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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 20:55:43 UTC

Update Date

2022-03-07 02:54:41 UTC

HMDB ID

HMDB0035885

Secondary Accession Numbers

HMDB35885

Metabolite Identification

Common Name

Ganoderic acid L

Description

Ganoderic acid L, also known as ganoderate L, 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 Ganoderic acid L.

Structure

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


  Mrv0541 05061308462D          

 38 41  0  0  0  0            999 V2000
   -0.4374   -2.6263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7119    3.0734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7094    2.7131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6232    0.6018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2252    0.1702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4481   -0.4245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9451    2.5190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2475    0.8922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4354    0.7470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5655   -1.7493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6520    2.7844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5867    1.7614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3701   -0.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9990    0.3114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2547   -2.5135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0592   -1.0980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8399    2.6391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8111    0.4566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1838    2.1537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3574    0.9689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5278    1.6682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0962    2.2244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0914    1.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5596    1.8632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7610   -3.1648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9960    2.2989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9035    1.3777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4672    0.9421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8637    0.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7475    1.7180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2419   -1.2108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3081    3.2699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3429   -0.1741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3399    1.8134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1230    3.0489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4501   -3.9290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5783   -3.0519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5151    0.8239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  9  8  1  0  0  0  0
 15  1  1  0  0  0  0
 15 10  1  0  0  0  0
 16 10  1  0  0  0  0
 16 13  1  0  0  0  0
 17 11  1  0  0  0  0
 18 14  1  0  0  0  0
 19 11  1  0  0  0  0
 20 12  1  0  0  0  0
 21  8  1  0  0  0  0
 22 12  1  0  0  0  0
 23 18  1  0  0  0  0
 24 17  1  0  0  0  0
 24 23  2  0  0  0  0
 25 15  1  0  0  0  0
 26  2  1  0  0  0  0
 26  3  1  0  0  0  0
 26 19  1  0  0  0  0
 26 21  1  0  0  0  0
 27  4  1  0  0  0  0
 27  9  1  0  0  0  0
 27 19  1  0  0  0  0
 27 23  1  0  0  0  0
 28  5  1  0  0  0  0
 28 14  1  0  0  0  0
 28 20  1  0  0  0  0
 29  6  1  0  0  0  0
 29 13  1  0  0  0  0
 29 20  1  0  0  0  0
 30  7  1  0  0  0  0
 30 22  1  0  0  0  0
 30 24  1  0  0  0  0
 30 28  1  0  0  0  0
 31 16  2  0  0  0  0
 32 17  1  0  0  0  0
 33 18  2  0  0  0  0
 34 21  1  0  0  0  0
 35 22  1  0  0  0  0
 36 25  2  0  0  0  0
 37 25  1  0  0  0  0
 38 29  1  0  0  0  0
M  END

HMDB0035885
     RDKit          3D
Ganoderic acid L
 84 87  0  0  0  0  0  0  0  0999 V2000
    7.4294   -1.3268   -0.0931 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9265   -0.2501    0.8253 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5778   -0.6785   -0.7786 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1539   -0.7678   -1.3322 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9801   -2.3365   -1.3702 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1458   -0.3628   -2.6109 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1284   -0.2872   -0.3881 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2439    1.1355    0.1093 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8963    1.1712    0.9288 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7049    2.4295    1.4297 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0192    0.7998   -0.2259 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0666    1.9094   -1.2579 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.0254    0.0176   -1.0242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1900   -0.2454   -2.1927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6604   -0.1392   -3.3434 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.9984    0.7345    1.3526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0484   -0.3498    2.2165 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0707    0.2377    1.6409 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2115   -0.2589    1.4818 O   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  1  0
  4  5  2  0
  4  6  1  0
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 31 78  1  0
 32 79  1  0
 33 80  1  0
 33 81  1  0
 34 82  1  0
 35 83  1  0
 38 84  1  0
M  END


  Mrv0541 05061308462D          

 38 41  0  0  0  0            999 V2000
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    0.7475    1.7180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2419   -1.2108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3081    3.2699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3429   -0.1741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3399    1.8134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1230    3.0489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4501   -3.9290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5783   -3.0519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5151    0.8239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  9  8  1  0  0  0  0
 15  1  1  0  0  0  0
 15 10  1  0  0  0  0
 16 10  1  0  0  0  0
 16 13  1  0  0  0  0
 17 11  1  0  0  0  0
 18 14  1  0  0  0  0
 19 11  1  0  0  0  0
 20 12  1  0  0  0  0
 21  8  1  0  0  0  0
 22 12  1  0  0  0  0
 23 18  1  0  0  0  0
 24 17  1  0  0  0  0
 24 23  2  0  0  0  0
 25 15  1  0  0  0  0
 26  2  1  0  0  0  0
 26  3  1  0  0  0  0
 26 19  1  0  0  0  0
 26 21  1  0  0  0  0
 27  4  1  0  0  0  0
 27  9  1  0  0  0  0
 27 19  1  0  0  0  0
 27 23  1  0  0  0  0
 28  5  1  0  0  0  0
 28 14  1  0  0  0  0
 28 20  1  0  0  0  0
 29  6  1  0  0  0  0
 29 13  1  0  0  0  0
 29 20  1  0  0  0  0
 30  7  1  0  0  0  0
 30 22  1  0  0  0  0
 30 24  1  0  0  0  0
 30 28  1  0  0  0  0
 31 16  2  0  0  0  0
 32 17  1  0  0  0  0
 33 18  2  0  0  0  0
 34 21  1  0  0  0  0
 35 22  1  0  0  0  0
 36 25  2  0  0  0  0
 37 25  1  0  0  0  0
 38 29  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0035885

> <DATABASE_NAME>
hmdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C30H46O8/c1-15(25(36)37)10-16(31)13-29(6,38)20-12-22(35)30(7)24-17(32)11-19-26(2,3)21(34)8-9-27(19,4)23(24)18(33)14-28(20,30)5/h15,17,19-22,32,34-35,38H,8-14H2,1-7H3,(H,36,37)

> <INCHI_KEY>
RZBILUATLYXZLI-UHFFFAOYSA-N

> <FORMULA>
C30H46O8

> <MOLECULAR_WEIGHT>
534.6814

> <EXACT_MASS>
534.319268448

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_AVERAGE_POLARIZABILITY>
58.5956276697233

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
2.25

> <JCHEM_LOGP>
1.5805544336666675

> <ALOGPS_LOGS>
-3.72

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
14.091618784402176

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.246695945446805

> <JCHEM_PKA_STRONGEST_BASIC>
-0.8070089922110596

> <JCHEM_POLAR_SURFACE_AREA>
152.35999999999999

> <JCHEM_REFRACTIVITY>
141.27970000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.02e-01 g/l

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

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0035885
     RDKit          3D
Ganoderic acid L
 84 87  0  0  0  0  0  0  0  0999 V2000
    7.4294   -1.3268   -0.0931 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9265   -0.2501    0.8253 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3235    0.9308    0.1610 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1295    0.6590   -0.6836 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6939    1.6578   -1.2576 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5778   -0.6785   -0.7786 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1539   -0.7678   -1.3322 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9801   -2.3365   -1.3702 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1458   -0.3628   -2.6109 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1284   -0.2872   -0.3881 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2439    1.1355    0.1093 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8963    1.1712    0.9288 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7049    2.4295    1.4297 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0192    0.7998   -0.2259 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0666    1.9094   -1.2579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3712    0.5049    0.0637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0254    0.0176   -1.0242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1900   -0.2454   -2.1927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6604   -0.1392   -3.3434 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2526   -0.6516   -2.1086 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6881   -0.4730   -0.7124 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1671   -1.6998    0.0528 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4794   -0.2262   -1.0316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7146   -1.6239   -1.5619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1161    0.8231   -1.9137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6070    0.8600   -1.8050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1066    1.0115   -0.4065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7852    2.2723    0.0567 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5165   -0.0834    0.4417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2412   -1.3570    0.1496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8546    0.2862    1.8946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0251   -0.1704    0.3734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4673    1.0700    1.0386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9984    0.7345    1.3526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0484   -0.3498    2.2165 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0707    0.2377    1.6409 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2115   -0.2589    1.4818 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9324    1.2321    2.5839 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8202   -2.2484   -0.0040 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660   -1.6732    0.2187 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5830   -0.9903   -1.1417 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2016   -0.6708    1.5759 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1143    1.4472   -0.4202 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0091    1.6416    0.9522 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6518   -1.2590    0.1755 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2505   -1.2536   -1.4884 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9825   -2.8094   -1.5190 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2522   -2.6387   -2.0944 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6842   -2.5984   -0.3471 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3556   -1.0597   -3.2922 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3210   -0.8785    0.5708 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1949    1.9094   -0.6461 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0536    1.3141    0.8140 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9820    0.3550    1.6355 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7049    2.3928    2.4296 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7820    1.7767   -2.0583 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3587    2.8378   -0.7121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9683    2.1373   -1.6313 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7639   -0.0362   -2.8741 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2145   -1.7323   -2.4275 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7853   -1.9005    0.9373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9033   -1.7038    0.2103 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3508   -2.5699   -0.6537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7236   -1.7854   -1.9513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4278   -2.3341   -0.7404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0182   -1.8718   -2.3954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8626    0.6447   -2.9743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7074    1.8048   -1.6413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0666   -0.0244   -2.3334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9570    1.7427   -2.3880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2050    0.8620   -0.4171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4813    2.8724   -0.6776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7844   -1.2784   -0.8382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6230   -2.2647    0.2188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0815   -1.5351    0.8863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1719   -0.2042    2.6072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9577    1.3761    2.0241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8769   -0.1321    2.1356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6991   -1.0479    0.9323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4309    1.9440    0.3751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9236    1.2931    2.0098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6243    1.6391    1.8817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8547   -0.1475    3.1462 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9321    2.2027    2.2335 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
  7 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 17 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  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  1  0
  2 36  1  0
 36 37  2  0
 36 38  1  0
 21 10  1  0
 32 23  1  0
 21 14  1  0
 34 16  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
  8 47  1  0
  8 48  1  0
  8 49  1  0
  9 50  1  0
 10 51  1  0
 11 52  1  0
 11 53  1  0
 12 54  1  0
 13 55  1  0
 15 56  1  0
 15 57  1  0
 15 58  1  0
 20 59  1  0
 20 60  1  0
 22 61  1  0
 22 62  1  0
 22 63  1  0
 24 64  1  0
 24 65  1  0
 24 66  1  0
 25 67  1  0
 25 68  1  0
 26 69  1  0
 26 70  1  0
 27 71  1  0
 28 72  1  0
 30 73  1  0
 30 74  1  0
 30 75  1  0
 31 76  1  0
 31 77  1  0
 31 78  1  0
 32 79  1  0
 33 80  1  0
 33 81  1  0
 34 82  1  0
 35 83  1  0
 38 84  1  0
M  END

