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Nigellidine

PropertiesImageOccurences in reactions
MNX_IDMNXM128693Image of MNXM128693
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC18H18N2O2
charge0
mass294.13683
referencehmdb:HMDB0041061
InChIKeyBYNDPWUDABJNCH-UHFFFAOYSA-N
InChIInChI=1S/C18H18N2O2/c1-12-10-15-17(16(22)11-12)18(13-4-6-14(21)7-5-13)20-9-3-2-8-19(15)20/h4-7,10-11H,2-3,8-9H2,1H3,(H,21,22)
SMILESCc1cc([O-])c2c(-c3ccc(O)cc3)[n+]3n(c2c1)CCCC3
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
hmdb:HMDB0041061 Nigellidine
11-(4-hydroxyphenyl)-3-methyl-6H,7H,8H,9H-10lambda⁵-pyridazino[1,2-a]indazol-10-ylium-1-olate
6,7,8,9-Tetrahydro-1-hydroxy-11-(4-hydroxyphenyl)-3-methylpyridazino[1,2-a]indazol-5-ium inner salt, 9ci
hmdb:HMDB41061 secondary/obsolete/fantasy identifier