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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 21:26:07 UTC

Update Date

2022-03-07 02:54:52 UTC

HMDB ID

HMDB0036306

Secondary Accession Numbers

HMDB36306

Metabolite Identification

Common Name

Ganoderic acid delta

Description

Ganoderic acid delta, also known as ganoderate delta, belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Based on a literature review a small amount of articles have been published on Ganoderic acid delta.

Structure

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


  Mrv0541 02241210402D          

 37 40  0  0  0  0            999 V2000
   -3.9622   -0.7975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9622   -1.6232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2479   -2.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5349   -1.6232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5349   -0.7975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2479   -0.3860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8207   -2.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1078   -1.6232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1078   -0.7975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8207   -0.3860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3962   -0.3860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3962    0.4355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1078    0.8456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8207    0.4355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3839   -0.6392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8643    0.0254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3839    0.6873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3316    1.9260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8152    1.5131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5309    1.9260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2465    1.5131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9622    1.9260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8152    0.6873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2465    0.6873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6778    1.5131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9622    2.7518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6399   -1.4236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3962    1.2613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3962   -1.2117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3962   -2.0361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5349    0.8456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5349    0.0254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6778   -2.0361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6608   -2.7518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8350   -2.7518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2 35  2  0  0  0  0
  3  4  1  0  0  0  0
  3 36  1  0  0  0  0
  3 37  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  5 34  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 32  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
 11 31  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  1  0  0  0  0
 12 30  1  0  0  0  0
 13 14  1  0  0  0  0
 14 33  2  0  0  0  0
 15 16  1  0  0  0  0
 15 29  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 25  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 26  1  0  0  0  0
 24 27  1  0  0  0  0
 24 28  2  0  0  0  0
M  END

HMDB0036306
     RDKit          3D
Ganoderic acid delta
 81 84  0  0  0  0  0  0  0  0999 V2000
    7.3655    0.9322    0.5921 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6750   -0.1276    1.3721 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0279    0.7803    0.3444 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.4677    0.7343    0.1571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0134   -0.4688    0.2882 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.2355   -0.8189   -0.3320 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4823    0.6887   -0.5723 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.2147    1.0507   -1.8711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0880    0.2316   -0.9151 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.3594    1.8597   -0.1199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7188    3.0264   -0.5081 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8847   -0.2124    2.8085 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6393    0.5997    3.3923 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2513   -1.1947    3.5497 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8960    1.6400    1.2880 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6375    1.5480    0.0205 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1495    0.5046   -0.0668 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3887   -1.7310    1.2935 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6200   -2.5448    0.3883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9362   -0.3333   -1.8841 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.3440   -2.1465   -1.3180 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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  3  4  1  0
  4  5  1  0
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  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
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 13 14  1  0
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 15 16  2  0
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 17 18  2  0
 17 19  1  0
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 20 21  1  0
 16 22  1  0
 22 23  1  0
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 31 32  1  0
 32 33  1  0
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  2 35  1  0
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 20  9  1  0
 31 22  1  0
 20 13  1  0
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 19 58  1  0
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 21 60  1  0
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 29 70  1  0
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 30 73  1  0
 30 74  1  0
 30 75  1  0
 31 76  1  0
 32 77  1  0
 32 78  1  0
 33 79  1  0
 34 80  1  0
 37 81  1  0
M  END


  Mrv0541 02241210402D          

 37 40  0  0  0  0            999 V2000
   -3.9622   -0.7975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9622   -1.6232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2465    1.5131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5349    0.0254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6778   -2.0361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6608   -2.7518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8350   -2.7518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2 35  2  0  0  0  0
  3  4  1  0  0  0  0
  3 36  1  0  0  0  0
  3 37  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  5 34  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 32  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
 11 31  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  1  0  0  0  0
 12 30  1  0  0  0  0
 13 14  1  0  0  0  0
 14 33  2  0  0  0  0
 15 16  1  0  0  0  0
 15 29  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 25  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 26  1  0  0  0  0
 24 27  1  0  0  0  0
 24 28  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0036306

> <DATABASE_NAME>
hmdb

> <SMILES>
CC(CC(O)\C=C(/C)C(O)=O)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O

> <INCHI_IDENTIFIER>
InChI=1S/C30H44O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h11,15,17-19,21,23,31-32,35H,8-10,12-14H2,1-7H3,(H,36,37)/b16-11+

> <INCHI_KEY>
JTBDTJVGIGEPFI-LFIBNONCSA-N

> <FORMULA>
C30H44O7

> <MOLECULAR_WEIGHT>
516.6662

> <EXACT_MASS>
516.308703762

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_AVERAGE_POLARIZABILITY>
57.26258519165751

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2E)-6-{9,12-dihydroxy-2,6,6,11,15-pentamethyl-5,17-dioxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl}-4-hydroxy-2-methylhept-2-enoic acid

