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vindoline

MNXM2874 is deprecated and here replaced by MNXM1108081
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM1108081

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

formula

C₂₅H₃₃N₂O₆

charge

mass

457.23331

reference

chebi:57753

InChIKey

CXBGOBGJHGGWIE-ACSXSLCXSA-O

InChI

InChI=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

SMILES

CC[C@]12C=CC[NH+]3CC[C@@]4(c5ccc(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57753 chebi:57753	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+)
seed.compound:cpd01143 seedM:cpd01143	Vindoline vindoline
metacyc.compound:VINDOLINE metacycM:VINDOLINE	vindoline
CHEBI:16380 chebi:16380	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 seedM:M_cpd01143	secondary/obsolete/fantasy identifier