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CHEBI:221510 - Vibralactone E

ChEBI IDCHEBI:221510
ChEBI NameVibralactone E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC12H18O4
Net Charge0
Average Mass226.272
Monoisotopic Mass226.12051
SMILESCC(C)=CC[C@@]1(C(=O)O)C=C(CO)C[C@@H]1O
InChIInChI=1S/C12H18O4/c1-8(2)3-4-12(11(15)16)6-9(7-13)5-10(12)14/h3,6,10,13-14H,4-5,7H2,1-2H3,(H,15,16)/t10-,12+/m0/s1
InChIKeyUUMWBQSWKYTAJH-CMPLNLGQSA-N
Species of MetaboliteComponentSourceComments
Boreostereum vibrans (ncbitaxon:1826779) - PubMed (20045978)
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 E (CHEBI:221510) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name 
(1R,5S)-5-hydroxy-3-(hydroxymethyl)-1-(3-methylbut-2-enyl)cyclopent-2-ene-1-carboxylic acid
Manual XrefsDatabases
78441393ChemSpider