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violaceinate

Properties

Image

with InChI numbering

Occurences in reactions

MNX_ID

MNXM97621

	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	0

formula

C₂₁H₁₄N₃O₄

charge

-1

mass

372.36

reference

InChIKey

AVEFAUDTSHGJQO-UHFFFAOYSA-M

InChI

InChI=1S/C21H15N3O4/c25-10-5-6-15-12(7-10)14(9-22-15)17-8-13(19(23-17)21(27)28)18-11-3-1-2-4-16(11)24-20(18)26/h1-9,22-26H,(H,27,28)/p-1

SMILES

O=C([O-])C1=C(C2=C(O)NC3=C2C=CC=C3)C=C(C2=CNC3=C2C=C(O)C=C3)N1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:90900 chebi:90900	violaceinate
kegg.compound:C21135 keggC:C21135	Violaceinic acid Violaceinate
metacyc.compound:CPD-14324 metacycM:CPD-14324 seed.compound:cpd24297 seedM:cpd24297	violaceinate violaceinic acid
CHEBI:90899 chebi:90899	violaceinic acid 3-(2-hydroxy-1H-indol-3-yl)-5-(5-hydroxy-1H-indol-3-yl)-1H-pyrrole-2-carboxylic acid
keggC:M_C21135 seedM:M_cpd24297	secondary/obsolete/fantasy identifier