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CHEBI:182889 - Dtxsid40950237

Default Structure
ChEBI IDCHEBI:182889
ChEBI NameDtxsid40950237
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H38O6
Net Charge0
Average Mass470.606
Monoisotopic Mass470.26684
SMILESCC1=C(C)C(=O)OC(C(C)C2(O)CCC3C4C5OC5C5(O)CC=CC(=O)C5(C)C4CCC32C)C1
InChIInChI=1S/C28H38O6/c1-14-13-19(33-24(30)15(14)2)16(3)27(31)12-9-17-21-18(8-11-25(17,27)4)26(5)20(29)7-6-10-28(26,32)23-22(21)34-23/h6-7,16-19,21-23,31-32H,8-13H2,1-5H3
InChIKeyFAZIYUIDUNHZRG-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)
Dtxsid40950237 (CHEBI:182889) is a withanolide (CHEBI:74716)
IUPAC Name 
15-[1-(4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-5,15-dihydroxy-10,14-dimethyl-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-7-en-9-one
Manual XrefsDatabases
266681ChemSpider