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CHEBI:168097 - Mono-trans-p-coumaroylmesotartaric acid

ChEBI IDCHEBI:168097
ChEBI NameMono-trans-p-coumaroylmesotartaric acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H14O8
Net Charge0
Average Mass310.258
Monoisotopic Mass310.06887
SMILESO=C(O)CC(O)C(OC(=O)/C=C/c1ccc(O)cc1)C(=O)O
InChIInChI=1S/C14H14O8/c15-9-4-1-8(2-5-9)3-6-12(19)22-13(14(20)21)10(16)7-11(17)18/h1-6,10,13,15-16H,7H2,(H,17,18)(H,20,21)/b6-3+
InChIKeyWZHTXSWUIFRTCQ-ZZXKWVIFSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Mono-trans-p-coumaroylmesotartaric acid (CHEBI:168097) is a cinnamate ester (CHEBI:36087)
IUPAC Name 
3-hydroxy-2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxypentanedioic acid
Manual XrefsDatabases
HMDB0029783HMDB
35013080ChemSpider