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CHEBI:175703 - Vamonolide

Default Structure
ChEBI IDCHEBI:175703
ChEBI NameVamonolide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H40O6
Net Charge0
Average Mass472.622
Monoisotopic Mass472.28249
SMILESCC1CC(C(C)C2CCC3(O)C4C5OC5C5(O)CC=CC(=O)C5(C)C4CCC23C)OC(=O)C1C
InChIInChI=1S/C28H40O6/c1-14-13-19(33-24(30)15(14)2)16(3)17-9-12-27(31)21-18(8-11-25(17,27)4)26(5)20(29)7-6-10-28(26,32)23-22(21)34-23/h6-7,14-19,21-23,31-32H,8-13H2,1-5H3
InChIKeyLTYSVVJJHYDSMR-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)
Vamonolide (CHEBI:175703) is a withanolide (CHEBI:74716)
IUPAC Name 
15-[1-(4,5-dimethyl-6-oxooxan-2-yl)ethyl]-5,18-dihydroxy-10,14-dimethyl-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-7-en-9-one
Manual XrefsDatabases
HMDB0037379HMDB