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15alpha-stemmadenine

Properties

Image

Occurences in reactions

MNX_ID

MNXM4829

	#reac
in my sandbox	0
in MNXref (generic)	7
in models (compartimentalized)	0

formula

C₂₁H₂₇N₂O₃

charge

mass

355.20162

reference

chebi:142674

InChIKey

MBXJCHZRHROMQA-OSZHWHEXSA-O

InChI

InChI=1S/C21H26N2O3/c1-3-14-12-23-10-8-16-15-6-4-5-7-18(15)22-19(16)21(13-24,20(25)26-2)17(14)9-11-23/h3-7,17,22,24H,8-13H2,1-2H3/p+1/b14-3-/t17-,21-/m0/s1

SMILES

C/C=C1/C[NH+]2CCc3c([nH]c4ccccc34)[C@@](CO)(C(=O)OC)[C@H]1CC2

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:142674 chebi:142674	15alpha-stemmadenine (5E,6S,7S)-5-ethylidene-7-(hydroxymethyl)-7-(methoxycarbonyl)-1,2,3,4,5,6,7,8-octahydro-3,6-ethanoazonino[5,4-b]indol-3-ium 15alpha-stemmadenine(1+)
CHEBI:9260 chebi:9260	15alpha-stemmadenine (+)-stemmadenine 15-alpha-stemmadenine methyl (5E,6S,7S)-5-ethylidene-7-(hydroxymethyl)-1,4,5,6,7,8-hexahydro-2H-3,6-ethanoazonino[5,4-b]indole-7-carboxylate stemmadenin
seed.compound:cpd08502 seedM:cpd08502 kegg.compound:C11691 keggC:C11691	Stemmadenine
metacyc.compound:CPD-21546 metacycM:CPD-21546	stemmadenine
keggC:M_C11691 seedM:M_cpd08502	secondary/obsolete/fantasy identifier