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

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ChEBI Name 2-[({3-[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)benzoyloxy]-2,4,5-trihydroxyphenyl}(hydroxy)methylidene)amino]acetic acid
ChEBI ID CHEBI:169228
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H17NO15
Net Charge 0
Average Mass 547.381
Monoisotopic Mass 547.05982
InChI InChI=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)
InChIKey CAHKHOKBBCCQIM-UHFFFAOYSA-N
SMILES O(C1=C(O)C(=CC(O)=C1O)C(=O)NCC(O)=O)C(=O)C=2C=C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)=C(O)C2
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
74852172 ChemSpider
HMDB0128334 HMDB
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