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CHEBI:225198 - Ganoweberianic acid A

Default Structure
ChEBI IDCHEBI:225198
ChEBI NameGanoweberianic acid A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H42O7
Net Charge0
Average Mass514.659
Monoisotopic Mass514.29305
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[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O
InChIInChI=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/h15-16,18,21,23,35H,8-14H2,1-7H3,(H,36,37)/t15-,16+,18-,21+,23-,28+,29-,30+/m1/s1
InChIKeyKIJCKCLHIXLFEW-XYLHHUSESA-N
Species of MetaboliteComponentSourceComments
Ganoderma weberianum (ncbitaxon:34468) - PubMed (33107297)
ChEBI Ontology
Outgoing Relation(s)
Ganoweberianic acid A (CHEBI:225198) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(2S,6R)-6-[(5R,10S,13R,14R,15R,17R)-15-hydroxy-4,4,10,13,14-pentamethyl-3,7,11-trioxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid
Manual XrefsDatabases
113385071ChemSpider