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CHEBI:172548 - Isopulegone caffeate

ChEBI IDCHEBI:172548
ChEBI NameIsopulegone caffeate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H24O4
Net Charge0
Average Mass316.397
Monoisotopic Mass316.16746
SMILESC=C(C)C1CCC(COC(=O)/C=C/c2ccc(O)c(O)c2)CC1
InChIInChI=1S/C19H24O4/c1-13(2)16-7-3-15(4-8-16)12-23-19(22)10-6-14-5-9-17(20)18(21)11-14/h5-6,9-11,15-16,20-21H,1,3-4,7-8,12H2,2H3/b10-6+
InChIKeySSVXLIRLGPMWSL-UXBLZVDNSA-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)
Isopulegone caffeate (CHEBI:172548) is a hydroxycinnamic acid (CHEBI:24689)
IUPAC Name 
(4-prop-1-en-2-ylcyclohexyl)methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Manual XrefsDatabases
13385963ChemSpider
HMDB0029566HMDB