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deoxyviolaceinate

Properties

Image

Occurences in reactions

MNX_ID

MNXM97503

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

formula

C₂₁H₁₄N₃O₃

charge

-1

mass

356.361

reference

chebi:90910

InChIKey

YNGCGCMGWQFYIK-UHFFFAOYSA-M

InChI

InChI=1S/C21H15N3O3/c25-20-18(12-6-2-4-8-16(12)24-20)13-9-17(23-19(13)21(26)27)14-10-22-15-7-3-1-5-11(14)15/h1-10,22-25H,(H,26,27)/p-1

SMILES

[cH:1]1[cH:3][cH:7][c:15]2[c:11]([cH:5]1)[c:14](-[c:17]1[cH:9][c:13](-[c:18]3[c:12]4[cH:6][cH:2][cH:4][cH:8][c:16]4[nH:24][c:20]3[OH:25])[c:19]([C:21]([OH:26])=[O:27])[nH:23]1)[cH:10][nH:22]2

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:90910 chebi:90910	deoxyviolaceinate 3-(2-hydroxy-1H-indol-3-yl)-5-(1H-indol-3-yl)-1H-pyrrole-2-carboxylate
kegg.compound:C21132 keggC:C21132	Deoxyviolaceinic acid Deoxyviolaceinate
metacyc.compound:CPD-14323 metacycM:CPD-14323 seed.compound:cpd24296 seedM:cpd24296	deoxyviolaceinate deoxyviolaceinic acid
CHEBI:90909 chebi:90909	deoxyviolaceinic acid 3-(2-hydroxy-1H-indol-3-yl)-5-(1H-indol-3-yl)-1H-pyrrole-2-carboxylic acid
keggC:M_C21132 seedM:M_cpd24296	secondary/obsolete/fantasy identifier