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1-O-[(E)-caffeoyl]-beta-D-glucose

PropertiesImage
MNX_IDMNXM32738 Image of MNXM32738
referencechebi:614
formulaC15H18O9
global charge0
mol weight342.3
InChIKeyWQSDYZZEIBAPIN-VBQORRLJSA-N
InChIInChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+/t10-,12-,13+,14-,15+/m1/s1
SMILESO=C(/C=C/C1=CC(O)=C(O)C=C1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+/t10-,12-,13+,14-,15+/m1/s1 Image of MNXM32738
SMILES (mnx)[CH:1]1=[CH:3][C:8]([OH:17])=[C:9]([OH:18])[CH:5]=[C:7]1/[CH:2]=[CH:4]/[C:11](=[O:19])[O:24][C@H:15]1[C@H:14]([OH:22])[C@@H:13]([OH:21])[C@H:12]([OH:20])[C@@H:10]([CH2:6][OH:16])[O:23]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:614
chebi:614
WQSDYZZEIBAPIN-VBQORRLJSA-N 		1-O-[(E)-caffeoyl]-beta-D-glucose
1-O-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranose
1-caffeoyl-beta-D-glucose

sabiork.compound:12517
sabiorkM:12517
kegg.compound:C10433
keggC:C10433
WQSDYZZEIBAPIN-VBQORRLJSA-N 		1-Caffeoyl-beta-D-glucose

seed.compound:cpd07321
seedM:cpd07321
WQSDYZZEIBAPIN-VBQORRLJSA-N 		1-Caffeoyl-beta-D-glucose
1-O-caffeoyl-beta-D-glucose
1-caffeoyl-beta-D-glucose
hmdb:HMDB0302440
WQSDYZZEIBAPIN-VBQORRLJSA-N 		1-O-Caffeoyl-beta-D-glucose
(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
1-Caffeoyl-b-D-glucose
1-Caffeoyl-beta-D-glucose
1-O-(trans-Caffeoyl)-b-D-glucose
1-O-(trans-Caffeoyl)-beta-D-glucose
1-O-Caffeoyl-b-D-glucose
1-O-[(e)-Caffeoyl]-b-D-glucose
1-O-[(e)-Caffeoyl]-beta-D-glucose
1-caffeoyl-beta-D-glucose

metacyc.compound:CPD-16550
metacycM:CPD-16550
WQSDYZZEIBAPIN-VBQORRLJSA-N 		1-O-caffeoyl-beta-D-glucose
1-caffeoyl-beta-D-glucose

keggC:M_C10433
seedM:M_cpd07321 		secondary/obsolete/fantasy identifier