> <ALOGPS_LOGP>
3.27

> <JCHEM_LOGP>
3.102176263333334

> <ALOGPS_LOGS>
-4.51

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
14.172389326674612

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.52462234887819

> <JCHEM_PKA_STRONGEST_BASIC>
-2.8802650546723525

> <JCHEM_POLAR_SURFACE_AREA>
132.13

> <JCHEM_REFRACTIVITY>
140.6793

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.58e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2E)-6-{9,12-dihydroxy-2,6,6,11,15-pentamethyl-5,17-dioxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl}-4-hydroxy-2-methylhept-2-enoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0036306
     RDKit          3D
Ganoderic acid delta
 81 84  0  0  0  0  0  0  0  0999 V2000
    7.3655    0.9322    0.5921 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6750   -0.1276    1.3721 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8877   -0.9647    0.7242 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6433   -0.9197   -0.7398 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7820   -2.1418   -1.3440 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3745   -0.2241   -1.0851 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1229   -0.8517   -0.4965 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0607   -2.2174   -1.0448 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9516    0.0279   -0.6299 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1688    1.3731    0.0536 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7378    1.9382   -0.0959 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6396    2.3322   -1.4055 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0279    0.7803    0.3444 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1360    0.7483    1.8797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4677    0.7343    0.1571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0134   -0.4688    0.2882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1760   -1.5977    0.7192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6954   -2.6633    1.1304 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3410   -1.5185    0.6840 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6073   -0.4392   -0.2955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0693   -0.8851   -1.5762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4655   -0.7172    0.0226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5474   -2.1441   -0.5300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1096   -0.7943    1.3903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6049   -0.9843    1.3193 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1958   -0.4080    0.1036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2355   -0.8189   -0.3320 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4823    0.6887   -0.5723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5670    1.8908    0.3086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2147    1.0507   -1.8711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0880    0.2316   -0.9151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2622    1.4503   -1.2532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3594    1.8597   -0.1199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7188    3.0264   -0.5081 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8847   -0.2124    2.8085 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6393    0.5997    3.3923 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2513   -1.1947    3.5497 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8960    1.6400    1.2880 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6375    1.5480    0.0205 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1495    0.5046   -0.0668 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3887   -1.7310    1.2935 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4687   -0.2596   -1.1597 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4826   -2.1601   -2.0607 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4505    0.8112   -0.6405 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2573   -0.0441   -2.1819 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3466   -0.9473    0.6100 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6191   -2.1957   -2.0359 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0239   -2.4752   -1.4323 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5186   -3.0218   -0.4839 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9366    0.3578   -1.6958 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5277    1.3322    1.0620 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8723    2.0263   -0.5163 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6224    2.7849    0.5981 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4885    2.3618   -1.8968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0720    1.8145    2.1878 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    0.5221    2.2180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6761    0.1686    2.3613 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6353   -1.3591    1.7203 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6200   -2.5448    0.3883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9362   -0.3333   -1.8841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3381   -1.9625   -1.5741 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6465   -0.8104   -2.4576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3440   -2.1465   -1.3180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6148   -2.4430   -1.0452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8312   -2.8834    0.2174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7861    0.0006    2.0848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7158   -1.7490    1.8468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0570   -0.4845    2.2040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9069   -2.0470    1.3835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1211    2.8082   -0.0621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6756    2.1158    0.3833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2561    1.7360    1.3530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2426    0.6409   -1.8206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7343    0.6279   -2.7566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2152    2.1634   -2.0062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2110   -0.2994   -1.9126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6087    1.2575   -2.1286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9141    2.2900   -1.5914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9645    2.1580    0.7832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9513    3.8197    0.0113 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4836   -0.9635    4.1936 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  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  1  0
 20 21  1  0
 16 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  2  0
 26 28  1  0
 28 29  1  0
 28 30  1  0
 28 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
  2 35  1  0
 35 36  2  0
 35 37  1  0
 20  9  1  0
 31 22  1  0
 20 13  1  0
 33 15  1  0
  1 38  1  0
  1 39  1  0
  1 40  1  0
  3 41  1  0
  4 42  1  0
  5 43  1  0
  6 44  1  0
  6 45  1  0
  7 46  1  0
  8 47  1  0
  8 48  1  0
  8 49  1  0
  9 50  1  0
 10 51  1  0
 10 52  1  0
 11 53  1  0
 12 54  1  0
 14 55  1  0
 14 56  1  0
 14 57  1  0
 19 58  1  0
 19 59  1  0
 21 60  1  0
 21 61  1  0
 21 62  1  0
 23 63  1  0
 23 64  1  0
 23 65  1  0
 24 66  1  0
 24 67  1  0
 25 68  1  0
 25 69  1  0
 29 70  1  0
 29 71  1  0
 29 72  1  0
 30 73  1  0
 30 74  1  0
 30 75  1  0
 31 76  1  0
 32 77  1  0
 32 78  1  0
 33 79  1  0
 34 80  1  0
 37 81  1  0
M  END

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0      -7.396  -1.489   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -7.396  -3.030   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -6.063  -3.801   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -4.732  -3.030   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -4.732  -1.489   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -6.063  -0.721   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -3.399  -3.801   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -2.068  -3.030   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -2.068  -1.489   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -3.399  -0.721   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -0.740  -0.721   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -0.740   0.813   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -2.068   1.578   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -3.399   0.813   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       0.717  -1.193   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       1.613   0.047   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       0.717   1.283   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       0.717   2.824   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -0.619   3.595   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       2.052   3.595   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       3.388   2.824   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       4.724   3.595   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       6.060   2.824   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       7.396   3.595   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       3.388   1.283   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       6.060   1.283   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       8.732   2.824   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0       7.396   5.137   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       1.194  -2.657   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0      -0.740   2.354   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      -0.740  -2.262   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0      -0.740  -3.801   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0      -4.732   1.578   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0      -4.732   0.047   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0      -8.732  -3.801   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0      -6.833  -5.137   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      -5.292  -5.137   0.000  0.00  0.00           C+0
CONECT    1    2    6                                                       
CONECT    2    1    3   35                                                  
CONECT    3    2    4   36   37                                             
CONECT    4    3    5    7                                                  
CONECT    5    4    6   10   34                                             
CONECT    6    1    5                                                       
CONECT    7    4    8                                                       
CONECT    8    7    9   32                                                  
CONECT    9    8   10   11                                                  
CONECT   10    5    9   14                                                  
CONECT   11    9   12   15   31                                             
CONECT   12   11   13   17   30                                             
CONECT   13   12   14                                                       
CONECT   14   10   13   33                                                  
CONECT   15   11   16   29                                                  
CONECT   16   15   17                                                       
CONECT   17   12   16   18                                                  
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21                                                       
CONECT   21   20   22   25                                                  
CONECT   22   21   23                                                       
CONECT   23   22   24   26                                                  
CONECT   24   23   27   28                                                  
CONECT   25   21                                                            
CONECT   26   23                                                            
CONECT   27   24                                                            
CONECT   28   24                                                            
CONECT   29   15                                                            
CONECT   30   12                                                            
CONECT   31   11                                                            
CONECT   32    8                                                            
CONECT   33   14                                                            
CONECT   34    5                                                            
CONECT   35    2                                                            
CONECT   36    3                                                            
CONECT   37    3                                                            
MASTER        0    0    0    0    0    0    0    0   37    0   80    0
END

