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CHEBI:175793 - 2,3-Dihydrowithanolide E

Default Structure
ChEBI IDCHEBI:175793
ChEBI Name2,3-Dihydrowithanolide E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H40O7
Net Charge0
Average Mass488.621
Monoisotopic Mass488.27740
SMILESCC1=C(C)C(=O)OC(C(C)(O)C2(O)CCC3(O)C4CC5OC56CCCC(=O)C6(C)C4CCC32C)C1
InChIInChI=1S/C28H40O7/c1-15-13-20(34-22(30)16(15)2)25(5,31)28(33)12-11-26(32)18-14-21-27(35-21)9-6-7-19(29)24(27,4)17(18)8-10-23(26,28)3/h17-18,20-21,31-33H,6-14H2,1-5H3
InChIKeyOILCCDVXJXTPHF-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)
2,3-Dihydrowithanolide E (CHEBI:175793) is a withanolide (CHEBI:74716)
IUPAC Name 
15-[1-(4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl)-1-hydroxyethyl]-12,15-dihydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-3-one
Manual XrefsDatabases
HMDB0034057HMDB