CHEBI:220966 - Vertinolide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Vertinolide
ChEBI ID CHEBI:220966
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C14H18O4
Net Charge 0
Average Mass 250.294
Monoisotopic Mass 250.12051
InChI InChI=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
InChIKey GQFGVUPBODCMSV-WQWHYOKSSA-N
SMILES O=C1O[C@](CCC(=O)/C=C/C=C/C)(C)C(=C1C)O
Metabolite of Species Details
Verticillium (NCBI:txid1036719) See: DOI
ChEBI Ontology
Outgoing 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 Xref Database
32775043 ChemSpider
View more database links