.5596 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2821   -1.1413   -1.1847 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9842   -0.8509   -1.9645 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2199    0.2638   -2.8945 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8620   -0.9309   -1.0649 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7612   -0.0371    0.1172 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5319   -0.6389    0.7656 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2701   -0.5361    1.9321 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2705   -1.3634   -0.2909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2324   -2.8538   -0.1164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6579   -0.8764   -0.2083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0721    0.3091   -0.6612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2604    0.8620   -1.7365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5107    1.9707   -2.2721 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0884    0.1374   -2.2554 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4113    0.5643   -3.3170 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4603   -1.0185   -1.5719 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3084   -2.1930   -2.5556 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2671    0.9811   -0.1068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6361    2.1118   -1.0402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8270    1.6241    1.1902 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9378    2.3354    1.9106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2598    1.7432    1.5763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2643    2.3916    1.5769 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3014    0.3096    1.2379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9320   -0.5089    2.4520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7416   -0.0943    0.8850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4335    0.0454    0.0543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0969   -1.4094    0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6821   -1.6987    0.4268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4161   -2.5878    1.2718 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4561    1.1700    1.9558 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4441    1.5062    3.1716 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6474    0.7065    1.4257 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3807    2.3162    2.8533 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4087    0.9210    2.1479 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4552    2.5354    1.3439 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4287    1.9931    0.3146 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7181   -0.8451    1.2623 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8025   -0.3405   -0.1073 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0725   -1.5130   -1.8375 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0912   -1.9381   -0.4225 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9120   -1.8050   -2.6226 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3526    0.4241   -3.0158 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8832    1.2671   -2.5760 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9478    0.0118   -3.9573 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9959   -1.9819   -0.5547 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5515    1.0106   -0.0643 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5581   -0.2388    0.8846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1735   -3.3321   -0.5130 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5762   -3.3722   -0.6648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0768   -3.0720    0.9518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6753   -2.6540   -2.3565 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2363   -1.8080   -3.6156 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1681   -2.8575   -2.5321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7724    1.7940   -2.0923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0137    3.0168   -0.9192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6980    2.4088   -0.7333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0942    2.4302    0.8837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2341    0.9427    1.8348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8075    2.1679    3.0197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9899    3.4193    1.6976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8624   -0.6371    2.5920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3095    0.0775    3.3414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4692   -1.4800    2.4996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6924   -1.1030    0.4283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3061   -0.1653    1.8181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2073    0.6661    0.2269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0926    0.2235   -0.8517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1817   -1.8283   -1.0229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7609   -2.0325    0.6460 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9230    0.8360    0.4744 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  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
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  1  0
 16 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  2  0
 27 29  1  0
 29 30  1  0
 29 31  1  0
 29 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  2  0
  2 36  1  0
 36 37  2  0
 36 38  1  0
 21  9  1  0
 32 23  1  0
 21 13  1  0
 34 15  1  0
  1 39  1  0
  1 40  1  0
  1 41  1  0
  2 42  1  0
  3 43  1  0
  3 44  1  0
  6 45  1  0
  6 46  1  0
  7 47  1  0
  8 48  1  0
  8 49  1  0
  8 50  1  0
  9 51  1  0
 10 52  1  0
 10 53  1  0
 14 54  1  0
 14 55  1  0
 14 56  1  0
 22 57  1  0
 22 58  1  0
 22 59  1  0
 24 60  1  0
 24 61  1  0
 24 62  1  0
 25 63  1  0
 25 64  1  0
 26 65  1  0
 26 66  1  0
 30 67  1  0
 30 68  1  0
 30 69  1  0
 31 70  1  0
 31 71  1  0
 31 72  1  0
 32 73  1  0
 33 74  1  0
 33 75  1  0
 38 76  1  0
M  END
Download

PDB for HMDB0033022 (Ganosporeric acid A)