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0      -0.816  -4.902   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       6.929   5.737   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       8.791   5.064   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.897   1.123   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.420   0.318   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -0.836  -0.792   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.764   4.702   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       7.929   1.665   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       6.413   1.394   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -2.922  -3.265   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       4.950   5.198   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -1.095   3.288   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -2.558  -0.623   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.865   0.581   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -2.342  -4.692   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -1.977  -2.050   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       3.434   4.926   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       3.381   0.852   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       5.943   4.020   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -0.667   1.809   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       8.452   3.114   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       0.180   4.152   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       3.904   2.301   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       2.911   3.478   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -3.287  -5.908   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       7.459   4.291   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       5.420   2.572   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       0.872   1.759   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -1.612   0.593   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       1.395   3.207   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      -0.452  -2.260   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0       2.442   6.104   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0       4.373  -0.325   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0       9.968   3.385   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0       0.230   5.691   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0      -2.707  -7.334   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0      -4.813  -5.697   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0      -2.828   1.538   0.000  0.00  0.00           O+0
CONECT    1   15                                                            
CONECT    2   26                                                            
CONECT    3   26                                                            
CONECT    4   27                                                            
CONECT    5   28                                                            
CONECT    6   29                                                            
CONECT    7   30                                                            
CONECT    8    9   21                                                       
CONECT    9    8   27                                                       
CONECT   10   15   16                                                       
CONECT   11   17   19                                                       
CONECT   12   20   22                                                       
CONECT   13   16   29                                                       
CONECT   14   18   28                                                       
CONECT   15    1   10   25                                                  
CONECT   16   10   13   31                                                  
CONECT   17   11   24   32                                                  
CONECT   18   14   23   33                                                  
CONECT   19   11   26   27                                                  
CONECT   20   12   28   29                                                  
CONECT   21    8   26   34                                                  
CONECT   22   12   30   35                                                  
CONECT   23   18   24   27                                                  
CONECT   24   17   23   30                                                  
CONECT   25   15   36   37                                                  
CONECT   26    2    3   19   21                                             
CONECT   27    4    9   19   23                                             
CONECT   28    5   14   20   30                                             
CONECT   29    6   13   20   38                                             
CONECT   30    7   22   24   28                                             
CONECT   31   16                                                            
CONECT   32   17                                                            
CONECT   33   18                                                            
CONECT   34   21                                                            
CONECT   35   22                                                            
CONECT   36   25                                                            
CONECT   37   25                                                            
CONECT   38   29                                                            
MASTER        0    0    0    0    0    0    0    0   38    0   82    0
END

COMPND    HMDB0035885
HETATM    1  C1  UNL     1       7.429  -1.327  -0.093  1.00  0.00           C  
HETATM    2  C2  UNL     1       6.926  -0.250   0.825  1.00  0.00           C  
HETATM    3  C3  UNL     1       6.323   0.931   0.161  1.00  0.00           C  
HETATM    4  C4  UNL     1       5.130   0.659  -0.684  1.00  0.00           C  
HETATM    5  O1  UNL     1       4.694   1.658  -1.258  1.00  0.00           O  
HETATM    6  C5  UNL     1       4.578  -0.678  -0.779  1.00  0.00           C  
HETATM    7  C6  UNL     1       3.154  -0.768  -1.332  1.00  0.00           C  
HETATM    8  C7  UNL     1       2.980  -2.336  -1.370  1.00  0.00           C  
HETATM    9  O2  UNL     1       3.146  -0.363  -2.611  1.00  0.00           O  
HETATM   10  C8  UNL     1       2.128  -0.287  -0.388  1.00  0.00           C  
HETATM   11  C9  UNL     1       2.244   1.136   0.109  1.00  0.00           C  
HETATM   12  C10 UNL     1       0.896   1.171   0.929  1.00  0.00           C  
HETATM   13  O3  UNL     1       0.705   2.429   1.430  1.00  0.00           O  
HETATM   14  C11 UNL     1       0.019   0.800  -0.226  1.00  0.00           C  
HETATM   15  C12 UNL     1       0.067   1.909  -1.258  1.00  0.00           C  
HETATM   16  C13 UNL     1      -1.371   0.505   0.064  1.00  0.00           C  
HETATM   17  C14 UNL     1      -2.025   0.018  -1.024  1.00  0.00           C  
HETATM   18  C15 UNL     1      -1.190  -0.245  -2.193  1.00  0.00           C  
HETATM   19  O4  UNL     1      -1.660  -0.139  -3.343  1.00  0.00           O  
HETATM   20  C16 UNL     1       0.253  -0.652  -2.109  1.00  0.00           C  
HETATM   21  C17 UNL     1       0.688  -0.473  -0.712  1.00  0.00           C  
HETATM   22  C18 UNL     1       0.167  -1.700   0.053  1.00  0.00           C  
HETATM   23  C19 UNL     1      -3.479  -0.226  -1.032  1.00  0.00           C  
HETATM   24  C20 UNL     1      -3.715  -1.624  -1.562  1.00  0.00           C  
HETATM   25  C21 UNL     1      -4.116   0.823  -1.914  1.00  0.00           C  
HETATM   26  C22 UNL     1      -5.607   0.860  -1.805  1.00  0.00           C  
HETATM   27  C23 UNL     1      -6.107   1.011  -0.407  1.00  0.00           C  
HETATM   28  O5  UNL     1      -5.785   2.272   0.057  1.00  0.00           O  
HETATM   29  C24 UNL     1      -5.517  -0.083   0.442  1.00  0.00           C  
HETATM   30  C25 UNL     1      -6.241  -1.357   0.150  1.00  0.00           C  
HETATM   31  C26 UNL     1      -5.855   0.286   1.895  1.00  0.00           C  
HETATM   32  C27 UNL     1      -4.025  -0.170   0.373  1.00  0.00           C  
HETATM   33  C28 UNL     1      -3.467   1.070   1.039  1.00  0.00           C  
HETATM   34  C29 UNL     1      -1.998   0.734   1.353  1.00  0.00           C  
HETATM   35  O6  UNL     1      -2.048  -0.350   2.217  1.00  0.00           O  
HETATM   36  C30 UNL     1       8.071   0.238   1.641  1.00  0.00           C  
HETATM   37  O7  UNL     1       9.212  -0.259   1.482  1.00  0.00           O  
HETATM   38  O8  UNL     1       7.932   1.232   2.584  1.00  0.00           O  
HETATM   39  H1  UNL     1       6.820  -2.248  -0.004  1.00  0.00           H  
HETATM   40  H2  UNL     1       8.466  -1.673   0.219  1.00  0.00           H  
HETATM   41  H3  UNL     1       7.583  -0.990  -1.142  1.00  0.00           H  
HETATM   42  H4  UNL     1       6.202  -0.671   1.576  1.00  0.00           H  
HETATM   43  H5  UNL     1       7.114   1.447  -0.420  1.00  0.00           H  
HETATM   44  H6  UNL     1       6.009   1.642   0.952  1.00  0.00           H  
HETATM   45  H7  UNL     1       4.652  -1.259   0.176  1.00  0.00           H  
HETATM   46  H8  UNL     1       5.251  -1.254  -1.488  1.00  0.00           H  
HETATM   47  H9  UNL     1       3.982  -2.809  -1.519  1.00  0.00           H  
HETATM   48  H10 UNL     1       2.252  -2.639  -2.094  1.00  0.00           H  
HETATM   49  H11 UNL     1       2.684  -2.598  -0.347  1.00  0.00           H  
HETATM   50  H12 UNL     1       3.356  -1.060  -3.292  1.00  0.00           H  
HETATM   51  H13 UNL     1       2.321  -0.878   0.571  1.00  0.00           H  
HETATM   52  H14 UNL     1       2.195   1.909  -0.646  1.00  0.00           H  
HETATM   53  H15 UNL     1       3.054   1.314   0.814  1.00  0.00           H  
HETATM   54  H16 UNL     1       0.982   0.355   1.635  1.00  0.00           H  
HETATM   55  H17 UNL     1       0.705   2.393   2.430  1.00  0.00           H  
HETATM   56  H18 UNL     1       0.782   1.777  -2.058  1.00  0.00           H  
HETATM   57  H19 UNL     1       0.359   2.838  -0.712  1.00  0.00           H  
HETATM   58  H20 UNL     1      -0.968   2.137  -1.631  1.00  0.00           H  
HETATM   59  H21 UNL     1       0.764  -0.036  -2.874  1.00  0.00           H  
HETATM   60  H22 UNL     1       0.214  -1.732  -2.428  1.00  0.00           H  
HETATM   61  H23 UNL     1       0.785  -1.901   0.937  1.00  0.00           H  
HETATM   62  H24 UNL     1      -0.903  -1.704   0.210  1.00  0.00           H  
HETATM   63  H25 UNL     1       0.351  -2.570  -0.654  1.00  0.00           H  
HETATM   64  H26 UNL     1      -4.724  -1.785  -1.951  1.00  0.00           H  
HETATM   65  H27 UNL     1      -3.428  -2.334  -0.740  1.00  0.00           H  
HETATM   66  H28 UNL     1      -3.018  -1.872  -2.395  1.00  0.00           H  
HETATM   67  H29 UNL     1      -3.863   0.645  -2.974  1.00  0.00           H  
HETATM   68  H30 UNL     1      -3.707   1.805  -1.641  1.00  0.00           H  
HETATM   69  H31 UNL     1      -6.067  -0.024  -2.333  1.00  0.00           H  
HETATM   70  H32 UNL     1      -5.957   1.743  -2.388  1.00  0.00           H  
HETATM   71  H33 UNL     1      -7.205   0.862  -0.417  1.00  0.00           H  
HETATM   72  H34 UNL     1      -5.481   2.872  -0.678  1.00  0.00           H  
HETATM   73  H35 UNL     1      -6.784  -1.278  -0.838  1.00  0.00           H  
HETATM   74  H36 UNL     1      -5.623  -2.265   0.219  1.00  0.00           H  
HETATM   75  H37 UNL     1      -7.081  -1.535   0.886  1.00  0.00           H  
HETATM   76  H38 UNL     1      -5.172  -0.204   2.607  1.00  0.00           H  
HETATM   77  H39 UNL     1      -5.958   1.376   2.024  1.00  0.00           H  
HETATM   78  H40 UNL     1      -6.877  -0.132   2.136  1.00  0.00           H  
HETATM   79  H41 UNL     1      -3.699  -1.048   0.932  1.00  0.00           H  
HETATM   80  H42 UNL     1      -3.431   1.944   0.375  1.00  0.00           H  
HETATM   81  H43 UNL     1      -3.924   1.293   2.010  1.00  0.00           H  
HETATM   82  H44 UNL     1      -1.624   1.639   1.882  1.00  0.00           H  
HETATM   83  H45 UNL     1      -1.855  -0.148   3.146  1.00  0.00           H  
HETATM   84  H46 UNL     1       7.932   2.203   2.234  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   10
CONECT    8   47   48   49
CONECT    9   50
CONECT   10   11   21   51
CONECT   11   12   52   53
CONECT   12   13   14   54
CONECT   13   55
CONECT   14   15   16   21
CONECT   15   56   57   58
CONECT   16   17   17   34
CONECT   17   18   23
CONECT   18   19   19   20
CONECT   20   21   59   60
CONECT   21   22
CONECT   22   61   62   63
CONECT   23   24   25   32
CONECT   24   64   65   66
CONECT   25   26   67   68
CONECT   26   27   69   70
CONECT   27   28   29   71
CONECT   28   72
CONECT   29   30   31   32
CONECT   30   73   74   75
CONECT   31   76   77   78
CONECT   32   33   79
CONECT   33   34   80   81
CONECT   34   35   82
CONECT   35   83
CONECT   36   37   37   38
CONECT   38   84
END

