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CHEBI:31433 - Coumermic acid

ChEBI IDCHEBI:31433
ChEBI NameCoumermic acid
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC27H21N3O10
Net Charge0
Average Mass547.476
Monoisotopic Mass547.12269
SMILESCc1c(C(=O)Nc2c(O)c3ccc(O)c(C)c3oc2=O)cnc1C(=O)Nc1c(O)c2ccc(O)c(C)c2oc1=O
InChIInChI=1S/C27H21N3O10/c1-9-14(24(35)29-18-20(33)12-4-6-15(31)10(2)22(12)39-26(18)37)8-28-17(9)25(36)30-19-21(34)13-5-7-16(32)11(3)23(13)40-27(19)38/h4-8,28,31-34H,1-3H3,(H,29,35)(H,30,36)
InChIKeyKUACUXAJPDYURP-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Coumermic acid (CHEBI:31433) is a hydroxycoumarin (CHEBI:37912)
Synonym  Source
Coumermic acidKEGG COMPOUND
Manual XrefsDatabases
C12479KEGG COMPOUND