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       2.217   6.951   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       7.551   6.951   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -4.048  -2.347   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -3.636  -4.283   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.801  -0.965   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.187   3.585   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -2.316   2.628   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -0.151  -3.894   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.325  -2.429   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       3.550   4.641   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       6.218   4.641   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -0.524   5.267   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -3.243  -0.461   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.217   5.411   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       7.551   5.411   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.884   5.411   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       0.883   4.641   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -2.767   1.004   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -2.212  -1.605   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -1.657  -4.214   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -1.554   4.123   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -1.260   1.324   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -0.230   0.180   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       1.277   0.500   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       1.752   1.965   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       8.885   4.641   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -2.688  -3.070   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -0.706  -1.285   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       0.722   3.109   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -0.784   2.789   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       4.884   6.951   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0      -3.797   2.149   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0      -2.133  -5.679   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0      -3.086   4.283   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0       2.307  -0.645   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0       3.259   2.285   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0      10.219   5.411   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0       8.885   3.101   0.000  0.00  0.00           O+0
CONECT    1   14                                                            
CONECT    2   15                                                            
CONECT    3   27                                                            
CONECT    4   27                                                            
CONECT    5   28                                                            
CONECT    6   29                                                            
CONECT    7   30                                                            
CONECT    8    9   20                                                       
CONECT    9    8   28                                                       
CONECT   10   14   16                                                       
CONECT   11   15   16                                                       
CONECT   12   17   21                                                       
CONECT   13   18   19                                                       
CONECT   14    1   10   17                                                  
CONECT   15    2   11   26                                                  
CONECT   16   10   11   31                                                  
CONECT   17   12   14   29                                                  
CONECT   18   13   22   32                                                  
CONECT   19   13   27   28                                                  
CONECT   20    8   27   33                                                  
CONECT   21   12   30   34                                                  
CONECT   22   18   23   30                                                  
CONECT   23   22   24   28                                                  
CONECT   24   23   25   35                                                  
CONECT   25   24   29   36                                                  
CONECT   26   15   37   38                                                  
CONECT   27    3    4   19   20                                             
CONECT   28    5    9   19   23                                             
CONECT   29    6   17   25   30                                             
CONECT   30    7   21   22   29                                             
CONECT   31   16                                                            
CONECT   32   18                                                            
CONECT   33   20                                                            
CONECT   34   21                                                            
CONECT   35   24                                                            
CONECT   36   25                                                            
CONECT   37   26                                                            
CONECT   38   26                                                            
MASTER        0    0    0    0    0    0    0    0   38    0   82    0
END
Download

3D PDB for HMDB0033022 (Ganosporeric acid A)

COMPND    HMDB0033022
HETATM    1  C1  UNL     1       5.062   1.803   1.918  1.00  0.00           C  
HETATM    2  C2  UNL     1       6.227   1.273   1.131  1.00  0.00           C  
HETATM    3  C3  UNL     1       5.908  -0.052   0.488  1.00  0.00           C  
HETATM    4  C4  UNL     1       4.758   0.051  -0.449  1.00  0.00           C  
HETATM    5  O1  UNL     1       4.249   1.176  -0.560  1.00  0.00           O  
HETATM    6  C5  UNL     1       4.282  -1.141  -1.185  1.00  0.00           C  
HETATM    7  C6  UNL     1       2.984  -0.851  -1.964  1.00  0.00           C  
HETATM    8  C7  UNL     1       3.220   0.264  -2.894  1.00  0.00           C  
