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

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Vicianin

	Properties	Image
MNX_ID	MNXM735872
reference	chebi:166510
formula	C₁₉H₂₅NO₁₀
global charge	0
mol weight	427.406
InChIKey	YYYCJNDALLBNEG-GNRUMFBNSA-N
InChI	InChI=1S/C19H25NO10/c20-6-11(9-4-2-1-3-5-9)29-19-17(26)15(24)14(23)12(30-19)8-28-18-16(25)13(22)10(21)7-27-18/h1-5,10-19,21-26H,7-8H2/t10-,11-,12+,13-,14+,15-,16+,17+,18-,19+/m0/s1
SMILES	N#C[C@H](O[C@@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)C1=CC=CC=C1

MNX internals

InChI (mnx)	InChI=1/C19H25NO10/c20-6-11(9-4-2-1-3-5-9)29-19-17(26)15(24)14(23)12(30-19)8-28-18-16(25)13(22)10(21)7-27-18/h1-5,10-19,21-26H,7-8H2/t10-,11-,12+,13-,14+,15-,16+,17+,18-,19+/m0/s1
SMILES (mnx)	[CH:1]1=[CH:2][CH:4]=[C:9]([C@H:11]([C:6]#[N:20])[O:29][C@H:19]2[C@H:17]([OH:26])[C@@H:15]([OH:24])[C@H:14]([OH:23])[C@@H:12]([CH2:8][O:28][C@H:18]3[C@H:16]([OH:25])[C@@H:13]([OH:22])[C@@H:10]([OH:21])[CH2:7][O:27]3)[O:30]2)[CH:5]=[CH:3]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:166510 chebi:166510 YYYCJNDALLBNEG-GNRUMFBNSA-N	Vicianin (2R)-2-phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyacetonitrile
seed.compound:cpd01287 seedM:cpd01287 YYYCJNDALLBNEG-GNRUMFBNSA-N	(R)-Vicianin R-vicianin Vicianin [mandelonitrile beta-vicianoside (6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside)]
metacyc.compound:R-VICIANIN metacycM:R-VICIANIN YYYCJNDALLBNEG-GNRUMFBNSA-N	R-vicianin [mandelonitrile beta-vicianoside (6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside)]
kegg.compound:C01870 keggC:C01870 YYYCJNDALLBNEG-GNRUMFBNSA-N	Vicianin (R)-Vicianin
keggC:M_C01870 seedM:M_cpd01287	secondary/obsolete/fantasy identifier