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CHEBI:225208 - Ganoweberianic acid C

Default Structure
ChEBI IDCHEBI:225208
ChEBI NameGanoweberianic acid C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H44O8
Net Charge0
Average Mass532.674
Monoisotopic Mass532.30362
SMILESC[C@H](CC(=O)C[C@H](C)C(=O)O)[C@H]1C[C@@H](O)[C@@]2(C)C3=C(C(=O)[C@@H](O)[C@]12C)[C@@]1(C)CCC(O)C(C)(C)[C@@H]1CC3=O
InChIInChI=1S/C30H44O8/c1-14(10-16(31)11-15(2)26(37)38)17-12-21(34)30(7)22-18(32)13-19-27(3,4)20(33)8-9-28(19,5)23(22)24(35)25(36)29(17,30)6/h14-15,17,19-21,25,33-34,36H,8-13H2,1-7H3,(H,37,38)/t14-,15+,17-,19+,20?,21-,25-,28+,29+,30+/m1/s1
InChIKeyNOFBLPDULBXDPC-CLCZCJAISA-N
Species of MetaboliteComponentSourceComments
Ganoderma weberianum (ncbitaxon:34468) - PubMed (33107297)
ChEBI Ontology
Outgoing Relation(s)
Ganoweberianic acid C (CHEBI:225208) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(2S,6R)-2-methyl-4-oxo-6-[(5R,10S,12S,13R,14R,15R,17R)-3,12,15-trihydroxy-4,4,10,13,14-pentamethyl-7,11-dioxo-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]heptanoic acid