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CHEBI:172516 - Gravolenic acid

ChEBI IDCHEBI:172516
ChEBI NameGravolenic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H16O6
Net Charge0
Average Mass280.276
Monoisotopic Mass280.09469
SMILESCC(C)(O)C1Cc2c(O)c(O)cc(/C=C/C(=O)O)c2O1
InChIInChI=1S/C14H16O6/c1-14(2,19)10-6-8-12(18)9(15)5-7(13(8)20-10)3-4-11(16)17/h3-5,10,15,18-19H,6H2,1-2H3,(H,16,17)/b4-3+
InChIKeyDABSIZUNYJTFDJ-ONEGZZNKSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Gravolenic acid (CHEBI:172516) is a hydroxycinnamic acid (CHEBI:24689)
IUPAC Name 
(E)-3-[4,5-dihydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzouran-7-yl]prop-2-enoic acid