HMDB0035885
     RDKit          3D
Ganoderic acid L
 84 87  0  0  0  0  0  0  0  0999 V2000
    7.4294   -1.3268   -0.0931 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9265   -0.2501    0.8253 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3235    0.9308    0.1610 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1295    0.6590   -0.6836 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6939    1.6578   -1.2576 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5778   -0.6785   -0.7786 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1539   -0.7678   -1.3322 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9801   -2.3365   -1.3702 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1458   -0.3628   -2.6109 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1284   -0.2872   -0.3881 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2439    1.1355    0.1093 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8963    1.1712    0.9288 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7049    2.4295    1.4297 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0192    0.7998   -0.2259 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0666    1.9094   -1.2579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3712    0.5049    0.0637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0254    0.0176   -1.0242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1900   -0.2454   -2.1927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6604   -0.1392   -3.3434 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2526   -0.6516   -2.1086 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6881   -0.4730   -0.7124 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1671   -1.6998    0.0528 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4794   -0.2262   -1.0316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7146   -1.6239   -1.5619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1161    0.8231   -1.9137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6070    0.8600   -1.8050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1066    1.0115   -0.4065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7852    2.2723    0.0567 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5165   -0.0834    0.4417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2412   -1.3570    0.1496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8546    0.2862    1.8946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0251   -0.1704    0.3734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4673    1.0700    1.0386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9984    0.7345    1.3526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0484   -0.3498    2.2165 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0707    0.2377    1.6409 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2115   -0.2589    1.4818 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9324    1.2321    2.5839 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8202   -2.2484   -0.0040 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660   -1.6732    0.2187 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5830   -0.9903   -1.1417 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2016   -0.6708    1.5759 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1143    1.4472   -0.4202 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0091    1.6416    0.9522 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6518   -1.2590    0.1755 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2505   -1.2536   -1.4884 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9825   -2.8094   -1.5190 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2522   -2.6387   -2.0944 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6842   -2.5984   -0.3471 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3556   -1.0597   -3.2922 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3210   -0.8785    0.5708 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1949    1.9094   -0.6461 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0536    1.3141    0.8140 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9820    0.3550    1.6355 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7049    2.3928    2.4296 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7820    1.7767   -2.0583 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3587    2.8378   -0.7121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9683    2.1373   -1.6313 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7639   -0.0362   -2.8741 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2145   -1.7323   -2.4275 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7853   -1.9005    0.9373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9033   -1.7038    0.2103 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3508   -2.5699   -0.6537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7236   -1.7854   -1.9513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4278   -2.3341   -0.7404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0182   -1.8718   -2.3954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8626    0.6447   -2.9743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7074    1.8048   -1.6413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0666   -0.0244   -2.3334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9570    1.7427   -2.3880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2050    0.8620   -0.4171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4813    2.8724   -0.6776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7844   -1.2784   -0.8382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6230   -2.2647    0.2188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0815   -1.5351    0.8863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1719   -0.2042    2.6072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9577    1.3761    2.0241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8769   -0.1321    2.1356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6991   -1.0479    0.9323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4309    1.9440    0.3751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9236    1.2931    2.0098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6243    1.6391    1.8817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8547   -0.1475    3.1462 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9321    2.2027    2.2335 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
  7 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 17 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  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  1  0
  2 36  1  0
 36 37  2  0
 36 38  1  0
 21 10  1  0
 32 23  1  0
 21 14  1  0
 34 16  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
  8 47  1  0
  8 48  1  0
  8 49  1  0
  9 50  1  0
 10 51  1  0
 11 52  1  0
 11 53  1  0
 12 54  1  0
 13 55  1  0
 15 56  1  0
 15 57  1  0
 15 58  1  0
 20 59  1  0
 20 60  1  0
 22 61  1  0
 22 62  1  0
 22 63  1  0
 24 64  1  0
 24 65  1  0
 24 66  1  0
 25 67  1  0
 25 68  1  0
 26 69  1  0
 26 70  1  0
 27 71  1  0
 28 72  1  0
 30 73  1  0
 30 74  1  0
 30 75  1  0
 31 76  1  0
 31 77  1  0
 31 78  1  0
 32 79  1  0
 33 80  1  0
 33 81  1  0
 34 82  1  0
 35 83  1  0
 38 84  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
Ganoderate L	Generator
3beta,7beta,15alpha,20-Tetrahydroxy-11,23-dioxo-5alpha-lanost-8-en-26-Oic acid	HMDB
6-Hydroxy-2-methyl-4-oxo-6-{5,9,12-trihydroxy-2,6,6,11,15-pentamethyl-17-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl}heptanoate	Generator

Chemical Formula

C₃₀H₄₆O₈

Average Molecular Weight

534.6814

Monoisotopic Molecular Weight

534.319268448

IUPAC Name

6-hydroxy-2-methyl-4-oxo-6-{5,9,12-trihydroxy-2,6,6,11,15-pentamethyl-17-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl}heptanoic acid

Traditional Name

6-hydroxy-2-methyl-4-oxo-6-{5,9,12-trihydroxy-2,6,6,11,15-pentamethyl-17-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl}heptanoic acid

CAS Registry Number

102607-24-9

SMILES

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

InChI Identifier

InChI=1S/C30H46O8/c1-15(25(36)37)10-16(31)13-29(6,38)20-12-22(35)30(7)24-17(32)11-19-26(2,3)21(34)8-9-27(19,4)23(24)18(33)14-28(20,30)5/h15,17,19-22,32,34-35,38H,8-14H2,1-7H3,(H,36,37)

InChI Key

RZBILUATLYXZLI-UHFFFAOYSA-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
Tetrahydroxy bile acid, alcohol, or derivatives
23-oxosteroid
Hydroxy bile acid, alcohol, or derivatives
Bile acid, alcohol, or derivatives
20-hydroxysteroid
Steroid acid
14-alpha-methylsteroid
7-hydroxysteroid
7-alpha-hydroxysteroid
3-beta-hydroxysteroid
Oxosteroid
11-oxosteroid
Hydroxysteroid
15-hydroxysteroid
3-hydroxysteroid
Steroid
Medium-chain keto acid
Gamma-keto acid
Cyclohexenone
Keto acid
Beta-hydroxy ketone
Tertiary alcohol
Cyclic alcohol
Secondary alcohol
Ketone
Polyol
Monocarboxylic acid or derivatives
Carboxylic acid
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Alcohol
Aliphatic homopolycyclic compound

