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4-O-deacetylvindoline

MNXM1518 is deprecated and here replaced by MNXM729452
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM729452 Image of MNXM729452
referencechebi:58461
formulaC23H31N2O5
global charge1
mol weight415.51
InChIKeyZDKMPOJNYNVYLA-PEGGBQQISA-O
InChIInChI=1S/C23H30N2O5/c1-5-21-9-6-11-25-12-10-22(17(21)25)15-8-7-14(29-3)13-16(15)24(2)18(22)23(28,19(21)26)20(27)30-4/h6-9,13,17-19,26,28H,5,10-12H2,1-4H3/p+1/t17-,18+,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)[C@@H]1O)[C@@H]32
MNX internals
InChI (mnx)InChI=1/C23H30N2O5/c1-5-21-9-6-11-25-12-10-22(17(21)25)15-8-7-14(29-3)13-16(15)24(2)18(22)23(28,19(21)26)20(27)30-4/h6-9,13,17-19,26,28H,5,10-12H2,1-4H3/t17-,18+,19+,21+,22+,23-/m0/s1 Image of MNXM729452
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:15]5=[CH:8][CH:7]=[C:14]([O:29][CH3:3])[CH:13]=[C:16]5[N:24]([CH3:2])[C@H:18]4[C@:23]([C:20](=[O:27])[O:30][CH3:4])([OH:28])[C@@H:19]1[OH:26])[C@H:17]23
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:58461
chebi:58461
ZDKMPOJNYNVYLA-PEGGBQQISA-O 		4-O-deacetylvindoline
(2beta,3beta,4beta,5alpha,12beta,19alpha)-3,4-dihydroxy-16-methoxy-3-(methoxycarbonyl)-1-methyl-6,7-didehydroaspidospermidin-9-ium
17-O-deacetylvindolinium
methyl 3beta,4beta-dihydroxy-16-methoxy-1-methyl-6,7-didehydro-2beta,5alpha,12beta,19alpha-aspidospermidin-9-ium-3alpha-carboxylate

CHEBI:18362
chebi:18362
ZDKMPOJNYNVYLA-PEGGBQQISA-N 		17-O-deacetylvindoline
17-O-Deacetylvindoline
Deacetylvindoline
Desacetylvindoline
methyl (2beta,3beta,4beta,5alpha,12beta,19alpha)-3,4-dihydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidine-3-carboxylate
methyl 3beta,4beta-dihydroxy-16-methoxy-1-methyl-6,7-didehydro-2beta,5alpha,12beta,19alpha-aspidospermidine-3alpha-carboxylate

metacyc.compound:17-O-DEACETYLVINDOLINE
metacycM:17-O-DEACETYLVINDOLINE
ZDKMPOJNYNVYLA-PEGGBQQISA-O 		17-O-deacetylvindoline
deacetylvindoline

vmhM:deacvind
vmhmetabolite:deacvind
ZDKMPOJNYNVYLA-PEGGBQQISA-N 		Deacetylvindoline

seed.compound:cpd00799
seedM:cpd00799
ZDKMPOJNYNVYLA-PEGGBQQISA-O 		Deacetylvindoline
17-O-Deacetylvindoline
17-O-deacetylvindoline
Desacetylvindoline
deacetylvindoline

kegg.compound:C01091
keggC:C01091
ZDKMPOJNYNVYLA-PEGGBQQISA-N 		Deacetylvindoline
17-O-Deacetylvindoline
Desacetylvindoline

chebi:11336
chebi:14129
chebi:19167
chebi:4339
keggC:M_C01091
seedM:M_cpd00799
vmhM:M_deacvind 		secondary/obsolete/fantasy identifier