COMPND    HMDB0036306
HETATM    1  C1  UNL     1       7.365   0.932   0.592  1.00  0.00           C  
HETATM    2  C2  UNL     1       6.675  -0.128   1.372  1.00  0.00           C  
HETATM    3  C3  UNL     1       5.888  -0.965   0.724  1.00  0.00           C  
HETATM    4  C4  UNL     1       5.643  -0.920  -0.740  1.00  0.00           C  
HETATM    5  O1  UNL     1       5.782  -2.142  -1.344  1.00  0.00           O  
HETATM    6  C5  UNL     1       4.374  -0.224  -1.085  1.00  0.00           C  
HETATM    7  C6  UNL     1       3.123  -0.852  -0.497  1.00  0.00           C  
HETATM    8  C7  UNL     1       3.061  -2.217  -1.045  1.00  0.00           C  
HETATM    9  C8  UNL     1       1.952   0.028  -0.630  1.00  0.00           C  
HETATM   10  C9  UNL     1       2.169   1.373   0.054  1.00  0.00           C  
HETATM   11  C10 UNL     1       0.738   1.938  -0.096  1.00  0.00           C  
HETATM   12  O2  UNL     1       0.640   2.332  -1.405  1.00  0.00           O  
HETATM   13  C11 UNL     1      -0.028   0.780   0.344  1.00  0.00           C  
HETATM   14  C12 UNL     1       0.136   0.748   1.880  1.00  0.00           C  
HETATM   15  C13 UNL     1      -1.468   0.734   0.157  1.00  0.00           C  
HETATM   16  C14 UNL     1      -2.013  -0.469   0.288  1.00  0.00           C  
HETATM   17  C15 UNL     1      -1.176  -1.598   0.719  1.00  0.00           C  
HETATM   18  O3  UNL     1      -1.695  -2.663   1.130  1.00  0.00           O  
HETATM   19  C16 UNL     1       0.341  -1.519   0.684  1.00  0.00           C  
HETATM   20  C17 UNL     1       0.607  -0.439  -0.296  1.00  0.00           C  
HETATM   21  C18 UNL     1      -0.069  -0.885  -1.576  1.00  0.00           C  
HETATM   22  C19 UNL     1      -3.466  -0.717   0.023  1.00  0.00           C  
HETATM   23  C20 UNL     1      -3.547  -2.144  -0.530  1.00  0.00           C  
HETATM   24  C21 UNL     1      -4.110  -0.794   1.390  1.00  0.00           C  
HETATM   25  C22 UNL     1      -5.605  -0.984   1.319  1.00  0.00           C  
HETATM   26  C23 UNL     1      -6.196  -0.408   0.104  1.00  0.00           C  
HETATM   27  O4  UNL     1      -7.235  -0.819  -0.332  1.00  0.00           O  
HETATM   28  C24 UNL     1      -5.482   0.689  -0.572  1.00  0.00           C  
HETATM   29  C25 UNL     1      -5.567   1.891   0.309  1.00  0.00           C  
HETATM   30  C26 UNL     1      -6.215   1.051  -1.871  1.00  0.00           C  
HETATM   31  C27 UNL     1      -4.088   0.232  -0.915  1.00  0.00           C  
HETATM   32  C28 UNL     1      -3.262   1.450  -1.253  1.00  0.00           C  
HETATM   33  C29 UNL     1      -2.359   1.860  -0.120  1.00  0.00           C  
HETATM   34  O5  UNL     1      -1.719   3.026  -0.508  1.00  0.00           O  
HETATM   35  C30 UNL     1       6.885  -0.212   2.809  1.00  0.00           C  
HETATM   36  O6  UNL     1       7.639   0.600   3.392  1.00  0.00           O  
HETATM   37  O7  UNL     1       6.251  -1.195   3.550  1.00  0.00           O  
HETATM   38  H1  UNL     1       7.896   1.640   1.288  1.00  0.00           H  
HETATM   39  H2  UNL     1       6.637   1.548   0.021  1.00  0.00           H  
HETATM   40  H3  UNL     1       8.149   0.505  -0.067  1.00  0.00           H  
HETATM   41  H4  UNL     1       5.389  -1.731   1.293  1.00  0.00           H  
HETATM   42  H5  UNL     1       6.469  -0.260  -1.160  1.00  0.00           H  
HETATM   43  H6  UNL     1       6.483  -2.160  -2.061  1.00  0.00           H  
HETATM   44  H7  UNL     1       4.450   0.811  -0.640  1.00  0.00           H  
HETATM   45  H8  UNL     1       4.257  -0.044  -2.182  1.00  0.00           H  
HETATM   46  H9  UNL     1       3.347  -0.947   0.610  1.00  0.00           H  
HETATM   47  H10 UNL     1       3.619  -2.196  -2.036  1.00  0.00           H  
HETATM   48  H11 UNL     1       2.024  -2.475  -1.432  1.00  0.00           H  
HETATM   49  H12 UNL     1       3.519  -3.022  -0.484  1.00  0.00           H  
HETATM   50  H13 UNL     1       1.937   0.358  -1.696  1.00  0.00           H  
HETATM   51  H14 UNL     1       2.528   1.332   1.062  1.00  0.00           H  
HETATM   52  H15 UNL     1       2.872   2.026  -0.516  1.00  0.00           H  
HETATM   53  H16 UNL     1       0.622   2.785   0.598  1.00  0.00           H  
HETATM   54  H17 UNL     1       1.489   2.362  -1.897  1.00  0.00           H  
HETATM   55  H18 UNL     1      -0.072   1.814   2.188  1.00  0.00           H  
HETATM   56  H19 UNL     1       1.133   0.522   2.218  1.00  0.00           H  
HETATM   57  H20 UNL     1      -0.676   0.169   2.361  1.00  0.00           H  
HETATM   58  H21 UNL     1       0.635  -1.359   1.720  1.00  0.00           H  
HETATM   59  H22 UNL     1       0.620  -2.545   0.388  1.00  0.00           H  
HETATM   60  H23 UNL     1      -0.936  -0.333  -1.884  1.00  0.00           H  
HETATM   61  H24 UNL     1      -0.338  -1.962  -1.574  1.00  0.00           H  
HETATM   62  H25 UNL     1       0.646  -0.810  -2.458  1.00  0.00           H  
HETATM   63  H26 UNL     1      -4.344  -2.146  -1.318  1.00  0.00           H  
HETATM   64  H27 UNL     1      -2.615  -2.443  -1.045  1.00  0.00           H  
HETATM   65  H28 UNL     1      -3.831  -2.883   0.217  1.00  0.00           H  
HETATM   66  H29 UNL     1      -3.786   0.001   2.085  1.00  0.00           H  
HETATM   67  H30 UNL     1      -3.716  -1.749   1.847  1.00  0.00           H  
HETATM   68  H31 UNL     1      -6.057  -0.485   2.204  1.00  0.00           H  
HETATM   69  H32 UNL     1      -5.907  -2.047   1.384  1.00  0.00           H  
HETATM   70  H33 UNL     1      -5.121   2.808  -0.062  1.00  0.00           H  
HETATM   71  H34 UNL     1      -6.676   2.116   0.383  1.00  0.00           H  
HETATM   72  H35 UNL     1      -5.256   1.736   1.353  1.00  0.00           H  
HETATM   73  H36 UNL     1      -7.243   0.641  -1.821  1.00  0.00           H  
HETATM   74  H37 UNL     1      -5.734   0.628  -2.757  1.00  0.00           H  
HETATM   75  H38 UNL     1      -6.215   2.163  -2.006  1.00  0.00           H  
HETATM   76  H39 UNL     1      -4.211  -0.299  -1.913  1.00  0.00           H  
HETATM   77  H40 UNL     1      -2.609   1.258  -2.129  1.00  0.00           H  
HETATM   78  H41 UNL     1      -3.914   2.290  -1.591  1.00  0.00           H  
HETATM   79  H42 UNL     1      -2.964   2.158   0.783  1.00  0.00           H  
HETATM   80  H43 UNL     1      -1.951   3.820   0.011  1.00  0.00           H  
HETATM   81  H44 UNL     1       5.484  -0.964   4.194  1.00  0.00           H  
CONECT    1    2   38   39   40
CONECT    2    3    3   35
CONECT    3    4   41
CONECT    4    5    6   42
CONECT    5   43
CONECT    6    7   44   45
CONECT    7    8    9   46
CONECT    8   47   48   49
CONECT    9   10   20   50
CONECT   10   11   51   52
CONECT   11   12   13   53
CONECT   12   54
CONECT   13   14   15   20
CONECT   14   55   56   57
CONECT   15   16   16   33
CONECT   16   17   22
CONECT   17   18   18   19
CONECT   19   20   58   59
CONECT   20   21
CONECT   21   60   61   62
CONECT   22   23   24   31
CONECT   23   63   64   65
CONECT   24   25   66   67
CONECT   25   26   68   69
CONECT   26   27   27   28
CONECT   28   29   30   31
CONECT   29   70   71   72
CONECT   30   73   74   75
CONECT   31   32   76
CONECT   32   33   77   78
CONECT   33   34   79
CONECT   34   80
CONECT   35   36   36   37
CONECT   37   81
END

