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alstoumerine

PropertiesImage
MNX_IDMNXM102622 Image of MNXM102622
referencechebi:69148
formulaC20H24N2O2
global charge0
mol weight324.424
InChIKeyLWSDVTSJDOUAFK-MHAZOHMYSA-N
InChIInChI=1S/C20H24N2O2/c1-11(24)15-9-22-18-8-14-12-5-3-4-6-17(12)21(2)20(14)19(22)7-13(15)16(18)10-23/h3-6,9,11,13,16,18-19,23-24H,7-8,10H2,1-2H3/t11-,13+,16+,18-,19-/m0/s1
SMILESC[C@H](O)C1=CN2C3CC4=C([C@@H]2C[C@H]1[C@H]3CO)N(C)C1=CC=CC=C14
MNX internals
InChI (mnx)InChI=1/C20H24N2O2/c1-11(24)15-9-22-18-8-14-12-5-3-4-6-17(12)21(2)20(14)19(22)7-13(15)16(18)10-23/h3-6,9,11,13,16,18-19,23-24H,7-8,10H2,1-2H3/t11-,13+,16+,18-,19-/m0/s1 Image of MNXM102622
SMILES (mnx)[CH3:1][C@@H:11]([C:15]1=[CH:9][N:22]2[C@H:18]3[CH2:8][C:14]4=[C:20]([C@@H:19]2[CH2:7][C@H:13]1[C@H:16]3[CH2:10][OH:23])[N:21]([CH3:2])[C:17]1=[CH:6][CH:4]=[CH:3][CH:5]=[C:12]41)[OH:24]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:69148
chebi:69148
LWSDVTSJDOUAFK-MHAZOHMYSA-N
alstoumerine