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Aphylline

PropertiesImage
MNX_IDMNXM1371708 Image of MNXM1371708
referenceseedM:cpd07638
formulaC15H25N2O
global charge1
mol weight249.378
InChIKeyYQMWQSMYVPLYDI-SYQHCUMBSA-O
InChIInChI=1S/C15H24N2O/c18-15-12-9-11(13-5-2-4-8-17(13)15)10-16-7-3-1-6-14(12)16/h11-14H,1-10H2/p+1/t11-,12-,13-,14+/m1/s1
SMILESO=C1[C@@H]2C[C@H](C[NH+]3CCCC[C@@H]23)[C@H]2CCCCN12
MNX internals
InChI (mnx)InChI=1/C15H24N2O/c18-15-12-9-11(13-5-2-4-8-17(13)15)10-16-7-3-1-6-14(12)16/h11-14H,1-10H2/t11-,12-,13-,14+/m1/s1 Image of MNXM1371708
SMILES (mnx)[CH2:1]1[CH2:3][CH2:7][N:16]2[CH2:10][C@H:11]3[CH2:9][C@H:12]([C@@H:14]2[CH2:6]1)[C:15](=[O:18])[N:17]1[CH2:8][CH2:4][CH2:2][CH2:5][C@H:13]31
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

seed.compound:cpd07638
seedM:cpd07638
YQMWQSMYVPLYDI-SYQHCUMBSA-O 		Aphylline
(+)-Aphylline
17-oxosparteine

seedM:M_cpd07638 		secondary/obsolete/fantasy identifier