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4,21-dehydrogeissoschizine

MNXM2080 is deprecated and here replaced by MNXM1368748
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1368748 Image of MNXM1368748
referencechebi:17294
formulaC21H23N2O3
global charge1
mol weight351.426
InChIKeyCUHFIPBCFIPFJM-JXSBNBLESA-O
InChIInChI=1S/C21H22N2O3/c1-3-13-11-23-9-8-15-14-6-4-5-7-18(14)22-20(15)19(23)10-16(13)17(12-24)21(25)26-2/h3-7,11-12,16,19,22H,8-10H2,1-2H3/p+1/b13-3-/t16-,19-/m0/s1
SMILESC/C=C1/C=[N+]2CCC3=C(NC4=C3C=CC=C4)[C@@H]2C[C@@H]1/C(=C/O)C(=O)OC
MNX internals
InChI (mnx)InChI=1/C21H22N2O3/c1-3-13-11-23-9-8-15-14-6-4-5-7-18(14)22-20(15)19(23)10-16(13)17(12-24)21(25)26-2/h3-7,11-12,16,19,22H,8-10H2,1-2H3/b13-3-/t16-,19-/m0/s1 Image of MNXM1368748
SMILES (mnx)[CH3:1]/[CH:3]=[C:13]1/[CH:11]=[N+:23]2[CH2:9][CH2:8][C:15]3=[C:20]([C@@H:19]2[CH2:10][C@@H:16]1[C:17](=[CH:12][O-:24])[C:21](=[O:25])[O:26][CH3:2])[NH:22][C:18]1=[CH:7][CH:5]=[CH:4][CH:6]=[C:14]31
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:17294
chebi:17294
CUHFIPBCFIPFJM-JXSBNBLESA-O 		4,21-dehydrogeissoschizine
4,21-Dehydrogeissoschizine
methyl (19E)-16-(hydroxymethylidene)-4,21-didehydrocoryn-19-en-4-ium-17-oate
methyl (19E)-16-(hydroxymethylidene)coryna-4(21),19-dien-4-ium-17-oate

kegg.compound:C03677
keggC:C03677
CUHFIPBCFIPFJM-JXSBNBLESA-O 		4,21-Dehydrogeissoschizine

metacyc.compound:421-DEHYDROGEISSOSCHIZINE
metacycM:421-DEHYDROGEISSOSCHIZINE
CUHFIPBCFIPFJM-JXSBNBLESA-O 		4,21-dehydrogeissoschizine

chebi:11918
chebi:1738
chebi:20259
chebi:58094
keggC:M_C03677 		secondary/obsolete/fantasy identifier