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dihydrochanoclavine-I aldehyde

MNXM97506 is deprecated and replaced by MNXM1100457

Properties

Image

Occurences in reactions

MNX_ID

MNXM1100457

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	1

formula

C₁₆H₂₁N₂O

charge

mass

257.16484

reference

InChIKey

FZMIVISXXWRICN-SKNXHYNKSA-O

InChI

InChI=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

SMILES

C[NH2+][C@@H]1Cc2c[nH]c3cccc(c23)[C@H]1CC(C)C=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:65032 chebi:65032	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	(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	Dihydrochanoclavine-I aldehyde
metacyc.compound:CPD-14465 metacycM:CPD-14465	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	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