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CHEBI:169436 - 5-O-p-Coumaroylnigrumin

ChEBI IDCHEBI:169436
ChEBI Name5-O-p-Coumaroylnigrumin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H23NO9
Net Charge0
Average Mass421.402
Monoisotopic Mass421.13728
SMILESN#C/C(=C/COC1OC(CO)C(O)C(O)C1O)COC(=O)/C=C/c1ccc(O)cc1
InChIInChI=1S/C20H23NO9/c21-9-13(11-29-16(24)6-3-12-1-4-14(23)5-2-12)7-8-28-20-19(27)18(26)17(25)15(10-22)30-20/h1-7,15,17-20,22-23,25-27H,8,10-11H2/b6-3+,13-7-
InChIKeyCUXBICPZQSXIEU-RJFXKCBKSA-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)
5-O-p-Coumaroylnigrumin (CHEBI:169436) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
[(Z)-2-cyano-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-2-enyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
Manual XrefsDatabases
HMDB0038730HMDB