EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:176194 - Withaperuvin F

Default Structure
ChEBI IDCHEBI:176194
ChEBI NameWithaperuvin F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H38O8
Net Charge0
Average Mass502.604
Monoisotopic Mass502.25667
SMILESCC1=C(C)C(=O)OC(C(C)(O)C2(O)CC=C3C4CC5OC6CC(=O)C(C)(C4CCC32C)C5(O)C6O)C1
InChIInChI=1S/C28H38O8/c1-13-10-20(36-23(31)14(13)2)26(5,32)27(33)9-7-16-15-11-21-28(34)22(30)18(35-21)12-19(29)25(28,4)17(15)6-8-24(16,27)3/h7,15,17-18,20-22,30,32-34H,6,8-12H2,1-5H3
InChIKeyYZKXYOSYQKJNOD-UHFFFAOYSA-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 F (CHEBI:176194) is a withanolide (CHEBI:74716)
IUPAC Name 
7-[1-(4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl)-1-hydroxyethyl]-7,16,17-trihydroxy-8,12-dimethyl-18-oxapentacyclo[13.2.1.03,11.04,8.012,17]octadec-4-en-13-one
Manual XrefsDatabases
HMDB0034400HMDB