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Anatalline

PropertiesImage
MNX_IDMNXM10709 Image of MNXM10709
referencechebi:31211
formulaC15H17N3
global charge0
mol weight239.322
InChIKeyCOWQBMIVVHLMNO-UHFFFAOYSA-N
InChIInChI=1S/C15H17N3/c1-3-13(10-16-6-1)12-5-8-18-15(9-12)14-4-2-7-17-11-14/h1-4,6-7,10-12,15,18H,5,8-9H2
SMILESC1=CN=CC(C2CC(C3=CN=CC=C3)CCN2)=C1
MNX internals
InChI (mnx)InChI=1/C15H17N3/c1-3-13(10-16-6-1)12-5-8-18-15(9-12)14-4-2-7-17-11-14/h1-4,6-7,10-12,15,18H,5,8-9H2/t12?,15? Image of MNXM10709
SMILES (mnx)[CH:1]1=[CH:3][C:13]([CH:12]2[CH2:5][CH2:8][NH:18][CH:15]([C:14]3=[CH:11][N:17]=[CH:7][CH:2]=[CH:4]3)[CH2:9]2)=[CH:10][N:16]=[CH:6]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:31211
chebi:31211
kegg.compound:C12454
keggC:C12454
COWQBMIVVHLMNO-UHFFFAOYSA-N 		Anatalline

seed.compound:cpd09205
seedM:cpd09205
COWQBMIVVHLMNO-UHFFFAOYSA-O 		Anatalline
3,3'-(2,4-piperidindiyl)dipyridin
3-(2-pyridin-3-ylpiperidin-4-yl)pyridine
anatalline

metacyc.compound:CPD-21444
metacycM:CPD-21444
COWQBMIVVHLMNO-UHFFFAOYSA-N 		anatalline
3,3'-(2,4-piperidindiyl)dipyridin
3-(2-pyridin-3-ylpiperidin-4-yl)pyridine

keggC:M_C12454
seedM:M_cpd09205 		secondary/obsolete/fantasy identifier