HETATM    9  C8  UNL     1       1.862  -0.931  -1.065  1.00  0.00           C  
HETATM   10  C9  UNL     1       1.761  -0.037   0.117  1.00  0.00           C  
HETATM   11  C10 UNL     1       0.532  -0.639   0.766  1.00  0.00           C  
HETATM   12  O2  UNL     1       0.270  -0.536   1.932  1.00  0.00           O  
HETATM   13  C11 UNL     1      -0.271  -1.363  -0.291  1.00  0.00           C  
HETATM   14  C12 UNL     1      -0.232  -2.854  -0.116  1.00  0.00           C  
HETATM   15  C13 UNL     1      -1.658  -0.876  -0.208  1.00  0.00           C  
HETATM   16  C14 UNL     1      -2.072   0.309  -0.661  1.00  0.00           C  
HETATM   17  C15 UNL     1      -1.260   0.862  -1.736  1.00  0.00           C  
HETATM   18  O3  UNL     1      -1.511   1.971  -2.272  1.00  0.00           O  
HETATM   19  C16 UNL     1      -0.088   0.137  -2.255  1.00  0.00           C  
HETATM   20  O4  UNL     1       0.411   0.564  -3.317  1.00  0.00           O  
HETATM   21  C17 UNL     1       0.460  -1.019  -1.572  1.00  0.00           C  
HETATM   22  C18 UNL     1       0.308  -2.193  -2.556  1.00  0.00           C  
HETATM   23  C19 UNL     1      -3.267   0.981  -0.107  1.00  0.00           C  
HETATM   24  C20 UNL     1      -3.636   2.112  -1.040  1.00  0.00           C  
HETATM   25  C21 UNL     1      -2.827   1.624   1.190  1.00  0.00           C  
HETATM   26  C22 UNL     1      -3.938   2.335   1.911  1.00  0.00           C  
HETATM   27  C23 UNL     1      -5.260   1.743   1.576  1.00  0.00           C  
HETATM   28  O5  UNL     1      -6.264   2.392   1.577  1.00  0.00           O  
HETATM   29  C24 UNL     1      -5.301   0.310   1.238  1.00  0.00           C  
HETATM   30  C25 UNL     1      -4.932  -0.509   2.452  1.00  0.00           C  
HETATM   31  C26 UNL     1      -6.742  -0.094   0.885  1.00  0.00           C  
HETATM   32  C27 UNL     1      -4.434   0.045   0.054  1.00  0.00           C  
HETATM   33  C28 UNL     1      -4.097  -1.409   0.001  1.00  0.00           C  
HETATM   34  C29 UNL     1      -2.682  -1.699   0.427  1.00  0.00           C  
HETATM   35  O6  UNL     1      -2.416  -2.588   1.272  1.00  0.00           O  
HETATM   36  C30 UNL     1       7.456   1.170   1.956  1.00  0.00           C  
HETATM   37  O7  UNL     1       7.444   1.506   3.172  1.00  0.00           O  
HETATM   38  O8  UNL     1       8.647   0.706   1.426  1.00  0.00           O  
HETATM   39  H1  UNL     1       5.381   2.316   2.853  1.00  0.00           H  
HETATM   40  H2  UNL     1       4.409   0.921   2.148  1.00  0.00           H  
HETATM   41  H3  UNL     1       4.455   2.535   1.344  1.00  0.00           H  
HETATM   42  H4  UNL     1       6.429   1.993   0.315  1.00  0.00           H  
HETATM   43  H5  UNL     1       5.718  -0.845   1.262  1.00  0.00           H  
HETATM   44  H6  UNL     1       6.802  -0.340  -0.107  1.00  0.00           H  
HETATM   45  H7  UNL     1       5.072  -1.513  -1.837  1.00  0.00           H  
HETATM   46  H8  UNL     1       4.091  -1.938  -0.423  1.00  0.00           H  
HETATM   47  H9  UNL     1       2.912  -1.805  -2.623  1.00  0.00           H  
HETATM   48  H10 UNL     1       4.353   0.424  -3.016  1.00  0.00           H  
HETATM   49  H11 UNL     1       2.883   1.267  -2.576  1.00  0.00           H  
HETATM   50  H12 UNL     1       2.948   0.012  -3.957  1.00  0.00           H  
HETATM   51  H13 UNL     1       1.996  -1.982  -0.555  1.00  0.00           H  
HETATM   52  H14 UNL     1       1.552   1.011  -0.064  1.00  0.00           H  
HETATM   53  H15 UNL     1       2.558  -0.239   0.885  1.00  0.00           H  
HETATM   54  H16 UNL     1      -1.174  -3.332  -0.513  1.00  0.00           H  
HETATM   55  H17 UNL     1       0.576  -3.372  -0.665  1.00  0.00           H  
HETATM   56  H18 UNL     1      -0.077  -3.072   0.952  1.00  0.00           H  
HETATM   57  H19 UNL     1      -0.675  -2.654  -2.356  1.00  0.00           H  
HETATM   58  H20 UNL     1       0.236  -1.808  -3.616  1.00  0.00           H  
HETATM   59  H21 UNL     1       1.168  -2.858  -2.532  1.00  0.00           H  
HETATM   60  H22 UNL     1      -3.772   1.794  -2.092  1.00  0.00           H  
HETATM   61  H23 UNL     1      -3.014   3.017  -0.919  1.00  0.00           H  
HETATM   62  H24 UNL     1      -4.698   2.409  -0.733  1.00  0.00           H  
HETATM   63  H25 UNL     1      -2.094   2.430   0.884  1.00  0.00           H  
HETATM   64  H26 UNL     1      -2.234   0.943   1.835  1.00  0.00           H  
HETATM   65  H27 UNL     1      -3.808   2.168   3.020  1.00  0.00           H  
HETATM   66  H28 UNL     1      -3.990   3.419   1.698  1.00  0.00           H  
HETATM   67  H29 UNL     1      -3.862  -0.637   2.592  1.00  0.00           H  
HETATM   68  H30 UNL     1      -5.309   0.078   3.341  1.00  0.00           H  
HETATM   69  H31 UNL     1      -5.469  -1.480   2.500  1.00  0.00           H  
HETATM   70  H32 UNL     1      -6.692  -1.103   0.428  1.00  0.00           H  
HETATM   71  H33 UNL     1      -7.306  -0.165   1.818  1.00  0.00           H  
HETATM   72  H34 UNL     1      -7.207   0.666   0.227  1.00  0.00           H  
HETATM   73  H35 UNL     1      -5.093   0.224  -0.852  1.00  0.00           H  
HETATM   74  H36 UNL     1      -4.182  -1.828  -1.023  1.00  0.00           H  
HETATM   75  H37 UNL     1      -4.761  -2.033   0.646  1.00  0.00           H  
HETATM   76  H38 UNL     1       8.923   0.836   0.474  1.00  0.00           H  
CONECT    1    2   39   40   41
CONECT    2    3   36   42
CONECT    3    4   43   44
CONECT    4    5    5    6
CONECT    6    7   45   46
CONECT    7    8    9   47
CONECT    8   48   49   50
CONECT    9   10   21   51
CONECT   10   11   52   53
CONECT   11   12   12   13
CONECT   13   14   15   21
CONECT   14   54   55   56
CONECT   15   16   16   34
CONECT   16   17   23
CONECT   17   18   18   19
CONECT   19   20   20   21
CONECT   21   22
CONECT   22   57   58   59
CONECT   23   24   25   32
CONECT   24   60   61   62
CONECT   25   26   63   64
CONECT   26   27   65   66
CONECT   27   28   28   29
CONECT   29   30   31   32
CONECT   30   67   68   69
CONECT   31   70   71   72
CONECT   32   33   73
CONECT   33   34   74   75
CONECT   34   35   35
CONECT   36   37   37   38
CONECT   38   76
END
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SMILES for HMDB0033022 (Ganosporeric acid A)

CC(CC(=O)CC(C)C(O)=O)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3=O
