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CHEBI:190397 - Sinapoyl malate

ChEBI IDCHEBI:190397
ChEBI NameSinapoyl malate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H16O9
Net Charge0
Average Mass340.284
Monoisotopic Mass340.07943
SMILESCOc1cc(/C=C/C(=O)OC(CC(=O)O)C(=O)O)cc(OC)c1O
InChIInChI=1S/C15H16O9/c1-22-9-5-8(6-10(23-2)14(9)19)3-4-13(18)24-11(15(20)21)7-12(16)17/h3-6,11,19H,7H2,1-2H3,(H,16,17)(H,20,21)/b4-3+
InChIKeyDUDGAPSRYCQPBG-ONEGZZNKSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS3854)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Sinapoyl malate (CHEBI:190397) is a hydroxycinnamic acid (CHEBI:24689)
IUPAC Name 
2-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxybutanedioic acid
Manual XrefsDatabases
35797041ChemSpider
C02887KEGG COMPOUND