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Nigellicine

Properties

Image

Occurences in reactions

MNX_ID

MNXM128692

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

formula

C₁₃H₁₄N₂O₃

charge

mass

246.10044

reference

InChIKey

FEJTUHSIRAJLOJ-UHFFFAOYSA-N

InChI

InChI=1S/C13H14N2O3/c1-8-6-9-11(10(16)7-8)12(13(17)18)15-5-3-2-4-14(9)15/h6-7H,2-5H2,1H3,(H,17,18)

SMILES

Cc1cc2n3n(c(C(=O)O)c-2c(=O)c1)CCCC3

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:168947 chebi:168947	Nigellicine 3-methyl-1-oxo-6,7,8,9-tetrahydropyridazino[1,2-a]indazole-11-carboxylic acid
hmdb:HMDB0030269	Nigellicine 1-hydroxy-3-methyl-6H,7H,8H,9H-10lambda⁵-pyridazino[1,2-a]indazol-10-ylium-11-carboxylate 3-Methyl-1-oxo-1H,6H,7H,8H,9H-pyridazino[1,2-a]indazole-11-carboxylate
hmdb:HMDB30269	secondary/obsolete/fantasy identifier