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INCHI for HMDB0033022 (Ganosporeric acid A)

InChI=1S/C30H38O8/c1-14(10-16(31)11-15(2)26(37)38)17-12-21(34)30(7)22-18(32)13-19-27(3,4)20(33)8-9-28(19,5)23(22)24(35)25(36)29(17,30)6/h14-15,17,19H,8-13H2,1-7H3,(H,37,38)
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View in JSmolView Stereo Labels
Synonyms
ValueSource
Ganosporerate aGenerator
3,7,11,12,15,23-Hexanoxo-5 alpha-lanosta-8-en-26-Oic acidMeSH
3,7,11,12,15,13-Hexaoxolanost-8-en-26-Oic acidHMDB
3,7,11,12,15,23-hexanoxo-5alpha-Lanosta-8-en-26-Oic acidHMDB
3,7,11,12,15,23-hexaoxo-(25R)-Lanost-8-en-26-Oic acidHMDB
2-Methyl-4-oxo-6-{2,6,6,11,15-pentamethyl-5,9,12,16,17-pentaoxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl}heptanoateGenerator
Ganosporeric acid aMeSH
Chemical FormulaC30H38O8
Average Molecular Weight526.6179
Monoisotopic Molecular Weight526.256668192
IUPAC Name2-methyl-4-oxo-6-{2,6,6,11,15-pentamethyl-5,9,12,16,17-pentaoxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl}heptanoic acid
Traditional Name2-methyl-4-oxo-6-{2,6,6,11,15-pentamethyl-5,9,12,16,17-pentaoxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl}heptanoic acid
CAS Registry Number135357-25-4
SMILES
CC(CC(=O)CC(C)C(O)=O)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3=O
InChI Identifier
InChI=1S/C30H38O8/c1-14(10-16(31)11-15(2)26(37)38)17-12-21(34)30(7)22-18(32)13-19-27(3,4)20(33)8-9-28(19,5)23(22)24(35)25(36)29(17,30)6/h14-15,17,19H,8-13H2,1-7H3,(H,37,38)
InChI KeyAKWNYHCILPEENZ-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassPrenol lipids
Sub ClassTriterpenoids
Direct ParentTriterpenoids
Alternative Parents
Substituents
  • Triterpenoid
  • 23-oxosteroid
  • Bile acid, alcohol, or derivatives
  • Steroid acid
  • 14-alpha-methylsteroid
  • 7-oxosteroid
  • Oxosteroid
  • 12-oxosteroid
  • 15-oxosteroid
  • 11-oxosteroid
  • 3-oxosteroid
  • Steroid
  • Medium-chain keto acid
  • Gamma-keto acid
  • Cyclohexenone
  • Keto acid
  • Cyclic ketone
  • Ketone
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Carboxylic acid derivative
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Carbonyl group
  • Aliphatic homopolycyclic compound
Molecular FrameworkAliphatic homopolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological locationRoute of exposureSource
Process
Naturally occurring process
Role
Biological roleIndustrial application
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point115 - 118 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.0098 g/LALOGPS
logP3.52ALOGPS
logP4.79ChemAxon
logS-4.7ALOGPS
pKa (Strongest Acidic)4.13ChemAxon
pKa (Strongest Basic)-7ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area139.72 ŲChemAxon
Rotatable Bond Count6ChemAxon
Refractivity138.08 m³·mol⁻¹ChemAxon
Polarizability55.49 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityYesChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+219.2831661259
DarkChem[M-H]-215.96831661259
DeepCCS[M-2H]-256.82630932474
DeepCCS[M+Na]+231.85430932474
AllCCS[M+H]+219.532859911
AllCCS[M+H-H2O]+218.132859911
AllCCS[M+NH4]+220.932859911
AllCCS[M+Na]+221.332859911
AllCCS[M-H]-225.932859911
AllCCS[M+Na-2H]-228.532859911
AllCCS[M+HCOO]-231.432859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Ganosporeric acid ACC(CC(=O)CC(C)C(O)=O)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3=O5389.4Standard polar33892256
Ganosporeric acid ACC(CC(=O)CC(C)C(O)=O)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3=O2983.1Standard non polar33892256
Ganosporeric acid ACC(CC(=O)CC(C)C(O)=O)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3=O4048.2Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Ganosporeric acid A,1TMS,isomer #1CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3=O)C(=O)O[Si](C)(C)C4008.7Semi standard non polar33892256
Ganosporeric acid A,1TMS,isomer #1CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3=O)C(=O)O[Si](C)(C)C4008.7Semi standard non polar33892256
Ganosporeric acid A,1TMS,isomer #2CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3=O)O[Si](C)(C)C)C(=O)O3984.0Semi standard non polar33892256
Ganosporeric acid A,1TMS,isomer #2CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3=O)O[Si](C)(C)C)C(=O)O3984.0Semi standard non polar33892256
Ganosporeric acid A,1TMS,isomer #3CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3=O)O[Si](C)(C)C)C(=O)O4018.4Semi standard non polar33892256
Ganosporeric acid A,1TMS,isomer #3CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3=O)O[Si](C)(C)C)C(=O)O4018.4Semi standard non polar33892256
Ganosporeric acid A,1TMS,isomer #4CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3=O)C(=O)O3845.9Semi standard non polar33892256
Ganosporeric acid A,1TMS,isomer #4CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3=O)C(=O)O3845.9Semi standard non polar33892256
Ganosporeric acid A,1TMS,isomer #5CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3=O)C(=O)O3843.0Semi standard non polar33892256
Ganosporeric acid A,1TMS,isomer #5CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3=O)C(=O)O3843.0Semi standard non polar33892256
Ganosporeric acid A,1TMS,isomer #6CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1C=C3O[Si](C)(C)C)C(=O)O3817.4Semi standard non polar33892256
Ganosporeric acid A,1TMS,isomer #6CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1C=C3O[Si](C)(C)C)C(=O)O3817.4Semi standard non polar33892256
Ganosporeric acid A,2TMS,isomer #1CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C3962.7Semi standard non polar33892256
Ganosporeric acid A,2TMS,isomer #1CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C3833.0Standard non polar33892256
Ganosporeric acid A,2TMS,isomer #10CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3=O)O[Si](C)(C)C)C(=O)O3795.5Semi standard non polar33892256
Ganosporeric acid A,2TMS,isomer #10CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3=O)O[Si](C)(C)C)C(=O)O3663.0Standard non polar33892256
Ganosporeric acid A,2TMS,isomer #11CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1C=C3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O3807.0Semi standard non polar33892256
Ganosporeric acid A,2TMS,isomer #11CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1C=C3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O3773.6Standard non polar33892256
Ganosporeric acid A,2TMS,isomer #12CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3=O)C(=O)O3684.8Semi standard non polar33892256
Ganosporeric acid A,2TMS,isomer #12CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3=O)C(=O)O3497.7Standard non polar33892256
