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vinorine

MNXM2441 is deprecated and here replaced by MNXM1371436
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1371436 Image of MNXM1371436
referencechebi:16791
formulaC21H22N2O2
global charge0
mol weight334.419
InChIKeyCLDVMRAEPFQOSD-WEOXKLFPSA-N
InChIInChI=1S/C21H22N2O2/c1-3-12-10-23-16-8-13(12)18-17(23)9-21(20(18)25-11(2)24)14-6-4-5-7-15(14)22-19(16)21/h3-7,13,16-18,20H,8-10H2,1-2H3/b12-3-/t13-,16-,17-,18?,20+,21+/m0/s1
SMILESC/C=C1/CN2C3C[C@@H]1C1[C@@H](OC(C)=O)[C@@]4(C[C@@H]12)C3=NC1=C4C=CC=C1
MNX internals
InChI (mnx)InChI=1/C21H22N2O2/c1-3-12-10-23-16-8-13(12)18-17(23)9-21(20(18)25-11(2)24)14-6-4-5-7-15(14)22-19(16)21/h3-7,13,16-18,20H,8-10H2,1-2H3/b12-3-/t13-,16-,17-,18?,20+,21+/m0/s1 Image of MNXM1371436
SMILES (mnx)[CH3:1]/[CH:3]=[C:12]1/[CH2:10][N:23]2[C@H:16]3[CH2:8][C@@H:13]1[CH:18]1[C@@H:17]2[CH2:9][C@:21]2([C:14]4=[CH:6][CH:4]=[CH:5][CH:7]=[C:15]4[N:22]=[C:19]32)[C@@H:20]1[O:25][C:11]([CH3:2])=[O:24]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:16791
chebi:16791
CLDVMRAEPFQOSD-WEOXKLFPSA-N 		vinorine
22-norajmala-1,19-dien-17alpha-yl acetate
Vinorine

kegg.compound:C11807
keggC:C11807
vmhM:vnrn
vmhmetabolite:vnrn
CLDVMRAEPFQOSD-WEOXKLFPSA-N 		Vinorine

seed.compound:cpd08611
seedM:cpd08611
CLDVMRAEPFQOSD-WEOXKLFPSA-N 		Vinorine
vinorine

chebi:15310
chebi:9989
keggC:M_C11807
seedM:M_cpd08611
vmhM:M_vnrn 		secondary/obsolete/fantasy identifier