Molecular Framework

Aliphatic homopolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cytoplasm (HMDB: HMDB0035885)
Cell membrane (HMDB: HMDB0035885)

Cellular substructure

Extracellular (HMDB: HMDB0035885)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0035885)

Source

Endogenous

Endogenous (HMDB: HMDB0035885)

Plant

Plant (HMDB: HMDB0035885)

Animal

Animal (HMDB: HMDB0035885)

Exogenous

Food

Food (HMDB: HMDB0035885)

Vegetable

Mushroom

Process

Naturally occurring process

Biological process

Chemical reaction

Lipid peroxidation (HMDB: HMDB0035885)

Biochemical process

Fatty acid metabolism (HMDB: HMDB0035885)

Cellular process

Cell signaling (HMDB: HMDB0035885)

Biochemical pathway

Lipid metabolism pathway (HMDB: HMDB0035885)

Role

Biological role

Membrane stabilizer (HMDB: HMDB0035885)

Nutrient

Nutrient (HMDB: HMDB0035885)

Industrial application

Manufacturing industry

Material processing agent

Fluid processing agent

Surfactant

Surfactant (HMDB: HMDB0035885)

Emulsifier (HMDB: HMDB0035885)

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	0.1 g/L	ALOGPS
logP	2.25	ALOGPS
logP	1.58	ChemAxon
logS	-3.7	ALOGPS
pKa (Strongest Acidic)	4.25	ChemAxon
pKa (Strongest Basic)	-0.81	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	152.36 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	141.28 m³·mol⁻¹	ChemAxon
Polarizability	58.6 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	Yes	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	221.812	31661259
DarkChem	[M-H]-	213.977	31661259
DeepCCS	[M-2H]-	254.811	30932474
DeepCCS	[M+Na]+	230.236	30932474
AllCCS	[M+H]+	223.3	32859911
AllCCS	[M+H-H2O]+	222.0	32859911
AllCCS	[M+NH4]+	224.5	32859911
AllCCS	[M+Na]+	224.8	32859911
AllCCS	[M-H]-	224.4	32859911
AllCCS	[M+Na-2H]-	227.5	32859911
AllCCS	[M+HCOO]-	231.0	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Ganoderic acid L	CC(CC(=O)CC(C)(O)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3O)C(O)=O	4547.3	Standard polar	33892256
Ganoderic acid L	CC(CC(=O)CC(C)(O)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3O)C(O)=O	3358.9	Standard non polar	33892256
Ganoderic acid L	CC(CC(=O)CC(C)(O)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3O)C(O)=O	4277.2	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Ganoderic acid L,1TMS,isomer #1	CC(CC(=O)CC(C)(O[Si](C)(C)C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3O)C(=O)O	4325.1	Semi standard non polar	33892256
Ganoderic acid L,1TMS,isomer #2	CC(CC(=O)CC(C)(O)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3O)C(=O)O	4313.2	Semi standard non polar	33892256
Ganoderic acid L,1TMS,isomer #3	CC(CC(=O)CC(C)(O)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(C)C1CC3O)C(=O)O	4361.2	Semi standard non polar	33892256
Ganoderic acid L,1TMS,isomer #4	CC(CC(=O)CC(C)(O)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3O[Si](C)(C)C)C(=O)O	4334.0	Semi standard non polar	33892256
Ganoderic acid L,1TMS,isomer #5	CC(CC(=O)CC(C)(O)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3O)C(=O)O[Si](C)(C)C	4349.4	Semi standard non polar	33892256
Ganoderic acid L,1TMS,isomer #6	CC(CC(=CC(C)(O)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	4311.5	Semi standard non polar	33892256
Ganoderic acid L,1TMS,isomer #7	CC(C=C(CC(C)(O)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	4364.4	Semi standard non polar	33892256
Ganoderic acid L,1TMS,isomer #8	CC(CC(=O)CC(C)(O)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(O)C(C)(C)C1CC3O)C(=O)O	4244.3	Semi standard non polar	33892256
Ganoderic acid L,2TMS,isomer #1	CC(CC(=O)CC(C)(O[Si](C)(C)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	4244.1	Semi standard non polar	33892256
Ganoderic acid L,2TMS,isomer #10	CC(CC(=O)CC(C)(O)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	4269.4	Semi standard non polar	33892256
Ganoderic acid L,2TMS,isomer #11	CC(CC(=CC(C)(O)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	4155.2	Semi standard non polar	33892256
Ganoderic acid L,2TMS,isomer #12	CC(C=C(CC(C)(O)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	4249.2	Semi standard non polar	33892256
Ganoderic acid L,2TMS,isomer #13	CC(CC(=O)CC(C)(O)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	4078.4	Semi standard non polar	33892256
Ganoderic acid L,2TMS,isomer #14	CC(CC(=O)CC(C)(O)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)C(=O)O	4244.6	Semi standard non polar	33892256
Ganoderic acid L,2TMS,isomer #15	CC(CC(=O)CC(C)(O)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(C)C1CC3O)C(=O)O[Si](C)(C)C	4332.0	Semi standard non polar	33892256
Ganoderic acid L,2TMS,isomer #16	CC(CC(=CC(C)(O)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O	4222.2	Semi standard non polar	33892256
Ganoderic acid L,2TMS,isomer #17	CC(C=C(CC(C)(O)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O	4312.9	Semi standard non polar	33892256
Ganoderic acid L,2TMS,isomer #18	CC(CC(=O)CC(C)(O)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(C)C1CC3O)C(=O)O	4102.4	Semi standard non polar	33892256
Ganoderic acid L,2TMS,isomer #19	CC(CC(=O)CC(C)(O)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	4290.4	Semi standard non polar	33892256
Ganoderic acid L,2TMS,isomer #2	CC(CC(=O)CC(C)(O[Si](C)(C)C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(C)C1CC3O)C(=O)O	4255.5	Semi standard non polar	33892256
Ganoderic acid L,2TMS,isomer #20	CC(CC(=CC(C)(O)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	4165.6	Semi standard non polar	33892256
Ganoderic acid L,2TMS,isomer #21	CC(C=C(CC(C)(O)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	4262.8	Semi standard non polar	33892256
Ganoderic acid L,2TMS,isomer #22	CC(CC(=O)CC(C)(O)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	4065.0	Semi standard non polar	33892256
Ganoderic acid L,2TMS,isomer #23	CC(CC(=CC(C)(O)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	4251.3	Semi standard non polar	33892256
Ganoderic acid L,2TMS,isomer #24	CC(C=C(CC(C)(O)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	4321.1	Semi standard non polar	33892256
Ganoderic acid L,2TMS,isomer #25	CC(CC(=O)CC(C)(O)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	4159.0	Semi standard non polar	33892256
Ganoderic acid L,2TMS,isomer #26	CC(CC(=CC(C)(O)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	4093.0	Semi standard non polar	33892256
Ganoderic acid L,2TMS,isomer #27	CC(C=C(CC(C)(O)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	4171.8	Semi standard non polar	33892256
Ganoderic acid L,2TMS,isomer #3	CC(CC(=O)CC(C)(O[Si](C)(C)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	4225.0	Semi standard non polar	33892256
Ganoderic acid L,2TMS,isomer #4	CC(CC(=O)CC(C)(O[Si](C)(C)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	4298.8	Semi standard non polar	33892256
Ganoderic acid L,2TMS,isomer #5	CC(CC(=CC(C)(O[Si](C)(C)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	4251.4	Semi standard non polar	33892256
Ganoderic acid L,2TMS,isomer #6	CC(C=C(CC(C)(O[Si](C)(C)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	4283.6	Semi standard non polar	33892256
Ganoderic acid L,2TMS,isomer #7	CC(CC(=O)CC(C)(O[Si](C)(C)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	4101.5	Semi standard non polar	33892256
Ganoderic acid L,2TMS,isomer #8	CC(CC(=O)CC(C)(O)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(C)C1CC3O)C(=O)O	4207.7	Semi standard non polar	33892256
Ganoderic acid L,2TMS,isomer #9	CC(CC(=O)CC(C)(O)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	4192.4	Semi standard non polar	33892256
Ganoderic acid L,3TMS,isomer #1	CC(CC(=O)CC(C)(O[Si](C)(C)C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(C)C1CC3O)C(=O)O	4067.2	Semi standard non polar	33892256
Ganoderic acid L,3TMS,isomer #10	CC(C=C(CC(C)(O[Si](C)(C)C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O	4117.8	Semi standard non polar	33892256
Ganoderic acid L,3TMS,isomer #11	CC(CC(=O)CC(C)(O[Si](C)(C)C)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(C)C1CC3O)C(=O)O	3938.5	Semi standard non polar	33892256
Ganoderic acid L,3TMS,isomer #12	CC(CC(=O)CC(C)(O[Si](C)(C)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	4130.8	Semi standard non polar	33892256
Ganoderic acid L,3TMS,isomer #13	CC(CC(=CC(C)(O[Si](C)(C)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	4038.8	Semi standard non polar	33892256
Ganoderic acid L,3TMS,isomer #14	CC(C=C(CC(C)(O[Si](C)(C)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	4078.6	Semi standard non polar	33892256
Ganoderic acid L,3TMS,isomer #15	CC(CC(=O)CC(C)(O[Si](C)(C)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	3903.6	Semi standard non polar	33892256
Ganoderic acid L,3TMS,isomer #16	CC(CC(=CC(C)(O[Si](C)(C)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	4138.8	Semi standard non polar	33892256
Ganoderic acid L,3TMS,isomer #17	CC(C=C(CC(C)(O[Si](C)(C)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	4165.5	Semi standard non polar	33892256
Ganoderic acid L,3TMS,isomer #18	CC(CC(=O)CC(C)(O[Si](C)(C)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	3997.8	Semi standard non polar	33892256
Ganoderic acid L,3TMS,isomer #19	CC(CC(=CC(C)(O[Si](C)(C)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	3967.3	Semi standard non polar	33892256
Ganoderic acid L,3TMS,isomer #2	CC(CC(=O)CC(C)(O[Si](C)(C)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	4046.1	Semi standard non polar	33892256
Ganoderic acid L,3TMS,isomer #20	CC(C=C(CC(C)(O[Si](C)(C)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	3991.0	Semi standard non polar	33892256
