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vindoline

MNXM2874 is deprecated and here replaced by MNXM1108081
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1108081 Image of MNXM1108081
referencechebi:57753
formulaC25H33N2O6
global charge1
mol weight457.547
InChIKeyCXBGOBGJHGGWIE-ACSXSLCXSA-O
InChIInChI=1S/C25H32N2O6/c1-6-23-10-7-12-27-13-11-24(19(23)27)17-9-8-16(31-4)14-18(17)26(3)20(24)25(30,22(29)32-5)21(23)33-15(2)28/h7-10,14,19-21,30H,6,11-13H2,1-5H3/p+1/t19-,20+,21+,23+,24+,25-/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]1OC(C)=O)[C@@H]32
MNX internals
InChI (mnx)InChI=1/C25H32N2O6/c1-6-23-10-7-12-27-13-11-24(19(23)27)17-9-8-16(31-4)14-18(17)26(3)20(24)25(30,22(29)32-5)21(23)33-15(2)28/h7-10,14,19-21,30H,6,11-13H2,1-5H3/t19-,20+,21+,23+,24+,25-/m0/s1 Image of MNXM1108081
SMILES (mnx)[CH3:1][CH2:6][C@:23]12[CH:10]=[CH:7][CH2:12][N:27]3[CH2:13][CH2:11][C@@:24]4([C:17]5=[CH:9][CH:8]=[C:16]([O:31][CH3:4])[CH:14]=[C:18]5[N:26]([CH3:3])[C@H:20]4[C@:25]([C:22](=[O:29])[O:32][CH3:5])([OH:30])[C@@H:21]1[O:33][C:15]([CH3:2])=[O:28])[C@H:19]23
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:57753
chebi:57753
CXBGOBGJHGGWIE-ACSXSLCXSA-O 		vindoline
(2beta,3beta,4beta,5alpha,12beta,19alpha)-4-acetoxy-3-hydroxy-16-methoxy-3-(methoxycarbonyl)-1-methyl-6,7-didehydroaspidospermidin-9-ium
4beta-acetoxy-3beta-hydroxy-16-methoxy-3-(methoxycarbonyl)-1-methyl-6,7-didehydro-2beta,5alpha,12beta,19alpha-aspidospermidin-9-ium
methyl 4beta-acetyloxy-3beta-hydroxy-16-methoxy-1-methyl-6,7-didehydro-2beta,5alpha,12beta,19alpha-aspidospermidin-9-ium-3alpha-carboxylate
vindolinium cation
vindolinium(1+)

sabiork.compound:5709
sabiorkM:5709
kegg.compound:C01626
keggC:C01626
CXBGOBGJHGGWIE-ACSXSLCXSA-N 		Vindoline

seed.compound:cpd01143
seedM:cpd01143
CXBGOBGJHGGWIE-ACSXSLCXSA-O 		Vindoline
vindoline

metacyc.compound:VINDOLINE
metacycM:VINDOLINE
CXBGOBGJHGGWIE-ACSXSLCXSA-O 		vindoline

CHEBI:16380
chebi:16380
CXBGOBGJHGGWIE-ACSXSLCXSA-N 		vindoline
Vindoline
methyl 4beta-acetyloxy-3beta-hydroxy-16-methoxy-1-methyl-6,7-didehydro-2beta,5alpha,12beta,19alpha-aspidospermidine-3alpha-carboxylate

chebi:15309
chebi:27290
chebi:9988
keggC:M_C01626
seedM:M_cpd01143 		secondary/obsolete/fantasy identifier