Ganosporeric acid A,2TMS,isomer #13CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1C=C3O[Si](C)(C)C)C(=O)O3718.2Semi standard non polar33892256
Ganosporeric acid A,2TMS,isomer #13CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1C=C3O[Si](C)(C)C)C(=O)O3590.4Standard non polar33892256
Ganosporeric acid A,2TMS,isomer #14CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1C=C3O[Si](C)(C)C)C(=O)O3692.5Semi standard non polar33892256
Ganosporeric acid A,2TMS,isomer #14CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1C=C3O[Si](C)(C)C)C(=O)O3619.8Standard non polar33892256
Ganosporeric acid A,2TMS,isomer #2CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C3926.2Semi standard non polar33892256
Ganosporeric acid A,2TMS,isomer #2CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C3842.6Standard non polar33892256
Ganosporeric acid A,2TMS,isomer #3CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3=O)C(=O)O[Si](C)(C)C3833.7Semi standard non polar33892256
Ganosporeric acid A,2TMS,isomer #3CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3=O)C(=O)O[Si](C)(C)C3648.4Standard non polar33892256
Ganosporeric acid A,2TMS,isomer #4CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3=O)C(=O)O[Si](C)(C)C3814.7Semi standard non polar33892256
Ganosporeric acid A,2TMS,isomer #4CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3=O)C(=O)O[Si](C)(C)C3643.2Standard non polar33892256
Ganosporeric acid A,2TMS,isomer #5CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1C=C3O[Si](C)(C)C)C(=O)O[Si](C)(C)C3810.5Semi standard non polar33892256
Ganosporeric acid A,2TMS,isomer #5CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1C=C3O[Si](C)(C)C)C(=O)O[Si](C)(C)C3769.2Standard non polar33892256
Ganosporeric acid A,2TMS,isomer #6CC(C=C(CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3=O)O[Si](C)(C)C)C(=O)O3799.0Semi standard non polar33892256
Ganosporeric acid A,2TMS,isomer #6CC(C=C(CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3=O)O[Si](C)(C)C)C(=O)O3702.2Standard non polar33892256
Ganosporeric acid A,2TMS,isomer #7CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3=O)O[Si](C)(C)C)C(=O)O3774.2Semi standard non polar33892256
Ganosporeric acid A,2TMS,isomer #7CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3=O)O[Si](C)(C)C)C(=O)O3693.3Standard non polar33892256
Ganosporeric acid A,2TMS,isomer #8CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1C=C3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O3788.1Semi standard non polar33892256
Ganosporeric acid A,2TMS,isomer #8CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1C=C3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O3798.8Standard non polar33892256
Ganosporeric acid A,2TMS,isomer #9CC(CC(=CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3=O)O[Si](C)(C)C)C(=O)O3824.4Semi standard non polar33892256
Ganosporeric acid A,2TMS,isomer #9CC(CC(=CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3=O)O[Si](C)(C)C)C(=O)O3686.3Standard non polar33892256
Ganosporeric acid A,3TMS,isomer #1CC(CC(=CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C3760.1Semi standard non polar33892256
Ganosporeric acid A,3TMS,isomer #1CC(CC(=CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C3717.3Standard non polar33892256
Ganosporeric acid A,3TMS,isomer #10CC(C=C(CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3=O)O[Si](C)(C)C)C(=O)O3604.4Semi standard non polar33892256
Ganosporeric acid A,3TMS,isomer #10CC(C=C(CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3=O)O[Si](C)(C)C)C(=O)O3529.9Standard non polar33892256
Ganosporeric acid A,3TMS,isomer #11CC(C=C(CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1C=C3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O3674.1Semi standard non polar33892256
Ganosporeric acid A,3TMS,isomer #11CC(C=C(CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1C=C3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O3646.2Standard non polar33892256
Ganosporeric acid A,3TMS,isomer #12CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1C=C3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O3647.8Semi standard non polar33892256
Ganosporeric acid A,3TMS,isomer #12CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1C=C3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O3678.8Standard non polar33892256
Ganosporeric acid A,3TMS,isomer #13CC(CC(=CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3=O)O[Si](C)(C)C)C(=O)O3628.5Semi standard non polar33892256
Ganosporeric acid A,3TMS,isomer #13CC(CC(=CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3=O)O[Si](C)(C)C)C(=O)O3524.4Standard non polar33892256
Ganosporeric acid A,3TMS,isomer #14CC(CC(=CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1C=C3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O3690.9Semi standard non polar33892256
Ganosporeric acid A,3TMS,isomer #14CC(CC(=CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1C=C3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O3628.3Standard non polar33892256
Ganosporeric acid A,3TMS,isomer #15CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1C=C3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O3656.8Semi standard non polar33892256
Ganosporeric acid A,3TMS,isomer #15CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1C=C3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O3645.4Standard non polar33892256
Ganosporeric acid A,3TMS,isomer #16CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1C=C3O[Si](C)(C)C)C(=O)O3606.6Semi standard non polar33892256
Ganosporeric acid A,3TMS,isomer #16CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1C=C3O[Si](C)(C)C)C(=O)O3476.7Standard non polar33892256
Ganosporeric acid A,3TMS,isomer #2CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C3722.0Semi standard non polar33892256
Ganosporeric acid A,3TMS,isomer #2CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C3699.1Standard non polar33892256
Ganosporeric acid A,3TMS,isomer #3CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1C=C3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C3753.7Semi standard non polar33892256
Ganosporeric acid A,3TMS,isomer #3CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1C=C3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C3841.0Standard non polar33892256
Ganosporeric acid A,3TMS,isomer #4CC(C=C(CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C3715.4Semi standard non polar33892256
