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1-O-(trans-sinapoyl)-beta-D-glucose

Properties

Image

Occurences in reactions

MNX_ID

MNXM1106720

	#reac
in my sandbox	0
in MNXref (generic)	21
in models (compartimentalized)	7

formula

C₁₇H₂₂O₁₀

charge

mass

386.1213

reference

chebi:16546

InChIKey

XRKBRPFTFKKHEF-DGDBGZAXSA-N

InChI

InChI=1S/C17H22O10/c1-24-9-5-8(6-10(25-2)13(9)20)3-4-12(19)27-17-16(23)15(22)14(21)11(7-18)26-17/h3-6,11,14-18,20-23H,7H2,1-2H3/b4-3+/t11-,14-,15+,16-,17+/m1/s1

SMILES

COc1cc(/C=C/C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:16546 chebi:16546	1-O-(trans-sinapoyl)-beta-D-glucose (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl beta-D-glucopyranoside (E)-(2S,3R,4S,5S,6R)-TETRAHYDRO-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)-2H-PYRAN-2-YL 3-(4-HYDROXY-3,5-DIMETHOXYPHENYL)ACRYLATE 1-O-Sinapoyl beta-D-glucoside 1-O-Sinapoyl-beta-D-glucose 1-O-[(2E)-sinapoyl]-beta-D-glucopyranose 1-O-[(2E)-sinapoyl]-beta-D-glucose 1-O-[(E)-sinapoyl]-beta-D-glucopyranose 1-O-sinapoyl-beta-D-glucose
kegg.compound:C01175 keggC:C01175	1-O-Sinapoyl-beta-D-glucose 1-O-Sinapoyl beta-D-glucoside
seed.compound:cpd00865 seedM:cpd00865	1-O-Sinapoyl-beta-D-glucose 1-O-Sinapoyl beta-D-glucoside 1-O-sinapoyl beta-D-glucoside 1-O-sinapoyl-beta-D-glucose
metacyc.compound:1-O-SINAPOYL-BETA-D-GLUCOSE metacycM:1-O-SINAPOYL-BETA-D-GLUCOSE	1-O-sinapoyl-beta-D-glucose 1-O-sinapoyl beta-D-glucoside
sabiork.compound:2584 sabiorkM:2584	1-Sinapoyl-D-glucose
CHEBI:18428 chebi:18428	sinapoyl D-glucoside (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl D-glucopyranoside 1-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]-D-glucopyranose 1-Sinapoyl-D-glucose 4-O-beta-D-Glucosyl-sinapate
chebi:11218 chebi:11219 chebi:11298 chebi:18986 chebi:45550 chebi:657 chebi:658 chebi:688 keggC:M_C01175 seedM:M_cpd00865	secondary/obsolete/fantasy identifier