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CHEBI:29580 - Esmeraldic acid

ChEBI IDCHEBI:29580
ChEBI NameEsmeraldic acid
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC30H22N4O5
Net Charge0
Average Mass518.529
Monoisotopic Mass518.15902
SMILESCC(O)c1cccc2nc3c(C(=O)O)cc4c(c3nc12)C(C)c1cccc2c1N4c1cccc(C(=O)O)c1N2
InChIInChI=1S/C30H22N4O5/c1-13-15-6-3-10-20-28(15)34(21-11-5-8-17(29(36)37)25(21)32-20)22-12-18(30(38)39)26-27(23(13)22)33-24-16(14(2)35)7-4-9-19(24)31-26/h3-14,32,35H,1-2H3,(H,36,37)(H,38,39)
InChIKeyWTSDJSFJEHPIOD-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Esmeraldic acid (CHEBI:29580) is a phenazines (CHEBI:39201)
Synonym  Source
Esmeraldic acidKEGG COMPOUND
Manual XrefsDatabases
C12116KEGG COMPOUND