Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 01:32:12 UTC
Update Date2022-12-15 22:51:44 UTC
Metabolite IDMMDBc0008807
Metabolite Identification
Common NameGanoderenic acid A
DescriptionCHEMBL1922171 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 CHEMBL1922171.
Structure
Synonyms
ValueSource
Ganoderenic acid aMeSH
Ganoderenate aGenerator
Molecular FormulaC30H42O7
Average Mass514.659
Monoisotopic Mass514.293053692
IUPAC Name(5E)-6-[(2S,7R,9S,11R,12S,14R,15R)-9,12-dihydroxy-2,6,6,11,15-pentamethyl-5,17-dioxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-14-yl]-2-methyl-4-oxohept-5-enoic acid
Traditional Name(5E)-6-[(2S,7R,9S,11R,12S,14R,15R)-9,12-dihydroxy-2,6,6,11,15-pentamethyl-5,17-dioxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-14-yl]-2-methyl-4-oxohept-5-enoic acid
CAS Registry NumberNot Available
SMILES
[H]\C(C(=O)CC([H])(C)C(O)=O)=C(\C)[C@@]1([H])C[C@]([H])(O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@]1([H])C[C@]3([H])O
InChI Identifier
InChI=1S/C30H42O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h10,16,18-19,21,23,32,35H,8-9,11-14H2,1-7H3,(H,36,37)/b15-10+/t16?,18-,19+,21+,23+,28+,29-,30+/m1/s1
InChI KeyOVUOUFPIPZJGME-JQDIJSAQSA-N