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deacetoxyvindoline

PropertiesImage
MNX_IDMNXM1920 Image of MNXM1920
referencechebi:57965
formulaC23H31N2O4
global charge1
mol weight399.511
InChIKeyWNKDGPXNFMMOEJ-RNJSZURPSA-O
InChIInChI=1S/C23H30N2O4/c1-5-21-9-6-11-25-12-10-22(18(21)25)16-8-7-15(28-3)13-17(16)24(2)19(22)23(27,14-21)20(26)29-4/h6-9,13,18-19,27H,5,10-12,14H2,1-4H3/p+1/t18-,19+,21-,22+,23+/m0/s1
SMILESCC[C@]12C=CC[NH+]3CC[C@@]4(C5=C(C=C(OC)C=C5)N(C)[C@H]4[C@@](O)(C(=O)OC)C1)[C@@H]32
MNX internals
InChI (mnx)InChI=1/C23H30N2O4/c1-5-21-9-6-11-25-12-10-22(18(21)25)16-8-7-15(28-3)13-17(16)24(2)19(22)23(27,14-21)20(26)29-4/h6-9,13,18-19,27H,5,10-12,14H2,1-4H3/t18-,19+,21-,22+,23+/m0/s1 Image of MNXM1920
SMILES (mnx)[CH3:1][CH2:5][C@:21]12[CH:9]=[CH:6][CH2:11][N:25]3[CH2:12][CH2:10][C@@:22]4([C:16]5=[CH:8][CH:7]=[C:15]([O:28][CH3:3])[CH:13]=[C:17]5[N:24]([CH3:2])[C@H:19]4[C@:23]([C:20](=[O:26])[O:29][CH3:4])([OH:27])[CH2:14]1)[C@H:18]23
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:57965
chebi:57965
WNKDGPXNFMMOEJ-RNJSZURPSA-O 		deacetoxyvindoline
(2beta,3beta,5alpha,12beta,19alpha)-3-hydroxy-16-methoxy-3-(methoxycarbonyl)-1-methyl-6,7-didehydroaspidospermidin-9-ium
deacetoxyvindolinium cation
deacetoxyvindolinium(1+)
methyl 3beta-hydroxy-16-methoxy-1-methyl-6,7-didehydro-2beta,5alpha,12beta,19alpha-aspidospermidin-9-ium-3alpha-carboxylate

vmhM:dactxvndln
vmhmetabolite:dactxvndln
WNKDGPXNFMMOEJ-RNJSZURPSA-N 		Deacetoxyvindoline

seed.compound:cpd01736
seedM:cpd01736
WNKDGPXNFMMOEJ-RNJSZURPSA-O 		Deacetoxyvindoline
16-Methoxy-2,3-dihydro-3-hydroxy-N-methyltabersonine
Desacetoxyvindoline
deacetoxyvindoline
desacetoxyvindoline

kegg.compound:C02673
keggC:C02673
WNKDGPXNFMMOEJ-RNJSZURPSA-N 		Desacetoxyvindoline
16-Methoxy-2,3-dihydro-3-hydroxy-N-methyltabersonine
Deacetoxyvindoline

CHEBI:16957
chebi:16957
WNKDGPXNFMMOEJ-RNJSZURPSA-N 		deacetoxyvindoline
16-Methoxy-2,3-dihydro-3-hydroxy-N-methyltabersonine
Deacetoxyvindoline
Desacetoxyvindoline
methyl 3beta-hydroxy-16-methoxy-1-methyl-6,7-didehydro-2beta,5alpha,12beta,19alpha-aspidospermidine-3alpha-carboxylate

metacyc.compound:DEACETOXYVINDOLINE
metacycM:DEACETOXYVINDOLINE
WNKDGPXNFMMOEJ-RNJSZURPSA-O 		deacetoxyvindoline
desacetoxyvindoline

chebi:14098
chebi:14128
chebi:23563
chebi:4442
keggC:M_C02673
seedM:M_cpd01736
vmhM:M_dactxvndln 		secondary/obsolete/fantasy identifier