Ganoderic acid L,3TMS,isomer #21	CC(CC(=O)CC(C)(O)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)C(=O)O	4013.0	Semi standard non polar	33892256
Ganoderic acid L,3TMS,isomer #22	CC(CC(=O)CC(C)(O)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(C)C1CC3O)C(=O)O[Si](C)(C)C	4112.4	Semi standard non polar	33892256
Ganoderic acid L,3TMS,isomer #23	CC(CC(=CC(C)(O)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O	3962.3	Semi standard non polar	33892256
Ganoderic acid L,3TMS,isomer #24	CC(C=C(CC(C)(O)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O	4066.8	Semi standard non polar	33892256
Ganoderic acid L,3TMS,isomer #25	CC(CC(=O)CC(C)(O)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(C)C1CC3O)C(=O)O	3905.5	Semi standard non polar	33892256
Ganoderic acid L,3TMS,isomer #26	CC(CC(=O)CC(C)(O)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	4077.5	Semi standard non polar	33892256
Ganoderic acid L,3TMS,isomer #27	CC(CC(=CC(C)(O)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	3935.7	Semi standard non polar	33892256
Ganoderic acid L,3TMS,isomer #28	CC(C=C(CC(C)(O)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	4032.6	Semi standard non polar	33892256
Ganoderic acid L,3TMS,isomer #29	CC(CC(=O)CC(C)(O)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	3880.9	Semi standard non polar	33892256
Ganoderic acid L,3TMS,isomer #3	CC(CC(=O)CC(C)(O[Si](C)(C)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	4158.7	Semi standard non polar	33892256
Ganoderic acid L,3TMS,isomer #30	CC(CC(=CC(C)(O)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	4031.2	Semi standard non polar	33892256
Ganoderic acid L,3TMS,isomer #31	CC(C=C(CC(C)(O)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	4111.4	Semi standard non polar	33892256
Ganoderic acid L,3TMS,isomer #32	CC(CC(=O)CC(C)(O)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	3963.5	Semi standard non polar	33892256
Ganoderic acid L,3TMS,isomer #33	CC(CC(=CC(C)(O)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	3887.1	Semi standard non polar	33892256
Ganoderic acid L,3TMS,isomer #34	CC(C=C(CC(C)(O)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	3961.7	Semi standard non polar	33892256
Ganoderic acid L,3TMS,isomer #35	CC(CC(=O)CC(C)(O)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4148.7	Semi standard non polar	33892256
Ganoderic acid L,3TMS,isomer #36	CC(CC(=CC(C)(O)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	4008.0	Semi standard non polar	33892256
Ganoderic acid L,3TMS,isomer #37	CC(C=C(CC(C)(O)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	4106.5	Semi standard non polar	33892256
Ganoderic acid L,3TMS,isomer #38	CC(CC(=O)CC(C)(O)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)C(=O)O	3914.3	Semi standard non polar	33892256
Ganoderic acid L,3TMS,isomer #39	CC(CC(=CC(C)(O)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4097.6	Semi standard non polar	33892256
Ganoderic acid L,3TMS,isomer #4	CC(CC(=CC(C)(O[Si](C)(C)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	4061.1	Semi standard non polar	33892256
Ganoderic acid L,3TMS,isomer #40	CC(C=C(CC(C)(O)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4194.3	Semi standard non polar	33892256
Ganoderic acid L,3TMS,isomer #41	CC(CC(=O)CC(C)(O)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(C)C1CC3O)C(=O)O[Si](C)(C)C	4002.0	Semi standard non polar	33892256
Ganoderic acid L,3TMS,isomer #42	CC(CC(=CC(C)(O)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O	3919.2	Semi standard non polar	33892256
Ganoderic acid L,3TMS,isomer #43	CC(C=C(CC(C)(O)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O	4000.2	Semi standard non polar	33892256
Ganoderic acid L,3TMS,isomer #44	CC(CC(=CC(C)(O)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	4041.3	Semi standard non polar	33892256
Ganoderic acid L,3TMS,isomer #45	CC(C=C(CC(C)(O)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	4129.3	Semi standard non polar	33892256
Ganoderic acid L,3TMS,isomer #46	CC(CC(=O)CC(C)(O)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	3952.7	Semi standard non polar	33892256
Ganoderic acid L,3TMS,isomer #47	CC(CC(=CC(C)(O)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	3886.0	Semi standard non polar	33892256
Ganoderic acid L,3TMS,isomer #48	CC(C=C(CC(C)(O)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	3958.5	Semi standard non polar	33892256
Ganoderic acid L,3TMS,isomer #49	CC(CC(=CC(C)(O)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	3964.6	Semi standard non polar	33892256
Ganoderic acid L,3TMS,isomer #5	CC(C=C(CC(C)(O[Si](C)(C)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	4099.8	Semi standard non polar	33892256
Ganoderic acid L,3TMS,isomer #50	CC(C=C(CC(C)(O)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	4034.5	Semi standard non polar	33892256
Ganoderic acid L,3TMS,isomer #6	CC(CC(=O)CC(C)(O[Si](C)(C)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	3929.9	Semi standard non polar	33892256
Ganoderic acid L,3TMS,isomer #7	CC(CC(=O)CC(C)(O[Si](C)(C)C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)C(=O)O	4070.8	Semi standard non polar	33892256
Ganoderic acid L,3TMS,isomer #8	CC(CC(=O)CC(C)(O[Si](C)(C)C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(C)C1CC3O)C(=O)O[Si](C)(C)C	4185.6	Semi standard non polar	33892256
Ganoderic acid L,3TMS,isomer #9	CC(CC(=CC(C)(O[Si](C)(C)C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O	4082.9	Semi standard non polar	33892256
Ganoderic acid L,4TMS,isomer #1	CC(CC(=O)CC(C)(O[Si](C)(C)C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)C(=O)O	3926.4	Semi standard non polar	33892256
Ganoderic acid L,4TMS,isomer #10	CC(CC(=CC(C)(O[Si](C)(C)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	3936.5	Semi standard non polar	33892256
Ganoderic acid L,4TMS,isomer #11	CC(C=C(CC(C)(O[Si](C)(C)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	3984.4	Semi standard non polar	33892256
Ganoderic acid L,4TMS,isomer #12	CC(CC(=O)CC(C)(O[Si](C)(C)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	3858.6	Semi standard non polar	33892256
Ganoderic acid L,4TMS,isomer #13	CC(CC(=CC(C)(O[Si](C)(C)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	3823.7	Semi standard non polar	33892256
Ganoderic acid L,4TMS,isomer #14	CC(C=C(CC(C)(O[Si](C)(C)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	3851.0	Semi standard non polar	33892256
Ganoderic acid L,4TMS,isomer #15	CC(CC(=O)CC(C)(O[Si](C)(C)C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4003.7	Semi standard non polar	33892256
Ganoderic acid L,4TMS,isomer #16	CC(CC(=CC(C)(O[Si](C)(C)C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	3902.8	Semi standard non polar	33892256
Ganoderic acid L,4TMS,isomer #17	CC(C=C(CC(C)(O[Si](C)(C)C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	3959.3	Semi standard non polar	33892256
Ganoderic acid L,4TMS,isomer #18	CC(CC(=O)CC(C)(O[Si](C)(C)C)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)C(=O)O	3838.9	Semi standard non polar	33892256
Ganoderic acid L,4TMS,isomer #19	CC(CC(=CC(C)(O[Si](C)(C)C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3968.7	Semi standard non polar	33892256
Ganoderic acid L,4TMS,isomer #2	CC(CC(=O)CC(C)(O[Si](C)(C)C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(C)C1CC3O)C(=O)O[Si](C)(C)C	4006.9	Semi standard non polar	33892256
Ganoderic acid L,4TMS,isomer #20	CC(C=C(CC(C)(O[Si](C)(C)C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4015.0	Semi standard non polar	33892256
Ganoderic acid L,4TMS,isomer #21	CC(CC(=O)CC(C)(O[Si](C)(C)C)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(C)C1CC3O)C(=O)O[Si](C)(C)C	3881.5	Semi standard non polar	33892256
Ganoderic acid L,4TMS,isomer #22	CC(CC(=CC(C)(O[Si](C)(C)C)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O	3839.8	Semi standard non polar	33892256
Ganoderic acid L,4TMS,isomer #23	CC(C=C(CC(C)(O[Si](C)(C)C)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O	3871.7	Semi standard non polar	33892256
Ganoderic acid L,4TMS,isomer #24	CC(CC(=CC(C)(O[Si](C)(C)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	3929.4	Semi standard non polar	33892256
Ganoderic acid L,4TMS,isomer #25	CC(C=C(CC(C)(O[Si](C)(C)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	3977.8	Semi standard non polar	33892256
Ganoderic acid L,4TMS,isomer #26	CC(CC(=O)CC(C)(O[Si](C)(C)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	3843.3	Semi standard non polar	33892256
Ganoderic acid L,4TMS,isomer #27	CC(CC(=CC(C)(O[Si](C)(C)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	3814.4	Semi standard non polar	33892256
Ganoderic acid L,4TMS,isomer #28	CC(C=C(CC(C)(O[Si](C)(C)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	3843.0	Semi standard non polar	33892256
Ganoderic acid L,4TMS,isomer #29	CC(CC(=CC(C)(O[Si](C)(C)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	3865.6	Semi standard non polar	33892256
Ganoderic acid L,4TMS,isomer #3	CC(CC(=CC(C)(O[Si](C)(C)C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O	3887.8	Semi standard non polar	33892256
Ganoderic acid L,4TMS,isomer #30	CC(C=C(CC(C)(O[Si](C)(C)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	3892.9	Semi standard non polar	33892256
Ganoderic acid L,4TMS,isomer #31	CC(CC(=O)CC(C)(O)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3929.4	Semi standard non polar	33892256
Ganoderic acid L,4TMS,isomer #32	CC(CC(=CC(C)(O)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	3818.4	Semi standard non polar	33892256
