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CHEBI:220966 - Vertinolide

ChEBI IDCHEBI:220966
ChEBI NameVertinolide
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SubmitterMetaboLights
DownloadsMolfile
FormulaC14H18O4
Net Charge0
Average Mass250.294
Monoisotopic Mass250.12051
SMILESC/C=C/C=C/C(=O)CC[C@]1(C)OC(=O)C(C)=C1O
InChIInChI=1S/C14H18O4/c1-4-5-6-7-11(15)8-9-14(3)12(16)10(2)13(17)18-14/h4-7,16H,8-9H2,1-3H3/b5-4+,7-6+/t14-/m0/s1
InChIKeyGQFGVUPBODCMSV-WQWHYOKSSA-N
Species of MetaboliteComponentSourceComments
Verticillium (ncbitaxon:1036719) - DOI (10.1016/0040-4020(82)80181-6)
ChEBI Ontology
Outgoing Relation(s)
Vertinolide (CHEBI:220966) is a butenolide (CHEBI:50523)
IUPAC Name 
4-hydroxy-3,5-dimethyl-5-[(4E,6E)-3-oxoocta-4,6-dienyl]uran-2-one
Manual XrefsDatabases
32775043ChemSpider