MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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vinorine

	Properties	Image
MNX_ID	MNXM1371436
reference	chebi:16791
formula	C₂₁H₂₂N₂O₂
global charge	0
mol weight	334.419
InChIKey	CLDVMRAEPFQOSD-WEOXKLFPSA-N
InChI	InChI=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
SMILES	C/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
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
Identifier	Description
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