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15alpha-stemmadenine

PropertiesImage
MNX_IDMNXM4829 Image of MNXM4829
referencechebi:142674
formulaC21H27N2O3
global charge1
mol weight355.458
InChIKeyMBXJCHZRHROMQA-OSZHWHEXSA-O
InChIInChI=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
SMILESC/C=C1/C[NH+]2CCC3=C(NC4=C3C=CC=C4)[C@@](CO)(C(=O)OC)[C@H]1CC2
MNX internals
InChI (mnx)InChI=1/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/b14-3-/t17-,21-/m0/s1 Image of MNXM4829
SMILES (mnx)[CH3:1]/[CH:3]=[C:14]1/[CH2:12][N:23]2[CH2:10][CH2:8][C:16]3=[C:19]([C@@:21]([CH2:13][OH:24])([C:20](=[O:25])[O:26][CH3:2])[C@H:17]1[CH2:9][CH2:11]2)[NH:22][C:18]1=[CH:7][CH:5]=[CH:4][CH:6]=[C:15]31
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)7
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:142674
chebi:142674
MBXJCHZRHROMQA-OSZHWHEXSA-O 		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
MBXJCHZRHROMQA-OSZHWHEXSA-N 		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
MBXJCHZRHROMQA-OSZHWHEXSA-N
MBXJCHZRHROMQA-OSZHWHEXSA-O 		Stemmadenine

metacyc.compound:CPD-21546
metacycM:CPD-21546
MBXJCHZRHROMQA-OSZHWHEXSA-O 		stemmadenine

keggC:M_C11691
seedM:M_cpd08502 		secondary/obsolete/fantasy identifier