CHEBI:225213 - Ganoweberianic acid D

ChEBI IDCHEBI:225213
ChEBI NameGanoweberianic acid D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H42O8
Net Charge0
Average Mass530.658
Monoisotopic Mass530.28797
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/C30H42O8/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/h14-15,17,19,21,25,34,36H,8-13H2,1-7H3,(H,37,38)/t14-,15+,17-,19+,21-,25-,28+,29+,30+/m1/s1
InChIKeyAVOAZIBZFYOUHZ-SRZVDUCJSA-N
Species of MetaboliteComponentSourceComments
Ganoderma weberianum (ncbitaxon:34468) - PubMed (33107297)
ChEBI Ontology
Outgoing Relation(s)
Ganoweberianic acid D (CHEBI:225213) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(2S,6R)-6-[(5R,10S,12S,13R,14R,15R,17R)-12,15-dihydroxy-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
113385074ChemSpider