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CHEBI:207086 - Vibralactone H

Default Structure
ChEBI IDCHEBI:207086
ChEBI NameVibralactone H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H14O4
Net Charge0
Average Mass222.240
Monoisotopic Mass222.08921
SMILESCC(C)=CC[C@@]12C=C(C(=O)O)C[C@@H]1OC2=O
InChIInChI=1S/C12H14O4/c1-7(2)3-4-12-6-8(10(13)14)5-9(12)16-11(12)15/h3,6,9H,4-5H2,1-2H3,(H,13,14)/t9-,12+/m0/s1
InChIKeyXYNBKIVTFGGLMN-JOYOIKCWSA-N
Species of MetaboliteComponentSourceComments
Boreostereum vibrans (ncbitaxon:1826779) - PubMed (23909294)
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 H (CHEBI:207086) is a dicarboxylic acid (CHEBI:35692)
IUPAC Name 
(1R,5S)-1-(3-methylbut-2-enyl)-7-oxo-6-oxabicyclo[3.2.0]hept-2-ene-3-carboxylic acid
Manual XrefsDatabases
78441075ChemSpider