Ganosporeric acid A,3TMS,isomer #4CC(C=C(CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C3703.2Standard non polar33892256
Ganosporeric acid A,3TMS,isomer #5CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C3690.7Semi standard non polar33892256
Ganosporeric acid A,3TMS,isomer #5CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C3701.6Standard non polar33892256
Ganosporeric acid A,3TMS,isomer #6CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1C=C3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C3721.4Semi standard non polar33892256
Ganosporeric acid A,3TMS,isomer #6CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1C=C3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C3843.8Standard non polar33892256
Ganosporeric acid A,3TMS,isomer #7CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3=O)C(=O)O[Si](C)(C)C3631.4Semi standard non polar33892256
Ganosporeric acid A,3TMS,isomer #7CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3=O)C(=O)O[Si](C)(C)C3510.1Standard non polar33892256
Ganosporeric acid A,3TMS,isomer #8CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1C=C3O[Si](C)(C)C)C(=O)O[Si](C)(C)C3699.2Semi standard non polar33892256
Ganosporeric acid A,3TMS,isomer #8CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1C=C3O[Si](C)(C)C)C(=O)O[Si](C)(C)C3612.9Standard non polar33892256
Ganosporeric acid A,3TMS,isomer #9CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1C=C3O[Si](C)(C)C)C(=O)O[Si](C)(C)C3663.9Semi standard non polar33892256
Ganosporeric acid A,3TMS,isomer #9CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1C=C3O[Si](C)(C)C)C(=O)O[Si](C)(C)C3648.5Standard non polar33892256
Ganosporeric acid A,4TMS,isomer #1CC(CC(=CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C3556.1Semi standard non polar33892256
Ganosporeric acid A,4TMS,isomer #1CC(CC(=CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C3553.2Standard non polar33892256
Ganosporeric acid A,4TMS,isomer #2CC(CC(=CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1C=C3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C3640.8Semi standard non polar33892256
Ganosporeric acid A,4TMS,isomer #2CC(CC(=CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1C=C3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C3665.7Standard non polar33892256
Ganosporeric acid A,4TMS,isomer #3CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1C=C3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C3593.9Semi standard non polar33892256
Ganosporeric acid A,4TMS,isomer #3CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1C=C3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C3680.8Standard non polar33892256
Ganosporeric acid A,4TMS,isomer #4CC(C=C(CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C3520.9Semi standard non polar33892256
Ganosporeric acid A,4TMS,isomer #4CC(C=C(CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C3533.2Standard non polar33892256
Ganosporeric acid A,4TMS,isomer #5CC(C=C(CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1C=C3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C3603.9Semi standard non polar33892256
Ganosporeric acid A,4TMS,isomer #5CC(C=C(CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1C=C3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C3650.0Standard non polar33892256
Ganosporeric acid A,4TMS,isomer #6CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1C=C3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C3567.3Semi standard non polar33892256
Ganosporeric acid A,4TMS,isomer #6CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1C=C3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C3686.3Standard non polar33892256
Ganosporeric acid A,4TMS,isomer #7CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1C=C3O[Si](C)(C)C)C(=O)O[Si](C)(C)C3556.0Semi standard non polar33892256
Ganosporeric acid A,4TMS,isomer #7CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1C=C3O[Si](C)(C)C)C(=O)O[Si](C)(C)C3499.8Standard non polar33892256
Ganosporeric acid A,4TMS,isomer #8CC(C=C(CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1C=C3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O3568.1Semi standard non polar33892256
Ganosporeric acid A,4TMS,isomer #8CC(C=C(CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1C=C3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O3484.5Standard non polar33892256
Ganosporeric acid A,4TMS,isomer #9CC(CC(=CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1C=C3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O3582.1Semi standard non polar33892256
Ganosporeric acid A,4TMS,isomer #9CC(CC(=CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1C=C3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O3484.6Standard non polar33892256
Ganosporeric acid A,5TMS,isomer #1CC(CC(=CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1C=C3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C3522.0Semi standard non polar33892256
Ganosporeric acid A,5TMS,isomer #1CC(CC(=CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1C=C3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C3524.3Standard non polar33892256
Ganosporeric acid A,5TMS,isomer #2CC(C=C(CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1C=C3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C3503.8Semi standard non polar33892256
Ganosporeric acid A,5TMS,isomer #2CC(C=C(CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1C=C3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C3499.3Standard non polar33892256
Ganosporeric acid A,1TBDMS,isomer #1CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3=O)C(=O)O[Si](C)(C)C(C)(C)C4291.4Semi standard non polar33892256
Ganosporeric acid A,1TBDMS,isomer #1CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3=O)C(=O)O[Si](C)(C)C(C)(C)C4291.4Semi standard non polar33892256
Ganosporeric acid A,1TBDMS,isomer #2CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3=O)O[Si](C)(C)C(C)(C)C)C(=O)O4245.8Semi standard non polar33892256
Ganosporeric acid A,1TBDMS,isomer #2CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3=O)O[Si](C)(C)C(C)(C)C)C(=O)O4245.8Semi standard non polar33892256
Ganosporeric acid A,1TBDMS,isomer #3CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3=O)O[Si](C)(C)C(C)(C)C)C(=O)O4278.6Semi standard non polar33892256
Ganosporeric acid A,1TBDMS,isomer #3CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3=O)O[Si](C)(C)C(C)(C)C)C(=O)O4278.6Semi standard non polar33892256
Ganosporeric acid A,1TBDMS,isomer #4CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3=O)C(=O)O4094.6Semi standard non polar33892256