HMDB0036306
     RDKit          3D
Ganoderic acid delta
 81 84  0  0  0  0  0  0  0  0999 V2000
    7.3655    0.9322    0.5921 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6750   -0.1276    1.3721 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8877   -0.9647    0.7242 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6433   -0.9197   -0.7398 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7820   -2.1418   -1.3440 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3745   -0.2241   -1.0851 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1229   -0.8517   -0.4965 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0607   -2.2174   -1.0448 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9516    0.0279   -0.6299 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1688    1.3731    0.0536 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7378    1.9382   -0.0959 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6396    2.3322   -1.4055 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0279    0.7803    0.3444 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1360    0.7483    1.8797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4677    0.7343    0.1571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0134   -0.4688    0.2882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1760   -1.5977    0.7192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6954   -2.6633    1.1304 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3410   -1.5185    0.6840 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6073   -0.4392   -0.2955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0693   -0.8851   -1.5762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4655   -0.7172    0.0226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5474   -2.1441   -0.5300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1096   -0.7943    1.3903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6049   -0.9843    1.3193 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1958   -0.4080    0.1036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2355   -0.8189   -0.3320 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4823    0.6887   -0.5723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5670    1.8908    0.3086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2147    1.0507   -1.8711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0880    0.2316   -0.9151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2622    1.4503   -1.2532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3594    1.8597   -0.1199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7188    3.0264   -0.5081 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8847   -0.2124    2.8085 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6393    0.5997    3.3923 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2513   -1.1947    3.5497 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8960    1.6400    1.2880 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6375    1.5480    0.0205 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1495    0.5046   -0.0668 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3887   -1.7310    1.2935 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4687   -0.2596   -1.1597 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4826   -2.1601   -2.0607 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4505    0.8112   -0.6405 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2573   -0.0441   -2.1819 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3466   -0.9473    0.6100 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6191   -2.1957   -2.0359 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0239   -2.4752   -1.4323 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5186   -3.0218   -0.4839 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9366    0.3578   -1.6958 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5277    1.3322    1.0620 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8723    2.0263   -0.5163 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6224    2.7849    0.5981 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4885    2.3618   -1.8968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0720    1.8145    2.1878 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    0.5221    2.2180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6761    0.1686    2.3613 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6353   -1.3591    1.7203 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6200   -2.5448    0.3883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9362   -0.3333   -1.8841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3381   -1.9625   -1.5741 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6465   -0.8104   -2.4576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3440   -2.1465   -1.3180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6148   -2.4430   -1.0452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8312   -2.8834    0.2174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7861    0.0006    2.0848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7158   -1.7490    1.8468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0570   -0.4845    2.2040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9069   -2.0470    1.3835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1211    2.8082   -0.0621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6756    2.1158    0.3833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2561    1.7360    1.3530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2426    0.6409   -1.8206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7343    0.6279   -2.7566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2152    2.1634   -2.0062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2110   -0.2994   -1.9126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6087    1.2575   -2.1286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9141    2.2900   -1.5914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9645    2.1580    0.7832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9513    3.8197    0.0113 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4836   -0.9635    4.1936 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  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  1  0
 20 21  1  0
 16 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  2  0
 26 28  1  0
 28 29  1  0
 28 30  1  0
 28 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
  2 35  1  0
 35 36  2  0
 35 37  1  0
 20  9  1  0
 31 22  1  0
 20 13  1  0
 33 15  1  0
  1 38  1  0
  1 39  1  0
  1 40  1  0
  3 41  1  0
  4 42  1  0
  5 43  1  0
  6 44  1  0
  6 45  1  0
  7 46  1  0
  8 47  1  0
  8 48  1  0
  8 49  1  0
  9 50  1  0
 10 51  1  0
 10 52  1  0
 11 53  1  0
 12 54  1  0
 14 55  1  0
 14 56  1  0
 14 57  1  0
 19 58  1  0
 19 59  1  0
 21 60  1  0
 21 61  1  0
 21 62  1  0
 23 63  1  0
 23 64  1  0
 23 65  1  0
 24 66  1  0
 24 67  1  0
 25 68  1  0
 25 69  1  0
 29 70  1  0
 29 71  1  0
 29 72  1  0
 30 73  1  0
 30 74  1  0
 30 75  1  0
 31 76  1  0
 32 77  1  0
 32 78  1  0
 33 79  1  0
 34 80  1  0
 37 81  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
Ganoderate delta	Generator
Ganoderate δ	Generator
Ganoderic acid δ	Generator
7beta,12alpha-Dihydroxy-3,11,23-tetraoxo-5alpha-lanost-8-en-26-Oic acid	HMDB
Ganoderic acid D	HMDB
(2E)-6-{9,12-dihydroxy-2,6,6,11,15-pentamethyl-5,17-dioxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl}-4-hydroxy-2-methylhept-2-enoate	Generator