Ganoderic acid L,4TMS,isomer #33	CC(C=C(CC(C)(O)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	3906.3	Semi standard non polar	33892256
Ganoderic acid L,4TMS,isomer #34	CC(CC(=O)CC(C)(O)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)C(=O)O	3798.1	Semi standard non polar	33892256
Ganoderic acid L,4TMS,isomer #35	CC(CC(=CC(C)(O)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3852.6	Semi standard non polar	33892256
Ganoderic acid L,4TMS,isomer #36	CC(C=C(CC(C)(O)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3934.6	Semi standard non polar	33892256
Ganoderic acid L,4TMS,isomer #37	CC(CC(=O)CC(C)(O)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(C)C1CC3O)C(=O)O[Si](C)(C)C	3829.2	Semi standard non polar	33892256
Ganoderic acid L,4TMS,isomer #38	CC(CC(=CC(C)(O)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O	3773.4	Semi standard non polar	33892256
Ganoderic acid L,4TMS,isomer #39	CC(C=C(CC(C)(O)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O	3832.0	Semi standard non polar	33892256
Ganoderic acid L,4TMS,isomer #4	CC(C=C(CC(C)(O[Si](C)(C)C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O	3949.2	Semi standard non polar	33892256
Ganoderic acid L,4TMS,isomer #40	CC(CC(=CC(C)(O)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	3846.5	Semi standard non polar	33892256
Ganoderic acid L,4TMS,isomer #41	CC(C=C(CC(C)(O)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	3921.8	Semi standard non polar	33892256
Ganoderic acid L,4TMS,isomer #42	CC(CC(=O)CC(C)(O)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	3810.8	Semi standard non polar	33892256
Ganoderic acid L,4TMS,isomer #43	CC(CC(=CC(C)(O)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	3764.8	Semi standard non polar	33892256
Ganoderic acid L,4TMS,isomer #44	CC(C=C(CC(C)(O)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	3820.2	Semi standard non polar	33892256
Ganoderic acid L,4TMS,isomer #45	CC(CC(=CC(C)(O)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	3793.3	Semi standard non polar	33892256
Ganoderic acid L,4TMS,isomer #46	CC(C=C(CC(C)(O)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	3853.6	Semi standard non polar	33892256
Ganoderic acid L,4TMS,isomer #47	CC(CC(=CC(C)(O)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(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	3898.1	Semi standard non polar	33892256
Ganoderic acid L,4TMS,isomer #48	CC(C=C(CC(C)(O)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(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	3982.0	Semi standard non polar	33892256
Ganoderic acid L,4TMS,isomer #49	CC(CC(=O)CC(C)(O)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3840.7	Semi standard non polar	33892256
Ganoderic acid L,4TMS,isomer #5	CC(CC(=O)CC(C)(O[Si](C)(C)C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(C)C1CC3O)C(=O)O	3830.8	Semi standard non polar	33892256
Ganoderic acid L,4TMS,isomer #50	CC(CC(=CC(C)(O)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	3791.5	Semi standard non polar	33892256
Ganoderic acid L,4TMS,isomer #51	CC(C=C(CC(C)(O)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	3851.7	Semi standard non polar	33892256
Ganoderic acid L,4TMS,isomer #52	CC(CC(=CC(C)(O)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3816.7	Semi standard non polar	33892256
Ganoderic acid L,4TMS,isomer #53	CC(C=C(CC(C)(O)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3891.7	Semi standard non polar	33892256
Ganoderic acid L,4TMS,isomer #54	CC(CC(=CC(C)(O)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	3794.4	Semi standard non polar	33892256
Ganoderic acid L,4TMS,isomer #55	CC(C=C(CC(C)(O)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	3853.4	Semi standard non polar	33892256
Ganoderic acid L,4TMS,isomer #6	CC(CC(=O)CC(C)(O[Si](C)(C)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	3971.7	Semi standard non polar	33892256
Ganoderic acid L,4TMS,isomer #7	CC(CC(=CC(C)(O[Si](C)(C)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	3876.1	Semi standard non polar	33892256
Ganoderic acid L,4TMS,isomer #8	CC(C=C(CC(C)(O[Si](C)(C)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	3934.1	Semi standard non polar	33892256
Ganoderic acid L,4TMS,isomer #9	CC(CC(=O)CC(C)(O[Si](C)(C)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	3812.0	Semi standard non polar	33892256
Ganoderic acid L,5TMS,isomer #1	CC(CC(=O)CC(C)(O[Si](C)(C)C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3866.8	Semi standard non polar	33892256
Ganoderic acid L,5TMS,isomer #10	CC(CC(=CC(C)(O[Si](C)(C)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	3796.9	Semi standard non polar	33892256
Ganoderic acid L,5TMS,isomer #11	CC(C=C(CC(C)(O[Si](C)(C)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	3842.9	Semi standard non polar	33892256
Ganoderic acid L,5TMS,isomer #12	CC(CC(=O)CC(C)(O[Si](C)(C)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	3766.3	Semi standard non polar	33892256
Ganoderic acid L,5TMS,isomer #13	CC(CC(=CC(C)(O[Si](C)(C)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	3728.9	Semi standard non polar	33892256
Ganoderic acid L,5TMS,isomer #14	CC(C=C(CC(C)(O[Si](C)(C)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	3767.9	Semi standard non polar	33892256
Ganoderic acid L,5TMS,isomer #15	CC(CC(=CC(C)(O[Si](C)(C)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	3755.6	Semi standard non polar	33892256
Ganoderic acid L,5TMS,isomer #16	CC(C=C(CC(C)(O[Si](C)(C)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	3784.5	Semi standard non polar	33892256
Ganoderic acid L,5TMS,isomer #17	CC(CC(=CC(C)(O[Si](C)(C)C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(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	3829.2	Semi standard non polar	33892256
Ganoderic acid L,5TMS,isomer #18	CC(C=C(CC(C)(O[Si](C)(C)C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(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	3879.0	Semi standard non polar	33892256
Ganoderic acid L,5TMS,isomer #19	CC(CC(=O)CC(C)(O[Si](C)(C)C)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3788.9	Semi standard non polar	33892256
Ganoderic acid L,5TMS,isomer #2	CC(CC(=CC(C)(O[Si](C)(C)C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	3794.4	Semi standard non polar	33892256
Ganoderic acid L,5TMS,isomer #20	CC(CC(=CC(C)(O[Si](C)(C)C)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	3741.3	Semi standard non polar	33892256
Ganoderic acid L,5TMS,isomer #21	CC(C=C(CC(C)(O[Si](C)(C)C)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	3788.5	Semi standard non polar	33892256
Ganoderic acid L,5TMS,isomer #22	CC(CC(=CC(C)(O[Si](C)(C)C)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3766.2	Semi standard non polar	33892256
Ganoderic acid L,5TMS,isomer #23	CC(C=C(CC(C)(O[Si](C)(C)C)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3797.1	Semi standard non polar	33892256
Ganoderic acid L,5TMS,isomer #24	CC(CC(=CC(C)(O[Si](C)(C)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	3743.5	Semi standard non polar	33892256
Ganoderic acid L,5TMS,isomer #25	CC(C=C(CC(C)(O[Si](C)(C)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	3773.0	Semi standard non polar	33892256
Ganoderic acid L,5TMS,isomer #26	CC(CC(=CC(C)(O)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(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	3754.6	Semi standard non polar	33892256
Ganoderic acid L,5TMS,isomer #27	CC(C=C(CC(C)(O)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(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	3807.5	Semi standard non polar	33892256
Ganoderic acid L,5TMS,isomer #28	CC(CC(=O)CC(C)(O)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3745.1	Semi standard non polar	33892256
Ganoderic acid L,5TMS,isomer #29	CC(CC(=CC(C)(O)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	3696.9	Semi standard non polar	33892256
Ganoderic acid L,5TMS,isomer #3	CC(C=C(CC(C)(O[Si](C)(C)C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	3850.6	Semi standard non polar	33892256
Ganoderic acid L,5TMS,isomer #30	CC(C=C(CC(C)(O)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	3754.8	Semi standard non polar	33892256
Ganoderic acid L,5TMS,isomer #31	CC(CC(=CC(C)(O)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3697.8	Semi standard non polar	33892256
Ganoderic acid L,5TMS,isomer #32	CC(C=C(CC(C)(O)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3745.2	Semi standard non polar	33892256
Ganoderic acid L,5TMS,isomer #33	CC(CC(=CC(C)(O)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	3695.1	Semi standard non polar	33892256
Ganoderic acid L,5TMS,isomer #34	CC(C=C(CC(C)(O)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	3743.8	Semi standard non polar	33892256
Ganoderic acid L,5TMS,isomer #35	CC(CC(=CC(C)(O)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(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	3709.9	Semi standard non polar	33892256
Ganoderic acid L,5TMS,isomer #36	CC(C=C(CC(C)(O)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(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	3765.9	Semi standard non polar	33892256
Ganoderic acid L,5TMS,isomer #4	CC(CC(=O)CC(C)(O[Si](C)(C)C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)C(=O)O	3761.4	Semi standard non polar	33892256
Ganoderic acid L,5TMS,isomer #5	CC(CC(=CC(C)(O[Si](C)(C)C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3813.4	Semi standard non polar	33892256