Ganosporeric acid A,1TBDMS,isomer #4CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3=O)C(=O)O4094.6Semi standard non polar33892256
Ganosporeric acid A,1TBDMS,isomer #5CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3=O)C(=O)O4097.2Semi standard non polar33892256
Ganosporeric acid A,1TBDMS,isomer #5CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3=O)C(=O)O4097.2Semi standard non polar33892256
Ganosporeric acid A,1TBDMS,isomer #6CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1C=C3O[Si](C)(C)C(C)(C)C)C(=O)O4078.2Semi standard non polar33892256
Ganosporeric acid A,1TBDMS,isomer #6CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1C=C3O[Si](C)(C)C(C)(C)C)C(=O)O4078.2Semi standard non polar33892256
Ganosporeric acid A,2TBDMS,isomer #1CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C4466.4Semi standard non polar33892256
Ganosporeric acid A,2TBDMS,isomer #1CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C4271.7Standard non polar33892256
Ganosporeric acid A,2TBDMS,isomer #10CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3=O)O[Si](C)(C)C(C)(C)C)C(=O)O4286.9Semi standard non polar33892256
Ganosporeric acid A,2TBDMS,isomer #10CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3=O)O[Si](C)(C)C(C)(C)C)C(=O)O4041.0Standard non polar33892256
Ganosporeric acid A,2TBDMS,isomer #11CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1C=C3O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O4286.5Semi standard non polar33892256
Ganosporeric acid A,2TBDMS,isomer #11CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1C=C3O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O4153.3Standard non polar33892256
Ganosporeric acid A,2TBDMS,isomer #12CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3=O)C(=O)O4157.3Semi standard non polar33892256
Ganosporeric acid A,2TBDMS,isomer #12CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3=O)C(=O)O3853.7Standard non polar33892256
Ganosporeric acid A,2TBDMS,isomer #13CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1C=C3O[Si](C)(C)C(C)(C)C)C(=O)O4184.2Semi standard non polar33892256
Ganosporeric acid A,2TBDMS,isomer #13CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1C=C3O[Si](C)(C)C(C)(C)C)C(=O)O3937.0Standard non polar33892256
Ganosporeric acid A,2TBDMS,isomer #14CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1C=C3O[Si](C)(C)C(C)(C)C)C(=O)O4162.9Semi standard non polar33892256
Ganosporeric acid A,2TBDMS,isomer #14CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1C=C3O[Si](C)(C)C(C)(C)C)C(=O)O3970.1Standard non polar33892256
Ganosporeric acid A,2TBDMS,isomer #2CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C4433.5Semi standard non polar33892256
Ganosporeric acid A,2TBDMS,isomer #2CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C4277.8Standard non polar33892256
Ganosporeric acid A,2TBDMS,isomer #3CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3=O)C(=O)O[Si](C)(C)C(C)(C)C4323.9Semi standard non polar33892256
Ganosporeric acid A,2TBDMS,isomer #3CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3=O)C(=O)O[Si](C)(C)C(C)(C)C4049.8Standard non polar33892256
Ganosporeric acid A,2TBDMS,isomer #4CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3=O)C(=O)O[Si](C)(C)C(C)(C)C4316.0Semi standard non polar33892256
Ganosporeric acid A,2TBDMS,isomer #4CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3=O)C(=O)O[Si](C)(C)C(C)(C)C4046.1Standard non polar33892256
Ganosporeric acid A,2TBDMS,isomer #5CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1C=C3O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C4292.3Semi standard non polar33892256
Ganosporeric acid A,2TBDMS,isomer #5CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1C=C3O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C4162.6Standard non polar33892256
Ganosporeric acid A,2TBDMS,isomer #6CC(C=C(CC(C)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3=O)O[Si](C)(C)C(C)(C)C)C(=O)O4287.5Semi standard non polar33892256
Ganosporeric acid A,2TBDMS,isomer #6CC(C=C(CC(C)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3=O)O[Si](C)(C)C(C)(C)C)C(=O)O4090.6Standard non polar33892256
Ganosporeric acid A,2TBDMS,isomer #7CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3=O)O[Si](C)(C)C(C)(C)C)C(=O)O4275.3Semi standard non polar33892256
Ganosporeric acid A,2TBDMS,isomer #7CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3=O)O[Si](C)(C)C(C)(C)C)C(=O)O4078.3Standard non polar33892256
Ganosporeric acid A,2TBDMS,isomer #8CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1C=C3O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O4278.8Semi standard non polar33892256
Ganosporeric acid A,2TBDMS,isomer #8CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1C=C3O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O4183.6Standard non polar33892256
Ganosporeric acid A,2TBDMS,isomer #9CC(CC(=CC(C)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3=O)O[Si](C)(C)C(C)(C)C)C(=O)O4299.3Semi standard non polar33892256
Ganosporeric acid A,2TBDMS,isomer #9CC(CC(=CC(C)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3=O)O[Si](C)(C)C(C)(C)C)C(=O)O4078.8Standard non polar33892256
Ganosporeric acid A,3TBDMS,isomer #1CC(CC(=CC(C)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C4448.3Semi standard non polar33892256
Ganosporeric acid A,3TBDMS,isomer #1CC(CC(=CC(C)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C4291.2Standard non polar33892256
Ganosporeric acid A,3TBDMS,isomer #10CC(C=C(CC(C)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3=O)O[Si](C)(C)C(C)(C)C)C(=O)O4284.8Semi standard non polar33892256
Ganosporeric acid A,3TBDMS,isomer #10CC(C=C(CC(C)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3=O)O[Si](C)(C)C(C)(C)C)C(=O)O4053.7Standard non polar33892256
Ganosporeric acid A,3TBDMS,isomer #11CC(C=C(CC(C)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1C=C3O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O4337.0Semi standard non polar33892256
Ganosporeric acid A,3TBDMS,isomer #11CC(C=C(CC(C)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1C=C3O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O4163.9Standard non polar33892256
Ganosporeric acid A,3TBDMS,isomer #12CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1C=C3O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O4316.4Semi standard non polar33892256
Ganosporeric acid A,3TBDMS,isomer #12CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1C=C3O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O4194.6Standard non polar33892256
