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CHEBI:225203 - Ganoweberianic acid B

Default Structure
ChEBI IDCHEBI:225203
ChEBI NameGanoweberianic acid B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H44O7
Net Charge0
Average Mass516.675
Monoisotopic Mass516.30870
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/C30H44O7/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/h15-16,18,21-23,34-35H,8-14H2,1-7H3,(H,36,37)/t15-,16+,18-,21+,22?,23-,28+,29-,30+/m1/s1
InChIKeyAHOONYRTRBKKRD-OQWZOTKYSA-N
Species of MetaboliteComponentSourceComments
Ganoderma weberianum (ncbitaxon:34468) - PubMed (33107297)
ChEBI Ontology
Outgoing Relation(s)
Ganoweberianic acid B (CHEBI:225203) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(2S,6R)-6-[(5R,10S,13R,14R,15R,17R)-3,15-dihydroxy-4,4,10,13,14-pentamethyl-7,11-dioxo-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid