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CHEBI:168875 - 5-O-Feruloylnigrumin

ChEBI IDCHEBI:168875
ChEBI Name5-O-Feruloylnigrumin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H25NO10
Net Charge0
Average Mass451.428
Monoisotopic Mass451.14785
SMILESCOc1cc(/C=C/C(=O)OC/C(C#N)=C\COC2OC(CO)C(O)C(O)C2O)ccc1O
InChIInChI=1S/C21H25NO10/c1-29-15-8-12(2-4-14(15)24)3-5-17(25)31-11-13(9-22)6-7-30-21-20(28)19(27)18(26)16(10-23)32-21/h2-6,8,16,18-21,23-24,26-28H,7,10-11H2,1H3/b5-3+,13-6-
InChIKeyZZGPJESHTGYKSG-WIMOKQHYSA-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-Feruloylnigrumin (CHEBI:168875) 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-hydroxy-3-methoxyphenyl)prop-2-enoate
Manual XrefsDatabases
HMDB0038735HMDB