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CHEBI:185306 - 2-{[(2E)-3-(3,4-dihydroxyphenyl)-1-hydroxyprop-2-en-1-ylidene]amino}-5-hydroxybenzoic acid

ChEBI IDCHEBI:185306
ChEBI Name2-{[(2E)-3-(3,4-dihydroxyphenyl)-1-hydroxyprop-2-en-1-ylidene]amino}-5-hydroxybenzoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H13NO6
Net Charge0
Average Mass315.281
Monoisotopic Mass315.07429
SMILESO=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(O)cc1C(=O)O
InChIInChI=1S/C16H13NO6/c18-10-3-4-12(11(8-10)16(22)23)17-15(21)6-2-9-1-5-13(19)14(20)7-9/h1-8,18-20H,(H,17,21)(H,22,23)/b6-2+
InChIKeyIDUUXROOZBOOPH-QHHAFSJGSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
2-{[(2E)-3-(3,4-dihydroxyphenyl)-1-hydroxyprop-2-en-1-ylidene]amino}-5-hydroxybenzoic acid (CHEBI:185306) is a alkaloid (CHEBI:22315)
2-{[(2E)-3-(3,4-dihydroxyphenyl)-1-hydroxyprop-2-en-1-ylidene]amino}-5-hydroxybenzoic acid (CHEBI:185306) is a benzamides (CHEBI:22702)
IUPAC Name 
2-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino]-5-hydroxybenzoic acid
Manual XrefsDatabases
9897916ChemSpider
HMDB0038576HMDB
Registry NumbersSources
CAS:116764-15-9ChemIDplus