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protoviolaceinate

Properties

Image

Occurences in reactions

MNX_ID

MNXM97338

	#reac
in my sandbox	0
in MNXref (generic)	11
in models (compartimentalized)	0

formula

C₂₁H₁₄N₃O₃

charge

-1

mass

356.361

reference

chebi:90898

InChIKey

HNIIMOJBRIPGHJ-UHFFFAOYSA-M

InChI

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

SMILES

[cH:1]1[cH:2][cH:4][c:17]2[c:12]([cH:3]1)[c:15](-[c:14]1[cH:8][c:19](-[c:16]3[cH:10][nH:23][c:18]4[cH:6][cH:5][c:11]([OH:25])[cH:7][c:13]34)[nH:24][c:20]1[C:21]([OH:26])=[O:27])[cH:9][nH:22]2

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:90898 chebi:90898	protoviolaceinate 5-(5-hydroxy-1H-indol-3-yl)-3-(1H-indol-3-yl)-1H-pyrrole-2-carboxylate
kegg.compound:C21134 keggC:C21134	Protoviolaceinic acid Protoviolaceinate
metacyc.compound:CPD-14319 metacycM:CPD-14319 seed.compound:cpd24292 seedM:cpd24292	protoviolaceinate protoviolaceinic acid
CHEBI:90897 chebi:90897	protoviolaceinic acid 5-(5-hydroxy-1H-indol-3-yl)-3-(1H-indol-3-yl)-1H-pyrrole-2-carboxylic acid
keggC:M_C21134 seedM:M_cpd24292	secondary/obsolete/fantasy identifier