Ganoderic acid L,5TMS,isomer #6	CC(C=C(CC(C)(O[Si](C)(C)C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3859.2	Semi standard non polar	33892256
Ganoderic acid L,5TMS,isomer #7	CC(CC(=O)CC(C)(O[Si](C)(C)C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(C)C1CC3O)C(=O)O[Si](C)(C)C	3784.0	Semi standard non polar	33892256
Ganoderic acid L,5TMS,isomer #8	CC(CC(=CC(C)(O[Si](C)(C)C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O	3732.4	Semi standard non polar	33892256
Ganoderic acid L,5TMS,isomer #9	CC(C=C(CC(C)(O[Si](C)(C)C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O	3782.5	Semi standard non polar	33892256
Ganoderic acid L,1TBDMS,isomer #1	CC(CC(=O)CC(C)(O[Si](C)(C)C(C)(C)C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3O)C(=O)O	4558.1	Semi standard non polar	33892256
Ganoderic acid L,1TBDMS,isomer #2	CC(CC(=O)CC(C)(O)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	4546.0	Semi standard non polar	33892256
Ganoderic acid L,1TBDMS,isomer #3	CC(CC(=O)CC(C)(O)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3O)C(=O)O	4587.7	Semi standard non polar	33892256
Ganoderic acid L,1TBDMS,isomer #4	CC(CC(=O)CC(C)(O)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	4565.2	Semi standard non polar	33892256
Ganoderic acid L,1TBDMS,isomer #5	CC(CC(=O)CC(C)(O)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	4598.3	Semi standard non polar	33892256
Ganoderic acid L,1TBDMS,isomer #6	CC(CC(=CC(C)(O)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	4548.4	Semi standard non polar	33892256
Ganoderic acid L,1TBDMS,isomer #7	CC(C=C(CC(C)(O)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	4603.0	Semi standard non polar	33892256
Ganoderic acid L,1TBDMS,isomer #8	CC(CC(=O)CC(C)(O)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	4481.3	Semi standard non polar	33892256
Ganoderic acid L,2TBDMS,isomer #1	CC(CC(=O)CC(C)(O[Si](C)(C)C(C)(C)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	4707.6	Semi standard non polar	33892256
Ganoderic acid L,2TBDMS,isomer #10	CC(CC(=O)CC(C)(O)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	4743.4	Semi standard non polar	33892256
Ganoderic acid L,2TBDMS,isomer #11	CC(CC(=CC(C)(O)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	4622.7	Semi standard non polar	33892256
Ganoderic acid L,2TBDMS,isomer #12	CC(C=C(CC(C)(O)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	4723.5	Semi standard non polar	33892256
Ganoderic acid L,2TBDMS,isomer #13	CC(CC(=O)CC(C)(O)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	4534.6	Semi standard non polar	33892256
Ganoderic acid L,2TBDMS,isomer #14	CC(CC(=O)CC(C)(O)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C(C)(C)C)C(=O)O	4712.7	Semi standard non polar	33892256
Ganoderic acid L,2TBDMS,isomer #15	CC(CC(=O)CC(C)(O)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3O)C(=O)O[Si](C)(C)C(C)(C)C	4818.2	Semi standard non polar	33892256
Ganoderic acid L,2TBDMS,isomer #16	CC(CC(=CC(C)(O)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C(C)(C)C)C(=O)O	4696.3	Semi standard non polar	33892256
Ganoderic acid L,2TBDMS,isomer #17	CC(C=C(CC(C)(O)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C(C)(C)C)C(=O)O	4791.4	Semi standard non polar	33892256
Ganoderic acid L,2TBDMS,isomer #18	CC(CC(=O)CC(C)(O)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=CC12C)C1(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3O)C(=O)O	4569.3	Semi standard non polar	33892256
Ganoderic acid L,2TBDMS,isomer #19	CC(CC(=O)CC(C)(O)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	4755.4	Semi standard non polar	33892256
Ganoderic acid L,2TBDMS,isomer #2	CC(CC(=O)CC(C)(O[Si](C)(C)C(C)(C)C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3O)C(=O)O	4738.2	Semi standard non polar	33892256
Ganoderic acid L,2TBDMS,isomer #20	CC(CC(=CC(C)(O)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	4626.0	Semi standard non polar	33892256
Ganoderic acid L,2TBDMS,isomer #21	CC(C=C(CC(C)(O)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	4733.1	Semi standard non polar	33892256
Ganoderic acid L,2TBDMS,isomer #22	CC(CC(=O)CC(C)(O)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	4519.8	Semi standard non polar	33892256
Ganoderic acid L,2TBDMS,isomer #23	CC(CC(=CC(C)(O)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	4722.1	Semi standard non polar	33892256
Ganoderic acid L,2TBDMS,isomer #24	CC(C=C(CC(C)(O)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	4800.5	Semi standard non polar	33892256
Ganoderic acid L,2TBDMS,isomer #25	CC(CC(=O)CC(C)(O)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	4620.4	Semi standard non polar	33892256
Ganoderic acid L,2TBDMS,isomer #26	CC(CC(=CC(C)(O)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	4529.5	Semi standard non polar	33892256
Ganoderic acid L,2TBDMS,isomer #27	CC(C=C(CC(C)(O)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	4612.1	Semi standard non polar	33892256
Ganoderic acid L,2TBDMS,isomer #3	CC(CC(=O)CC(C)(O[Si](C)(C)C(C)(C)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	4692.5	Semi standard non polar	33892256
Ganoderic acid L,2TBDMS,isomer #4	CC(CC(=O)CC(C)(O[Si](C)(C)C(C)(C)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	4780.2	Semi standard non polar	33892256
Ganoderic acid L,2TBDMS,isomer #5	CC(CC(=CC(C)(O[Si](C)(C)C(C)(C)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	4715.8	Semi standard non polar	33892256
Ganoderic acid L,2TBDMS,isomer #6	CC(C=C(CC(C)(O[Si](C)(C)C(C)(C)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	4759.8	Semi standard non polar	33892256
Ganoderic acid L,2TBDMS,isomer #7	CC(CC(=O)CC(C)(O[Si](C)(C)C(C)(C)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	4586.9	Semi standard non polar	33892256
Ganoderic acid L,2TBDMS,isomer #8	CC(CC(=O)CC(C)(O)C1CC(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3O)C(=O)O	4681.1	Semi standard non polar	33892256
Ganoderic acid L,2TBDMS,isomer #9	CC(CC(=O)CC(C)(O)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	4645.8	Semi standard non polar	33892256
Ganoderic acid L,3TBDMS,isomer #1	CC(CC(=O)CC(C)(O[Si](C)(C)C(C)(C)C)C1CC(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3O)C(=O)O	4804.4	Semi standard non polar	33892256
Ganoderic acid L,3TBDMS,isomer #10	CC(C=C(CC(C)(O[Si](C)(C)C(C)(C)C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C(C)(C)C)C(=O)O	4854.2	Semi standard non polar	33892256
Ganoderic acid L,3TBDMS,isomer #11	CC(CC(=O)CC(C)(O[Si](C)(C)C(C)(C)C)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=CC12C)C1(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3O)C(=O)O	4651.4	Semi standard non polar	33892256
Ganoderic acid L,3TBDMS,isomer #12	CC(CC(=O)CC(C)(O[Si](C)(C)C(C)(C)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	4833.4	Semi standard non polar	33892256
Ganoderic acid L,3TBDMS,isomer #13	CC(CC(=CC(C)(O[Si](C)(C)C(C)(C)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	4745.0	Semi standard non polar	33892256
Ganoderic acid L,3TBDMS,isomer #14	CC(C=C(CC(C)(O[Si](C)(C)C(C)(C)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	4788.2	Semi standard non polar	33892256
Ganoderic acid L,3TBDMS,isomer #15	CC(CC(=O)CC(C)(O[Si](C)(C)C(C)(C)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	4611.4	Semi standard non polar	33892256
Ganoderic acid L,3TBDMS,isomer #16	CC(CC(=CC(C)(O[Si](C)(C)C(C)(C)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	4846.0	Semi standard non polar	33892256
Ganoderic acid L,3TBDMS,isomer #17	CC(C=C(CC(C)(O[Si](C)(C)C(C)(C)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	4884.2	Semi standard non polar	33892256
Ganoderic acid L,3TBDMS,isomer #18	CC(CC(=O)CC(C)(O[Si](C)(C)C(C)(C)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	4686.9	Semi standard non polar	33892256
Ganoderic acid L,3TBDMS,isomer #19	CC(CC(=CC(C)(O[Si](C)(C)C(C)(C)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	4632.4	Semi standard non polar	33892256
Ganoderic acid L,3TBDMS,isomer #2	CC(CC(=O)CC(C)(O[Si](C)(C)C(C)(C)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	4769.9	Semi standard non polar	33892256
Ganoderic acid L,3TBDMS,isomer #20	CC(C=C(CC(C)(O[Si](C)(C)C(C)(C)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	4665.4	Semi standard non polar	33892256
Ganoderic acid L,3TBDMS,isomer #21	CC(CC(=O)CC(C)(O)C1CC(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C(C)(C)C)C(=O)O	4724.7	Semi standard non polar	33892256
Ganoderic acid L,3TBDMS,isomer #22	CC(CC(=O)CC(C)(O)C1CC(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3O)C(=O)O[Si](C)(C)C(C)(C)C	4830.4	Semi standard non polar	33892256
Ganoderic acid L,3TBDMS,isomer #23	CC(CC(=CC(C)(O)C1CC(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C(C)(C)C)C(=O)O	4681.7	Semi standard non polar	33892256
Ganoderic acid L,3TBDMS,isomer #24	CC(C=C(CC(C)(O)C1CC(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C(C)(C)C)C(=O)O	4790.3	Semi standard non polar	33892256
Ganoderic acid L,3TBDMS,isomer #25	CC(CC(=O)CC(C)(O)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[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3O)C(=O)O	4581.2	Semi standard non polar	33892256
Ganoderic acid L,3TBDMS,isomer #26	CC(CC(=O)CC(C)(O)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	4758.5	Semi standard non polar	33892256
Ganoderic acid L,3TBDMS,isomer #27	CC(CC(=CC(C)(O)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	4632.1	Semi standard non polar	33892256
Ganoderic acid L,3TBDMS,isomer #28	CC(C=C(CC(C)(O)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	4727.2	Semi standard non polar	33892256
