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dihydrocamalexic acid

Properties

Image

Occurences in reactions

MNX_ID

MNXM163356

	#reac
in my sandbox	0
in MNXref (generic)	9
in models (compartimentalized)	0

formula

C₁₂H₁₀N₂O₂S

charge

mass

246.0463

reference

InChIKey

GTTVJFCVXYCPHB-UHFFFAOYSA-N

InChI

InChI=1S/C12H10N2O2S/c15-12(16)10-6-17-11(14-10)8-5-13-9-4-2-1-3-7(8)9/h1-5,10,13H,6H2,(H,15,16)

SMILES

O=C(O)C1CSC(c2c[nH]c3ccccc23)=N1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:47794 chebi:47794	dihydrocamalexic acid 2-(1H-indol-3-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
metacyc.compound:INDOLE-CARBOXY-HYDRO-THIAZOLE metacycM:INDOLE-CARBOXY-HYDRO-THIAZOLE	(R)-dihydrocamalexate (4R)-2-(1H-indol-3-yl)-4,5-dihydrothiazole-4-carboxylate dihydrocamalexic acid
seed.compound:cpd27286 seedM:cpd27286	2-(indole-3-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid (4R)-2-(1H-indol-3-yl)-4,5-dihydrothiazole-4-carboxylate (R)-dihydrocamalexate dihydrocamalexate dihydrocamalexic acid
seedM:M_cpd27286	secondary/obsolete/fantasy identifier