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1,2-di-O-sinapoyl beta-D-glucose

Properties

Image

Occurences in reactions

MNX_ID

MNXM4216

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	1

formula

C₂₈H₃₂O₁₄

charge

mass

592.17921

reference

chebi:27993

InChIKey

KQDOTXAUJBODDM-STUNQXDBSA-N

InChI

InChI=1S/C28H32O14/c1-36-16-9-14(10-17(37-2)23(16)32)5-7-21(30)41-27-26(35)25(34)20(13-29)40-28(27)42-22(31)8-6-15-11-18(38-3)24(33)19(12-15)39-4/h5-12,20,25-29,32-35H,13H2,1-4H3/b7-5+,8-6+/t20-,25-,26+,27-,28+/m1/s1

SMILES

COc1cc(/C=C/C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)/C=C/c2cc(OC)c(O)c(OC)c2)cc(OC)c1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:27993 chebi:27993	1,2-di-O-sinapoyl beta-D-glucose 1,2-Bis-O-sinapoyl-beta-D-glucoside 1,2-bis-O-sinapoyl-beta-D-glucoside 1,2-di-O-sinapoyl-beta-D-glucose 1-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]-2-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]-beta-D-glucopyranose sinapoyl 2-O-sinapoyl-beta-D-glucoside
kegg.compound:C04275 keggC:C04275	1,2-Bis-O-sinapoyl-beta-D-glucose 1,2-Bis-O-sinapoyl-beta-D-glucoside
seed.compound:cpd02622 seedM:cpd02622	1,2-Bis-O-sinapoyl-beta-D-glucoside 1,2-bis-O-sinapoyl-beta-D-glucoside 1,2-di-O-sinapoyl-beta-D-glucose
metacyc.compound:12-BIS-O-SINAPOYL-BETA-D-GLUCOSIDE metacycM:12-BIS-O-SINAPOYL-BETA-D-GLUCOSIDE	1,2-di-O-sinapoyl-beta-D-glucose 1,2-bis-O-sinapoyl-beta-D-glucoside
chebi:11142 chebi:18870 chebi:487 keggC:M_C04275 seedM:M_cpd02622	secondary/obsolete/fantasy identifier