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

MNXM1304 is deprecated and here replaced by MNXM1106720
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1106720 Image of MNXM1106720
referencechebi:16546
formulaC17H22O10
global charge0
mol weight386.353
InChIKeyXRKBRPFTFKKHEF-DGDBGZAXSA-N
InChIInChI=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
SMILESCOC1=CC(/C=C/C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=CC(OC)=C1O
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM1106720
SMILES (mnx)[CH3:1][O:24][C:9]1=[C:13]([OH:20])[C:10]([O:25][CH3:2])=[CH:6][C:8](/[CH:3]=[CH:4]/[C:12](=[O:19])[O:27][C@H:17]2[C@H:16]([OH:23])[C@@H:15]([OH:22])[C@H:14]([OH:21])[C@@H:11]([CH2:7][OH:18])[O:26]2)=[CH:5]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)28
in models (compartimentalized) 7
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:16546
chebi:16546
XRKBRPFTFKKHEF-DGDBGZAXSA-N 		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
hmdb:HMDB0302379
XRKBRPFTFKKHEF-DGDBGZAXSA-N 		1-O-Sinapoyl-beta-D-glucose
(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
(e)-(2S,3R,4S,5S,6R)-TETRAHYDRO-3,4,5-trihydroxy-6-(hydroxymethyl)-2H-pyran-2-yl 3-(4-hydroxy-3,5-dimethoxyphenyl)acrylATE
(e)-(2S,3R,4S,5S,6R)-TETRAHYDRO-3,4,5-trihydroxy-6-(hydroxymethyl)-2H-pyran-2-yl 3-(4-hydroxy-3,5-dimethoxyphenyl)acrylic acid
1-O-(trans-Sinapoyl)-b-D-glucose
1-O-(trans-Sinapoyl)-beta-D-glucose
1-O-Sinapoyl b-D-glucoside
1-O-Sinapoyl beta-D-glucoside
1-O-Sinapoyl-b-D-glucose
1-O-[(2E)-Sinapoyl]-b-D-glucopyranose
1-O-[(2E)-Sinapoyl]-b-D-glucose
1-O-[(2E)-Sinapoyl]-beta-D-glucopyranose
1-O-[(2E)-Sinapoyl]-beta-D-glucose
1-O-[(e)-Sinapoyl]-b-D-glucopyranose
1-O-[(e)-Sinapoyl]-beta-D-glucopyranose
1-O-sinapoyl-beta-D-glucose

kegg.compound:C01175
keggC:C01175
XRKBRPFTFKKHEF-DGDBGZAXSA-N 		1-O-Sinapoyl-beta-D-glucose
1-O-Sinapoyl beta-D-glucoside

seed.compound:cpd00865
seedM:cpd00865
XRKBRPFTFKKHEF-DGDBGZAXSA-N 		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
XRKBRPFTFKKHEF-DGDBGZAXSA-N 		1-O-sinapoyl-beta-D-glucose
1-O-sinapoyl beta-D-glucoside

sabiork.compound:2584
sabiorkM:2584
XRKBRPFTFKKHEF-CNMVGKJOSA-N 		1-Sinapoyl-D-glucose

CHEBI:18428
chebi:18428
XRKBRPFTFKKHEF-CNMVGKJOSA-N 		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