Ganosporeric acid A,3TBDMS,isomer #13CC(CC(=CC(C)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3=O)O[Si](C)(C)C(C)(C)C)C(=O)O4289.8Semi standard non polar33892256
Ganosporeric acid A,3TBDMS,isomer #13CC(CC(=CC(C)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3=O)O[Si](C)(C)C(C)(C)C)C(=O)O4041.0Standard non polar33892256
Ganosporeric acid A,3TBDMS,isomer #14CC(CC(=CC(C)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1C=C3O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O4342.6Semi standard non polar33892256
Ganosporeric acid A,3TBDMS,isomer #14CC(CC(=CC(C)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1C=C3O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O4142.5Standard non polar33892256
Ganosporeric acid A,3TBDMS,isomer #15CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1C=C3O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O4315.2Semi standard non polar33892256
Ganosporeric acid A,3TBDMS,isomer #15CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1C=C3O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O4151.7Standard non polar33892256
Ganosporeric acid A,3TBDMS,isomer #16CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1C=C3O[Si](C)(C)C(C)(C)C)C(=O)O4255.6Semi standard non polar33892256
Ganosporeric acid A,3TBDMS,isomer #16CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1C=C3O[Si](C)(C)C(C)(C)C)C(=O)O3955.7Standard non polar33892256
Ganosporeric acid A,3TBDMS,isomer #2CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C4429.0Semi standard non polar33892256
Ganosporeric acid A,3TBDMS,isomer #2CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C4258.0Standard non polar33892256
Ganosporeric acid A,3TBDMS,isomer #3CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1C=C3O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C4424.9Semi standard non polar33892256
Ganosporeric acid A,3TBDMS,isomer #3CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1C=C3O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C4405.1Standard non polar33892256
Ganosporeric acid A,3TBDMS,isomer #4CC(C=C(CC(C)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C4423.8Semi standard non polar33892256
Ganosporeric acid A,3TBDMS,isomer #4CC(C=C(CC(C)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C4269.4Standard non polar33892256
Ganosporeric acid A,3TBDMS,isomer #5CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C4408.1Semi standard non polar33892256
Ganosporeric acid A,3TBDMS,isomer #5CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C4261.8Standard non polar33892256
Ganosporeric acid A,3TBDMS,isomer #6CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1C=C3O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C4405.4Semi standard non polar33892256
Ganosporeric acid A,3TBDMS,isomer #6CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1C=C3O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C4405.9Standard non polar33892256
Ganosporeric acid A,3TBDMS,isomer #7CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3=O)C(=O)O[Si](C)(C)C(C)(C)C4327.9Semi standard non polar33892256
Ganosporeric acid A,3TBDMS,isomer #7CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3=O)C(=O)O[Si](C)(C)C(C)(C)C4042.3Standard non polar33892256
Ganosporeric acid A,3TBDMS,isomer #8CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1C=C3O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C4355.5Semi standard non polar33892256
Ganosporeric acid A,3TBDMS,isomer #8CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CCC(=O)C(C)(C)C1C=C3O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C4144.8Standard non polar33892256
Ganosporeric acid A,3TBDMS,isomer #9CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1C=C3O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C4334.7Semi standard non polar33892256
Ganosporeric acid A,3TBDMS,isomer #9CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(=O)C12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1C=C3O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C4179.0Standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Ganosporeric acid A GC-MS (Non-derivatized) - 70eV, Positivesplash10-01ot-2002910000-cf20a99552ccb1ce1aa52017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Ganosporeric acid A GC-MS (1 TMS) - 70eV, Positivesplash10-00ei-3101390000-f34650594ddd2d97f9062017-10-06Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ganosporeric acid A 10V, Positive-QTOFsplash10-0a6r-1100690000-2eb69b789b44408d04fe2015-04-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ganosporeric acid A 20V, Positive-QTOFsplash10-01p6-2001910000-a70ef5a913915093123b2015-04-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ganosporeric acid A 40V, Positive-QTOFsplash10-0ug4-7401900000-5eac7d5e6b301ee6afdb2015-04-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ganosporeric acid A 10V, Negative-QTOFsplash10-004i-0000290000-8a505d2e13ece5c11fa92015-04-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ganosporeric acid A 20V, Negative-QTOFsplash10-05e9-9200760000-7a22fccf0b6241bdfdfe2015-04-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ganosporeric acid A 40V, Negative-QTOFsplash10-0aos-9011710000-dde23dfc523d67b8e89f2015-04-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ganosporeric acid A 10V, Negative-QTOFsplash10-004i-0000390000-d91fd3bbf640d456b3b82021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ganosporeric acid A 20V, Negative-QTOFsplash10-0002-3006920000-eedeb6d0ae99780060f42021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ganosporeric acid A 40V, Negative-QTOFsplash10-000b-2006900000-387c8a3494733c4bbf752021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ganosporeric acid A 10V, Positive-QTOFsplash10-0fbc-0009530000-f2a6ce54a4bb93e655ca2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ganosporeric acid A 20V, Positive-QTOFsplash10-02di-2209510000-dcf3458e9519769491e32021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ganosporeric acid A 40V, Positive-QTOFsplash10-02g6-9504100000-1e4afc3717183b9851a22021-09-22Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Extracellular
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 IDNot Available
KNApSAcK IDNot Available
Chemspider ID116501
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound131872
PDB IDNot Available
ChEBI ID168325
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
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.