Chemical Formula

C₃₀H₄₄O₇

Average Molecular Weight

516.6662

Monoisotopic Molecular Weight

516.308703762

IUPAC Name

(2E)-6-{9,12-dihydroxy-2,6,6,11,15-pentamethyl-5,17-dioxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl}-4-hydroxy-2-methylhept-2-enoic acid

Traditional Name

(2E)-6-{9,12-dihydroxy-2,6,6,11,15-pentamethyl-5,17-dioxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl}-4-hydroxy-2-methylhept-2-enoic acid

CAS Registry Number

294674-02-5

SMILES

CC(CC(O)\C=C(/C)C(O)=O)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O

InChI Identifier

InChI=1S/C30H44O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h11,15,17-19,21,23,31-32,35H,8-10,12-14H2,1-7H3,(H,36,37)/b16-11+

InChI Key

JTBDTJVGIGEPFI-LFIBNONCSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Triterpenoids

Direct Parent

Triterpenoids

Alternative Parents

Substituents

Triterpenoid
Trihydroxy bile acid, alcohol, or derivatives
Hydroxy bile acid, alcohol, or derivatives
23-hydroxysteroid
Bile acid, alcohol, or derivatives
Steroid acid
3-oxosteroid
15-hydroxysteroid
Hydroxysteroid
11-oxosteroid
Oxosteroid
7-hydroxysteroid
Steroid
Medium-chain hydroxy acid
Medium-chain fatty acid
Hydroxy fatty acid
Cyclohexenone
Fatty acid
Unsaturated fatty acid
Fatty acyl
Cyclic alcohol
Ketone
Secondary alcohol
Cyclic ketone
Carboxylic acid
Carboxylic acid derivative
Monocarboxylic acid or derivatives
Carbonyl group
Alcohol
Organic oxide
Hydrocarbon derivative
Organic oxygen compound
Organooxygen compound
Aliphatic homopolycyclic compound

Molecular Framework

Aliphatic homopolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Route of exposure

Enteral

Ingestion (HMDB: HMDB0036306)

Source

Exogenous

Food

Food (HMDB: HMDB0036306)

Vegetable

Mushroom

Exogenous (HMDB: HMDB0036306)

Endogenous

Plant

Plant (HMDB: HMDB0036306)

Animal

Animal (HMDB: HMDB0036306)

Endogenous (HMDB: HMDB0036306)

Process

Naturally occurring process

Biological process

Chemical reaction

Lipid Peroxidation (HMDB: HMDB0036306)

Biochemical pathway

Metabolic pathway

Fatty Acid Metabolism (HMDB: HMDB0036306)

Lipid metabolism pathway (HMDB: HMDB0036306)

Cellular process

Cell signaling (HMDB: HMDB0036306)

Biochemical process

Lipid transport (HMDB: HMDB0036306)

Role

Biological role

Energy source (HMDB: HMDB0036306)

Industrial application

Manufacturing industry

Material processing agent

Fluid processing agent

Surfactant

Surfactant (HMDB: HMDB0036306)

Physical Properties

State

Solid

Experimental Molecular Properties

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

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	0.016 g/L	ALOGPS
logP	3.27	ALOGPS
logP	3.1	ChemAxon
logS	-4.5	ALOGPS
pKa (Strongest Acidic)	4.52	ChemAxon
pKa (Strongest Basic)	-2.9	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	132.13 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	140.68 m³·mol⁻¹	ChemAxon
Polarizability	57.26 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	220.725	31661259
DarkChem	[M-H]-	211.044	31661259
DeepCCS	[M-2H]-	254.629	30932474
DeepCCS	[M+Na]+	229.921	30932474
AllCCS	[M+H]+	222.1	32859911
AllCCS	[M+H-H2O]+	220.6	32859911
AllCCS	[M+NH4]+	223.4	32859911
AllCCS	[M+Na]+	223.8	32859911
AllCCS	[M-H]-	223.1	32859911
AllCCS	[M+Na-2H]-	225.9	32859911
AllCCS	[M+HCOO]-	229.1	32859911

Predicted Retention Times

Underivatized

Chromatographic Method	Retention Time	Reference
Measured using a Waters Acquity ultraperformance liquid chromatography (UPLC) ethylene-bridged hybrid (BEH) C18 column (100 mm × 2.1 mm; 1.7 μmparticle diameter). Predicted by Afia on May 17, 2022. Predicted by Afia on May 17, 2022.	7.03 minutes	32390414
Predicted by Siyang on May 30, 2022	13.373 minutes	33406817
Predicted by Siyang using ReTip algorithm on June 8, 2022	3.24 minutes	32390414
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid	2951.2 seconds	40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid	164.5 seconds	40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid	196.9 seconds	40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid	160.2 seconds	40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	131.8 seconds	40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid	505.1 seconds	40023050
BfG_NTS_RP1 =Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) with Water:ACN and 0.1% Formic Acid	580.9 seconds	40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)	93.5 seconds	40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid	985.9 seconds	40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid	570.4 seconds	40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid	1526.1 seconds	40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	306.0 seconds	40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	441.7 seconds	40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate	225.4 seconds	40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA	182.0 seconds	40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water	37.6 seconds	40023050