Ganoderic acid L,3TBDMS,isomer #29	CC(CC(=O)CC(C)(O)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	4543.6	Semi standard non polar	33892256
Ganoderic acid L,3TBDMS,isomer #3	CC(CC(=O)CC(C)(O[Si](C)(C)C(C)(C)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	4866.2	Semi standard non polar	33892256
Ganoderic acid L,3TBDMS,isomer #30	CC(CC(=CC(C)(O)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	4717.1	Semi standard non polar	33892256
Ganoderic acid L,3TBDMS,isomer #31	CC(C=C(CC(C)(O)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	4808.3	Semi standard non polar	33892256
Ganoderic acid L,3TBDMS,isomer #32	CC(CC(=O)CC(C)(O)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	4614.9	Semi standard non polar	33892256
Ganoderic acid L,3TBDMS,isomer #33	CC(CC(=CC(C)(O)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	4534.1	Semi standard non polar	33892256
Ganoderic acid L,3TBDMS,isomer #34	CC(C=C(CC(C)(O)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	4604.4	Semi standard non polar	33892256
Ganoderic acid L,3TBDMS,isomer #35	CC(CC(=O)CC(C)(O)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(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	4832.2	Semi standard non polar	33892256
Ganoderic acid L,3TBDMS,isomer #36	CC(CC(=CC(C)(O)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(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	4704.4	Semi standard non polar	33892256
Ganoderic acid L,3TBDMS,isomer #37	CC(C=C(CC(C)(O)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(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	4810.8	Semi standard non polar	33892256
Ganoderic acid L,3TBDMS,isomer #38	CC(CC(=O)CC(C)(O)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=CC12C)C1(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C(C)(C)C)C(=O)O	4586.0	Semi standard non polar	33892256
Ganoderic acid L,3TBDMS,isomer #39	CC(CC(=CC(C)(O)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(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	4801.9	Semi standard non polar	33892256
Ganoderic acid L,3TBDMS,isomer #4	CC(CC(=CC(C)(O[Si](C)(C)C(C)(C)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	4773.2	Semi standard non polar	33892256
Ganoderic acid L,3TBDMS,isomer #40	CC(C=C(CC(C)(O)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(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	4901.9	Semi standard non polar	33892256
Ganoderic acid L,3TBDMS,isomer #41	CC(CC(=O)CC(C)(O)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=CC12C)C1(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3O)C(=O)O[Si](C)(C)C(C)(C)C	4671.5	Semi standard non polar	33892256
Ganoderic acid L,3TBDMS,isomer #42	CC(CC(=CC(C)(O)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=CC12C)C1(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C(C)(C)C)C(=O)O	4568.8	Semi standard non polar	33892256
Ganoderic acid L,3TBDMS,isomer #43	CC(C=C(CC(C)(O)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=CC12C)C1(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C(C)(C)C)C(=O)O	4651.8	Semi standard non polar	33892256
Ganoderic acid L,3TBDMS,isomer #44	CC(CC(=CC(C)(O)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	4717.0	Semi standard non polar	33892256
Ganoderic acid L,3TBDMS,isomer #45	CC(C=C(CC(C)(O)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	4803.1	Semi standard non polar	33892256
Ganoderic acid L,3TBDMS,isomer #46	CC(CC(=O)CC(C)(O)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	4609.0	Semi standard non polar	33892256
Ganoderic acid L,3TBDMS,isomer #47	CC(CC(=CC(C)(O)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	4527.6	Semi standard non polar	33892256
Ganoderic acid L,3TBDMS,isomer #48	CC(C=C(CC(C)(O)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	4603.4	Semi standard non polar	33892256
Ganoderic acid L,3TBDMS,isomer #49	CC(CC(=CC(C)(O)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	4580.0	Semi standard non polar	33892256
Ganoderic acid L,3TBDMS,isomer #5	CC(C=C(CC(C)(O[Si](C)(C)C(C)(C)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	4814.6	Semi standard non polar	33892256
Ganoderic acid L,3TBDMS,isomer #50	CC(C=C(CC(C)(O)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	4654.1	Semi standard non polar	33892256
Ganoderic acid L,3TBDMS,isomer #6	CC(CC(=O)CC(C)(O[Si](C)(C)C(C)(C)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	4637.7	Semi standard non polar	33892256
Ganoderic acid L,3TBDMS,isomer #7	CC(CC(=O)CC(C)(O[Si](C)(C)C(C)(C)C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C(C)(C)C)C(=O)O	4801.7	Semi standard non polar	33892256
Ganoderic acid L,3TBDMS,isomer #8	CC(CC(=O)CC(C)(O[Si](C)(C)C(C)(C)C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3O)C(=O)O[Si](C)(C)C(C)(C)C	4917.4	Semi standard non polar	33892256
Ganoderic acid L,3TBDMS,isomer #9	CC(CC(=CC(C)(O[Si](C)(C)C(C)(C)C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C(C)(C)C)C(=O)O	4817.5	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Ganoderic acid L GC-MS (Non-derivatized) - 70eV, Positive	splash10-014v-3315960000-c23d22fc543937c646e0	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ganoderic acid L GC-MS (2 TMS) - 70eV, Positive	splash10-03dl-5110089000-d295aef67cd0e88d061e	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ganoderic acid L GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ganoderic acid L GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ganoderic acid L GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ganoderic acid L GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ganoderic acid L GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ganoderic acid L GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ganoderic acid L GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ganoderic acid L GC-MS (TMS_1_8) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ganoderic acid L GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ganoderic acid L GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ganoderic acid L GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ganoderic acid L GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ganoderic acid L GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ganoderic acid L GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ganoderic acid L GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ganoderic acid L GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ganoderic acid L GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ganoderic acid L GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ganoderic acid L GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ganoderic acid L GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ganoderic acid L GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ganoderic acid L GC-MS (TMS_2_15) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ganoderic acid L GC-MS (TMS_2_16) - 70eV, Positive	Not Available	2021-10-13	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 L 10V, Positive-QTOF	splash10-00kb-0000950000-ac37d99d8f463430f779	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ganoderic acid L 20V, Positive-QTOF	splash10-00kb-2001910000-3c040f2bc1355c2d4e18	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ganoderic acid L 40V, Positive-QTOF	splash10-01b9-9102800000-abdf53ad7bd35d465b36	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ganoderic acid L 10V, Negative-QTOF	splash10-00lr-0100390000-ac3d6fabe5896b158de8	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ganoderic acid L 20V, Negative-QTOF	splash10-00y0-6203960000-5eb59269003610efbc7e	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ganoderic acid L 40V, Negative-QTOF	splash10-0pvi-9102620000-3cf318f88863f81b6fbb	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ganoderic acid L 10V, Positive-QTOF	splash10-05tk-2500930000-dc3aacd54b3321873730	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ganoderic acid L 20V, Positive-QTOF	splash10-0pb9-7901200000-1a864d1d70ff992cb790	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ganoderic acid L 40V, Positive-QTOF	splash10-05mo-9101000000-01c9bc1bf99c1e2eddb7	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ganoderic acid L 10V, Negative-QTOF	splash10-001i-0000090000-95b1b2635971dd7f3201	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ganoderic acid L 20V, Negative-QTOF	splash10-00ei-1000910000-37cfde0aa65d1de4293a	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ganoderic acid L 40V, Negative-QTOF	splash10-000i-5003910000-830b127c01075cf663ea	2021-09-23	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

Not Available

KNApSAcK ID

C00023831

Chemspider ID

68026988

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

101600071

PDB ID

Not Available

ChEBI ID

168628

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

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

Showing metabocard for Ganoderic acid L (HMDB0035885)

MOL for HMDB0035885 (Ganoderic acid L)

3D MOL for HMDB0035885 (Ganoderic acid L)

3D SDF for HMDB0035885 (Ganoderic acid L)

3D-SDF for HMDB0035885 (Ganoderic acid L)

PDB for HMDB0035885 (Ganoderic acid L)

3D PDB for HMDB0035885 (Ganoderic acid L)

SMILES for HMDB0035885 (Ganoderic acid L)

INCHI for HMDB0035885 (Ganoderic acid L)

Structure for HMDB0035885 (Ganoderic acid L)

3D Structure for HMDB0035885 (Ganoderic acid L)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra