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CHEBI:176189 - Withaperuvin G

Default Structure
ChEBI IDCHEBI:176189
ChEBI NameWithaperuvin G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H38O8
Net Charge0
Average Mass502.604
Monoisotopic Mass502.25667
SMILES[H][C@]12CC[C@]3(C)[C@](O)([C@](C)(O)[C@@]4([H])CC(C)=C(C)C(=O)O4)CC[C@@]3(O)[C@]1([H])C[C@@]1([H])O[C@]13C[C@H]1O[C@H]1C(=O)[C@]23C
InChIInChI=1S/C28H38O8/c1-13-10-18(35-22(30)14(13)2)25(5,31)28(33)9-8-26(32)16-11-19-27(36-19)12-17-20(34-17)21(29)24(27,4)15(16)6-7-23(26,28)3/h15-20,31-33H,6-12H2,1-5H3/t15-,16+,17+,18+,19+,20+,23-,24-,25+,26+,27+,28-/m0/s1
InChIKeyFHBPSLRPQVOBMG-YOFRDKSCSA-N
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
Withaperuvin G (CHEBI:176189) is a withanolide (CHEBI:74716)
IUPAC Name 
(1S,2R,4R,6R,8S,10R,12R,13R,16S,17S)-16-[(1R)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-1-hydroxyethyl]-13,16-dihydroxy-2,17-dimethyl-5,9-dioxahexacyclo[10.7.0.02,8.04,6.08,10.013,17]nonadecan-3-one