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Ganoderic acid delta	CC(CC(O)\C=C(/C)C(O)=O)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O	4800.2	Standard polar	33892256
Ganoderic acid delta	CC(CC(O)\C=C(/C)C(O)=O)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O	3461.4	Standard non polar	33892256
Ganoderic acid delta	CC(CC(O)\C=C(/C)C(O)=O)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O	4267.6	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Ganoderic acid delta,1TMS,isomer #1	C/C(=C\C(CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O	4292.1	Semi standard non polar	33892256
Ganoderic acid delta,1TMS,isomer #2	C/C(=C\C(O)CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O)C(=O)O[Si](C)(C)C	4198.8	Semi standard non polar	33892256
Ganoderic acid delta,1TMS,isomer #3	C/C(=C\C(O)CC(C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O)C(=O)O	4242.1	Semi standard non polar	33892256
Ganoderic acid delta,1TMS,isomer #4	C/C(=C\C(O)CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C)C(=O)O	4267.2	Semi standard non polar	33892256
Ganoderic acid delta,1TMS,isomer #5	C/C(=C\C(O)CC(C)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O)C(=O)O	4139.8	Semi standard non polar	33892256
Ganoderic acid delta,1TMS,isomer #6	C/C(=C\C(O)CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O)C(=O)O	4169.9	Semi standard non polar	33892256
Ganoderic acid delta,2TMS,isomer #1	C/C(=C\C(CC(C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O	4179.1	Semi standard non polar	33892256
Ganoderic acid delta,2TMS,isomer #10	C/C(=C\C(O)CC(C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C)C(=O)O	4134.3	Semi standard non polar	33892256
Ganoderic acid delta,2TMS,isomer #11	C/C(=C\C(O)CC(C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O)C(=O)O	4012.4	Semi standard non polar	33892256
Ganoderic acid delta,2TMS,isomer #12	C/C(=C\C(O)CC(C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O)C(=O)O	4014.7	Semi standard non polar	33892256
Ganoderic acid delta,2TMS,isomer #13	C/C(=C\C(O)CC(C)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C)C(=O)O	4002.4	Semi standard non polar	33892256
Ganoderic acid delta,2TMS,isomer #14	C/C(=C\C(O)CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)C(=O)O	4048.6	Semi standard non polar	33892256
Ganoderic acid delta,2TMS,isomer #15	C/C(=C\C(O)CC(C)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O)C(=O)O	3941.0	Semi standard non polar	33892256
Ganoderic acid delta,2TMS,isomer #2	C/C(=C\C(CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	4211.7	Semi standard non polar	33892256
Ganoderic acid delta,2TMS,isomer #3	C/C(=C\C(CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4200.1	Semi standard non polar	33892256
Ganoderic acid delta,2TMS,isomer #4	C/C(=C\C(CC(C)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O	4049.1	Semi standard non polar	33892256
Ganoderic acid delta,2TMS,isomer #5	C/C(=C\C(CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O	4094.9	Semi standard non polar	33892256
Ganoderic acid delta,2TMS,isomer #6	C/C(=C\C(O)CC(C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O)C(=O)O[Si](C)(C)C	4122.3	Semi standard non polar	33892256
Ganoderic acid delta,2TMS,isomer #7	C/C(=C\C(O)CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4159.1	Semi standard non polar	33892256
Ganoderic acid delta,2TMS,isomer #8	C/C(=C\C(O)CC(C)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O)C(=O)O[Si](C)(C)C	4014.9	Semi standard non polar	33892256
Ganoderic acid delta,2TMS,isomer #9	C/C(=C\C(O)CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O)C(=O)O[Si](C)(C)C	4061.1	Semi standard non polar	33892256
Ganoderic acid delta,3TMS,isomer #1	C/C(=C\C(CC(C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	3989.8	Semi standard non polar	33892256
Ganoderic acid delta,3TMS,isomer #10	C/C(=C\C(CC(C)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O	3813.3	Semi standard non polar	33892256
Ganoderic acid delta,3TMS,isomer #11	C/C(=C\C(O)CC(C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3976.0	Semi standard non polar	33892256
Ganoderic acid delta,3TMS,isomer #12	C/C(=C\C(O)CC(C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O)C(=O)O[Si](C)(C)C	3870.9	Semi standard non polar	33892256
Ganoderic acid delta,3TMS,isomer #13	C/C(=C\C(O)CC(C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O)C(=O)O[Si](C)(C)C	3855.7	Semi standard non polar	33892256
Ganoderic acid delta,3TMS,isomer #14	C/C(=C\C(O)CC(C)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3873.3	Semi standard non polar	33892256
Ganoderic acid delta,3TMS,isomer #15	C/C(=C\C(O)CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3898.4	Semi standard non polar	33892256
Ganoderic acid delta,3TMS,isomer #16	C/C(=C\C(O)CC(C)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O)C(=O)O[Si](C)(C)C	3815.0	Semi standard non polar	33892256
Ganoderic acid delta,3TMS,isomer #17	C/C(=C\C(O)CC(C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C)C(=O)O	3860.5	Semi standard non polar	33892256
Ganoderic acid delta,3TMS,isomer #18	C/C(=C\C(O)CC(C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)C(=O)O	3850.4	Semi standard non polar	33892256
Ganoderic acid delta,3TMS,isomer #19	C/C(=C\C(O)CC(C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O)C(=O)O	3784.6	Semi standard non polar	33892256
Ganoderic acid delta,3TMS,isomer #2	C/C(=C\C(CC(C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4007.2	Semi standard non polar	33892256
Ganoderic acid delta,3TMS,isomer #20	C/C(=C\C(O)CC(C)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)C(=O)O	3801.7	Semi standard non polar	33892256
Ganoderic acid delta,3TMS,isomer #3	C/C(=C\C(CC(C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O	3878.5	Semi standard non polar	33892256
Ganoderic acid delta,3TMS,isomer #4	C/C(=C\C(CC(C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O	3862.1	Semi standard non polar	33892256
Ganoderic acid delta,3TMS,isomer #5	C/C(=C\C(CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4046.6	Semi standard non polar	33892256
Ganoderic acid delta,3TMS,isomer #6	C/C(=C\C(CC(C)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	3876.0	Semi standard non polar	33892256
Ganoderic acid delta,3TMS,isomer #7	C/C(=C\C(CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	3897.7	Semi standard non polar	33892256
Ganoderic acid delta,3TMS,isomer #8	C/C(=C\C(CC(C)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3908.7	Semi standard non polar	33892256
Ganoderic acid delta,3TMS,isomer #9	C/C(=C\C(CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3950.4	Semi standard non polar	33892256
Ganoderic acid delta,4TMS,isomer #1	C/C(=C\C(CC(C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3837.2	Semi standard non polar	33892256
