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

Default Structure
ChEBI IDCHEBI:180704
ChEBI Name2-({[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)phenyl](hydroxy)methylidene}amino)acetic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H13NO10
Net Charge0
Average Mass379.277
Monoisotopic Mass379.05395
SMILESO=C(O)CNC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1
InChIInChI=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)
InChIKeyBYJVPYAUWHIXPJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) Article
ChEBI Ontology
Outgoing Relation(s)
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
Manual XrefsDatabases
74852168ChemSpider
HMDB0128325HMDB