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dihydrochanoclavine-I aldehyde

MNXM97506 is deprecated and replaced by MNXM1100457
PropertiesImage
MNX_IDMNXM1100457 Image of MNXM1100457
referencechebi:65032
formulaC16H21N2O
global charge1
mol weight257.357
InChIKeyFZMIVISXXWRICN-SKNXHYNKSA-O
InChIInChI=1S/C16H20N2O/c1-10(9-19)6-13-12-4-3-5-14-16(12)11(8-18-14)7-15(13)17-2/h3-5,8-10,13,15,17-18H,6-7H2,1-2H3/p+1/t10?,13-,15-/m1/s1
SMILESC[NH2+][C@@H]1CC2=CNC3=C2C(=CC=C3)[C@H]1CC(C)C=O
MNX internals
InChI (mnx)InChI=1/C16H20N2O/c1-10(9-19)6-13-12-4-3-5-14-16(12)11(8-18-14)7-15(13)17-2/h3-5,8-10,13,15,17-18H,6-7H2,1-2H3/t10?,13-,15-/m1/s1 Image of MNXM1100457
SMILES (mnx)[CH3:1][CH:10]([CH2:6][C@@H:13]1[C:12]2=[C:16]3[C:11](=[CH:8][NH:18][C:14]3=[CH:5][CH:3]=[CH:4]2)[CH2:7][C@H:15]1[NH:17][CH3:2])[CH:9]=[O:19]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:65032
chebi:65032
FZMIVISXXWRICN-SKNXHYNKSA-O 		dihydrochanoclavine-I aldehyde
(4R,5R)-N-methyl-5-(2-methyl-3-oxopropyl)-1,3,4,5-tetrahydrobenzo[cd]indol-4-aminium
(6R,7R)-N-methyl-7-(2-methyl-3-oxopropyl)-2-azatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-6-aminium
dihydrochanoclavine-I aldehyde cation
dihydrochanoclavine-I aldehyde(1+)

seed.compound:cpd31966
seedM:cpd31966
FZMIVISXXWRICN-SKNXHYNKSA-O 		(6R,7R)-N-methyl-7-(2-methyl-3-oxopropyl)-2-azatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-6-aminium
dihydrochanoclavine-I aldehyde

kegg.compound:C21897
keggC:C21897
FZMIVISXXWRICN-SKNXHYNKSA-N 		Dihydrochanoclavine-I aldehyde

metacyc.compound:CPD-14465
metacycM:CPD-14465
FZMIVISXXWRICN-SKNXHYNKSA-O 		dihydrochanoclavine-I aldehyde
(6R,7R)-N-methyl-7-(2-methyl-3-oxopropyl)-2-azatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-6-aminium

CHEBI:65041
chebi:65041
FZMIVISXXWRICN-SKNXHYNKSA-N 		dihydrochanoclavine-I aldehyde
2-methyl-3-[(4R,5R)-4-(methylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-5-yl]propanal

keggC:M_C21897
seedM:M_cpd31966 		secondary/obsolete/fantasy identifier