Ganoderic acid delta,4TMS,isomer #10	C/C(=C\C(CC(C)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3715.0	Semi standard non polar	33892256
Ganoderic acid delta,4TMS,isomer #11	C/C(=C\C(O)CC(C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3762.3	Semi standard non polar	33892256
Ganoderic acid delta,4TMS,isomer #12	C/C(=C\C(O)CC(C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3724.3	Semi standard non polar	33892256
Ganoderic acid delta,4TMS,isomer #13	C/C(=C\C(O)CC(C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O)C(=O)O[Si](C)(C)C	3688.1	Semi standard non polar	33892256
Ganoderic acid delta,4TMS,isomer #14	C/C(=C\C(O)CC(C)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3712.5	Semi standard non polar	33892256
Ganoderic acid delta,4TMS,isomer #15	C/C(=C\C(O)CC(C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)C(=O)O	3699.4	Semi standard non polar	33892256
Ganoderic acid delta,4TMS,isomer #2	C/C(=C\C(CC(C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	3766.1	Semi standard non polar	33892256
Ganoderic acid delta,4TMS,isomer #3	C/C(=C\C(CC(C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	3709.6	Semi standard non polar	33892256
Ganoderic acid delta,4TMS,isomer #4	C/C(=C\C(CC(C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3768.6	Semi standard non polar	33892256
Ganoderic acid delta,4TMS,isomer #5	C/C(=C\C(CC(C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3722.5	Semi standard non polar	33892256
Ganoderic acid delta,4TMS,isomer #6	C/C(=C\C(CC(C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O	3678.0	Semi standard non polar	33892256
Ganoderic acid delta,4TMS,isomer #7	C/C(=C\C(CC(C)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3768.4	Semi standard non polar	33892256
Ganoderic acid delta,4TMS,isomer #8	C/C(=C\C(CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3756.7	Semi standard non polar	33892256
Ganoderic acid delta,4TMS,isomer #9	C/C(=C\C(CC(C)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	3703.9	Semi standard non polar	33892256
Ganoderic acid delta,5TMS,isomer #1	C/C(=C\C(CC(C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3666.5	Semi standard non polar	33892256
Ganoderic acid delta,5TMS,isomer #1	C/C(=C\C(CC(C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3900.1	Standard non polar	33892256
Ganoderic acid delta,5TMS,isomer #2	C/C(=C\C(CC(C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3609.9	Semi standard non polar	33892256
Ganoderic acid delta,5TMS,isomer #2	C/C(=C\C(CC(C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3796.5	Standard non polar	33892256
Ganoderic acid delta,5TMS,isomer #3	C/C(=C\C(CC(C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	3604.5	Semi standard non polar	33892256
Ganoderic acid delta,5TMS,isomer #3	C/C(=C\C(CC(C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	3732.4	Standard non polar	33892256
Ganoderic acid delta,5TMS,isomer #4	C/C(=C\C(CC(C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3583.3	Semi standard non polar	33892256
Ganoderic acid delta,5TMS,isomer #4	C/C(=C\C(CC(C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3762.1	Standard non polar	33892256
Ganoderic acid delta,5TMS,isomer #5	C/C(=C\C(CC(C)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3603.8	Semi standard non polar	33892256
Ganoderic acid delta,5TMS,isomer #5	C/C(=C\C(CC(C)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3777.8	Standard non polar	33892256
Ganoderic acid delta,5TMS,isomer #6	C/C(=C\C(O)CC(C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3614.0	Semi standard non polar	33892256
Ganoderic acid delta,5TMS,isomer #6	C/C(=C\C(O)CC(C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3714.0	Standard non polar	33892256
Ganoderic acid delta,1TBDMS,isomer #1	C/C(=C\C(CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O)O[Si](C)(C)C(C)(C)C)C(=O)O	4539.7	Semi standard non polar	33892256
Ganoderic acid delta,1TBDMS,isomer #2	C/C(=C\C(O)CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O)C(=O)O[Si](C)(C)C(C)(C)C	4454.9	Semi standard non polar	33892256
Ganoderic acid delta,1TBDMS,isomer #3	C/C(=C\C(O)CC(C)C1CC(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O)C(=O)O	4486.1	Semi standard non polar	33892256
Ganoderic acid delta,1TBDMS,isomer #4	C/C(=C\C(O)CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C(C)(C)C)C(=O)O	4510.1	Semi standard non polar	33892256
Ganoderic acid delta,1TBDMS,isomer #5	C/C(=C\C(O)CC(C)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O)C(=O)O	4393.8	Semi standard non polar	33892256
Ganoderic acid delta,1TBDMS,isomer #6	C/C(=C\C(O)CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3O)C(=O)O	4415.3	Semi standard non polar	33892256
Ganoderic acid delta,2TBDMS,isomer #1	C/C(=C\C(CC(C)C1CC(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O)O[Si](C)(C)C(C)(C)C)C(=O)O	4670.7	Semi standard non polar	33892256
Ganoderic acid delta,2TBDMS,isomer #10	C/C(=C\C(O)CC(C)C1CC(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C(C)(C)C)C(=O)O	4621.8	Semi standard non polar	33892256
Ganoderic acid delta,2TBDMS,isomer #11	C/C(=C\C(O)CC(C)C1CC(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O)C(=O)O	4494.5	Semi standard non polar	33892256
Ganoderic acid delta,2TBDMS,isomer #12	C/C(=C\C(O)CC(C)C1CC(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3O)C(=O)O	4509.0	Semi standard non polar	33892256
Ganoderic acid delta,2TBDMS,isomer #13	C/C(=C\C(O)CC(C)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C(C)(C)C)C(=O)O	4484.4	Semi standard non polar	33892256
Ganoderic acid delta,2TBDMS,isomer #14	C/C(=C\C(O)CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C(C)(C)C)C(=O)O	4544.6	Semi standard non polar	33892256
Ganoderic acid delta,2TBDMS,isomer #15	C/C(=C\C(O)CC(C)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=CC12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3O)C(=O)O	4405.6	Semi standard non polar	33892256
Ganoderic acid delta,2TBDMS,isomer #2	C/C(=C\C(CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	4678.9	Semi standard non polar	33892256
Ganoderic acid delta,2TBDMS,isomer #3	C/C(=C\C(CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4702.7	Semi standard non polar	33892256
Ganoderic acid delta,2TBDMS,isomer #4	C/C(=C\C(CC(C)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O)O[Si](C)(C)C(C)(C)C)C(=O)O	4527.4	Semi standard non polar	33892256
Ganoderic acid delta,2TBDMS,isomer #5	C/C(=C\C(CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C(C)(C)C)C(=O)O	4589.6	Semi standard non polar	33892256
Ganoderic acid delta,2TBDMS,isomer #6	C/C(=C\C(O)CC(C)C1CC(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O)C(=O)O[Si](C)(C)C(C)(C)C	4615.4	Semi standard non polar	33892256
Ganoderic acid delta,2TBDMS,isomer #7	C/C(=C\C(O)CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4633.0	Semi standard non polar	33892256
