EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:217265 - Vibralactone acetate

Default Structure
ChEBI IDCHEBI:217265
ChEBI NameVibralactone acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H18O4
Net Charge0
Average Mass250.294
Monoisotopic Mass250.12051
SMILESCC(=O)OCC1=C[C@@]2(CC=C(C)C)C(=O)O[C@H]2C1
InChIInChI=1S/C14H18O4/c1-9(2)4-5-14-7-11(8-17-10(3)15)6-12(14)18-13(14)16/h4,7,12H,5-6,8H2,1-3H3/t12-,14+/m0/s1
InChIKeyJPFWXYHSHUIUDU-GXTWGEPZSA-N
Species of MetaboliteComponentSourceComments
Boreostereum vibrans (ncbitaxon:1826779) - PubMed (18758102)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Vibralactone acetate (CHEBI:217265) is a dicarboxylic acid (CHEBI:35692)
IUPAC Name 
[(1R,5S)-1-(3-methylbut-2-enyl)-7-oxo-6-oxabicyclo[3.2.0]hept-2-en-3-yl]methyl acetate
Manual XrefsDatabases
76821235ChemSpider