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CHEBI:168298 - Ganoderic acid C2

Default Structure
ChEBI IDCHEBI:168298
ChEBI NameGanoderic acid C2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H46O7
Net Charge0
Average Mass518.691
Monoisotopic Mass518.32435
SMILES[H][C@@]12C[C@H](O)C3=C(C(=O)C[C@]4(C)[C@@]([H])([C@H](C)CC(=O)C[C@@H](C)C(=O)O)C[C@H](O)[C@@]34C)[C@@]1(C)CC[C@H](O)C2(C)C
InChIInChI=1S/C30H46O7/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/h15-16,18-19,21-23,32,34-35H,8-14H2,1-7H3,(H,36,37)/t15-,16-,18-,19+,21+,22+,23+,28+,29-,30+/m1/s1
InChIKeyRERVSJVGWKIGTJ-RQLZKMEDSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Ganoderic acid C2 (CHEBI:168298) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(2R,6R)-2-methyl-4-oxo-6-[(3S,5R,7S,10S,13R,14R,15S,17R)-3,7,15-trihydroxy-4,4,10,13,14-pentamethyl-11-oxo-1,2,3,5,6,7,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]heptanoic acid
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28485781ChemSpider