Ganoderic acid delta,2TBDMS,isomer #8	C/C(=C\C(O)CC(C)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O)C(=O)O[Si](C)(C)C(C)(C)C	4489.9	Semi standard non polar	33892256
Ganoderic acid delta,2TBDMS,isomer #9	C/C(=C\C(O)CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3O)C(=O)O[Si](C)(C)C(C)(C)C	4552.9	Semi standard non polar	33892256
Ganoderic acid delta,3TBDMS,isomer #1	C/C(=C\C(CC(C)C1CC(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	4691.1	Semi standard non polar	33892256
Ganoderic acid delta,3TBDMS,isomer #10	C/C(=C\C(CC(C)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=CC12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C(C)(C)C)C(=O)O	4474.5	Semi standard non polar	33892256
Ganoderic acid delta,3TBDMS,isomer #11	C/C(=C\C(O)CC(C)C1CC(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4679.8	Semi standard non polar	33892256
Ganoderic acid delta,3TBDMS,isomer #12	C/C(=C\C(O)CC(C)C1CC(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O)C(=O)O[Si](C)(C)C(C)(C)C	4546.3	Semi standard non polar	33892256
Ganoderic acid delta,3TBDMS,isomer #13	C/C(=C\C(O)CC(C)C1CC(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3O)C(=O)O[Si](C)(C)C(C)(C)C	4566.4	Semi standard non polar	33892256
Ganoderic acid delta,3TBDMS,isomer #14	C/C(=C\C(O)CC(C)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4542.5	Semi standard non polar	33892256
Ganoderic acid delta,3TBDMS,isomer #15	C/C(=C\C(O)CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4587.5	Semi standard non polar	33892256
Ganoderic acid delta,3TBDMS,isomer #16	C/C(=C\C(O)CC(C)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=CC12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3O)C(=O)O[Si](C)(C)C(C)(C)C	4442.8	Semi standard non polar	33892256
Ganoderic acid delta,3TBDMS,isomer #17	C/C(=C\C(O)CC(C)C1CC(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C(C)(C)C)C(=O)O	4555.8	Semi standard non polar	33892256
Ganoderic acid delta,3TBDMS,isomer #18	C/C(=C\C(O)CC(C)C1CC(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C(C)(C)C)C(=O)O	4563.8	Semi standard non polar	33892256
Ganoderic acid delta,3TBDMS,isomer #19	C/C(=C\C(O)CC(C)C1CC(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=CC12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3O)C(=O)O	4443.0	Semi standard non polar	33892256
Ganoderic acid delta,3TBDMS,isomer #2	C/C(=C\C(CC(C)C1CC(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4743.1	Semi standard non polar	33892256
Ganoderic acid delta,3TBDMS,isomer #20	C/C(=C\C(O)CC(C)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=CC12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C(C)(C)C)C(=O)O	4461.3	Semi standard non polar	33892256
Ganoderic acid delta,3TBDMS,isomer #3	C/C(=C\C(CC(C)C1CC(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O)O[Si](C)(C)C(C)(C)C)C(=O)O	4572.9	Semi standard non polar	33892256
Ganoderic acid delta,3TBDMS,isomer #4	C/C(=C\C(CC(C)C1CC(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C(C)(C)C)C(=O)O	4587.9	Semi standard non polar	33892256
Ganoderic acid delta,3TBDMS,isomer #5	C/C(=C\C(CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4743.9	Semi standard non polar	33892256
Ganoderic acid delta,3TBDMS,isomer #6	C/C(=C\C(CC(C)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	4564.4	Semi standard non polar	33892256
Ganoderic acid delta,3TBDMS,isomer #7	C/C(=C\C(CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	4599.7	Semi standard non polar	33892256
Ganoderic acid delta,3TBDMS,isomer #8	C/C(=C\C(CC(C)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4607.8	Semi standard non polar	33892256
Ganoderic acid delta,3TBDMS,isomer #9	C/C(=C\C(CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4664.8	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Ganoderic acid delta GC-MS (Non-derivatized) - 70eV, Positive	splash10-00dj-0125920000-56ce74044f43756df6e9	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ganoderic acid delta GC-MS (2 TMS) - 70eV, Positive	splash10-0002-1210219000-a9d3ca84a6f1358ecb2b	2017-10-06	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ganoderic acid delta 10V, Positive-QTOF	splash10-001j-0000910000-5a4da39b5a6a85aa5322	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ganoderic acid delta 20V, Positive-QTOF	splash10-0fh9-2000900000-9afa8f3947a679d9bf6e	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ganoderic acid delta 40V, Positive-QTOF	splash10-0ugi-1102900000-88e68243a71603ee2cef	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ganoderic acid delta 10V, Negative-QTOF	splash10-014j-1000980000-397a963e0a457b8680d1	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ganoderic acid delta 20V, Negative-QTOF	splash10-0v4j-2000910000-fa008150f11068dcb4be	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ganoderic acid delta 40V, Negative-QTOF	splash10-0avi-9011700000-6bb6303e15316e65a6c7	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ganoderic acid delta 10V, Positive-QTOF	splash10-00lj-0408920000-1044b2df28df5310eff1	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ganoderic acid delta 20V, Positive-QTOF	splash10-00kr-4809610000-9278a449b28d8b75a82f	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ganoderic acid delta 40V, Positive-QTOF	splash10-000i-5209200000-a2172f397711a0c820b5	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ganoderic acid delta 10V, Negative-QTOF	splash10-014i-0000390000-7725b4dc90e6812daa49	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ganoderic acid delta 20V, Negative-QTOF	splash10-0uk9-1001910000-9ed4496d2e17787c87da	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ganoderic acid delta 40V, Negative-QTOF	splash10-0udr-2002900000-068bcdca76aa826590c0	2021-09-22	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Extracellular

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB015174

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

131751950

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

rw1854461

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

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

Showing metabocard for Ganoderic acid delta (HMDB0036306)

MOL for HMDB0036306 (Ganoderic acid delta)

3D MOL for HMDB0036306 (Ganoderic acid delta)

3D SDF for HMDB0036306 (Ganoderic acid delta)

3D-SDF for HMDB0036306 (Ganoderic acid delta)

PDB for HMDB0036306 (Ganoderic acid delta)

3D PDB for HMDB0036306 (Ganoderic acid delta)

SMILES for HMDB0036306 (Ganoderic acid delta)

INCHI for HMDB0036306 (Ganoderic acid delta)

Structure for HMDB0036306 (Ganoderic acid delta)

3D Structure for HMDB0036306 (Ganoderic acid delta)

Predicted Collision Cross Sections

Predicted Retention Times

Underivatized

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra