Record Information
public_id FDB001102
Chemical Information
name (S)-Spinacine
description Isol. from the crab (Crango vulgaris), from the liver of the shark (Acanthias vulgaris) and from spinach. Also isol. from the roots of Panax ginseng
cas_number 59981-63-4
Properties
created_at 2010-04-08 22:04:50
updated_at 2013-08-28 07:38:36
moldb_smiles OC(=O)C1CC2=C(CN1)N=CN2
moldb_formula C7H9N3O2
moldb_average_mass 167.1653
moldb_inchi InChI=1S/C7H9N3O2/c11-7(12)5-1-4-6(2-8-5)10-3-9-4/h3,5,8H,1-2H2,(H,9,10)(H,11,12)
moldb_mono_mass 167.069476547
moldb_inchikey InChIKey=YCFJXOFFQLPCHD-UHFFFAOYSA-N
moldb_iupac 1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-6-carboxylic acid
Structure Thumb
Synonyms
Synonym Source
Spinacine biospider