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CHEBI:169228 - 2-[({3-[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)benzoyloxy]-2,4,5-trihydroxyphenyl}(hydroxy)methylidene)amino]acetic acid

Default Structure
ChEBI IDCHEBI:169228
ChEBI Name2-[({3-[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)benzoyloxy]-2,4,5-trihydroxyphenyl}(hydroxy)methylidene)amino]acetic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H17NO15
Net Charge0
Average Mass547.381
Monoisotopic Mass547.05982
SMILESO=C(O)CNC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)c1O
InChIInChI=1S/C23H17NO15/c25-10-1-7(2-11(26)17(10)32)22(36)38-14-4-8(3-12(27)18(14)33)23(37)39-20-16(31)9(5-13(28)19(20)34)21(35)24-6-15(29)30/h1-5,25-28,31-34H,6H2,(H,24,35)(H,29,30)
InChIKeyCAHKHOKBBCCQIM-UHFFFAOYSA-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)
2-[({3-[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)benzoyloxy]-2,4,5-trihydroxyphenyl}(hydroxy)methylidene)amino]acetic acid (CHEBI:169228) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
2-[[3-[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxybenzoyl]oxy-2,4,5-trihydroxybenzoyl]amino]acetic acid
Manual XrefsDatabases
74852172ChemSpider
HMDB0128334HMDB