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16-methoxytabersonine

MNXM2460 is deprecated and here replaced by MNXM1368846
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1368846 Image of MNXM1368846
referencechebi:58930
formulaC22H27N2O3
global charge1
mol weight367.469
InChIKeyAEXBRBWRPNGGEZ-FKBYEOEOSA-O
InChIInChI=1S/C22H26N2O3/c1-4-21-8-5-10-24-11-9-22(20(21)24)16-7-6-14(26-2)12-17(16)23-18(22)15(13-21)19(25)27-3/h5-8,12,20,23H,4,9-11,13H2,1-3H3/p+1/t20-,21-,22-/m0/s1
SMILESCC[C@]12C=CC[NH+]3CC[C@@]4(C5=C(C=C(OC)C=C5)NC4=C(C(=O)OC)C1)[C@@H]32
MNX internals
InChI (mnx)InChI=1/C22H26N2O3/c1-4-21-8-5-10-24-11-9-22(20(21)24)16-7-6-14(26-2)12-17(16)23-18(22)15(13-21)19(25)27-3/h5-8,12,20,23H,4,9-11,13H2,1-3H3/t20-,21-,22-/m0/s1 Image of MNXM1368846
SMILES (mnx)[CH3:1][CH2:4][C@:21]12[CH:8]=[CH:5][CH2:10][N:24]3[CH2:11][CH2:9][C@@:22]4([C:16]5=[CH:7][CH:6]=[C:14]([O:26][CH3:2])[CH:12]=[C:17]5[NH:23][C:18]4=[C:15]([C:19](=[O:25])[O:27][CH3:3])[CH2:13]1)[C@H:20]23
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:58930
chebi:58930
AEXBRBWRPNGGEZ-FKBYEOEOSA-O 		16-methoxytabersonine
16-methoxytabersoninium cation
16-methoxytabersoninium(1+)
methyl 16-methoxy-2,3,6,7-tetradehydro-5alpha,12beta,19alpha-aspidospermidin-9-ium-3-carboxylate

kegg.compound:C11675
keggC:C11675
vmhM:16mtabson
vmhmetabolite:16mtabson
AEXBRBWRPNGGEZ-FKBYEOEOSA-N 		16-Methoxytabersonine

metacyc.compound:CPD-7164
metacycM:CPD-7164
AEXBRBWRPNGGEZ-FKBYEOEOSA-O 		16-methoxytabersonine

CHEBI:769
chebi:769
AEXBRBWRPNGGEZ-FKBYEOEOSA-N 		16-methoxytabersonine
16-Methoxytabersonine
methyl 16-methoxy-2,3,6,7-tetradehydro-5alpha,12beta,19alpha-aspidospermidine-3-carboxylate

keggC:M_C11675
vmhM:M_16mtabson 		secondary/obsolete/fantasy identifier