2-({[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)phenyl](hydroxy)methylidene}amino)acetic acid (CHEBI:180704)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	2-({[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)phenyl](hydroxy)methylidene}amino)acetic acid

ChEBI ID	CHEBI:180704

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C16H13NO10

Net Charge

Average Mass

379.277

Monoisotopic Mass

379.05395

InChI

InChI=1S/C16H13NO10/c18-8-2-7(3-9(19)13(8)23)16(26)27-11-4-6(1-10(20)14(11)24)15(25)17-5-12(21)22/h1-4,18-20,23-24H,5H2,(H,17,25)(H,21,22)

InChIKey

BYJVPYAUWHIXPJ-UHFFFAOYSA-N

SMILES

O(C1=CC(=CC(O)=C1O)C(=O)NCC(O)=O)C(=O)C2=CC(O)=C(O)C(O)=C2

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in blood serum (BTO:0000133).

ChEBI Ontology
Outgoing	2-({[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)phenyl](hydroxy)methylidene}amino)acetic acid (CHEBI:180704) is a carbonyl compound (CHEBI:36586)

IUPAC Name

2-[[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxybenzoyl]amino]acetic acid