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3-O-beta-D-glucosyl-trans-caffeic acid

PropertiesImage
MNX_IDMNXM45186 Image of MNXM45186
referencechebi:3293
formulaC15H18O9
global charge0
mol weight342.3
InChIKeyQOPSZFXPZWQLOG-VHCZEJTMSA-N
InChIInChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(24-10)23-9-5-7(1-3-8(9)17)2-4-11(18)19/h1-5,10,12-17,20-22H,6H2,(H,18,19)/b4-2+/t10-,12-,13+,14-,15-/m1/s1
SMILESO=C(O)/C=C/C1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C(O)C=C1
MNX internals
InChI (mnx)InChI=1/C15H18O9/c16-6-10-12(20)13(21)14(22)15(24-10)23-9-5-7(1-3-8(9)17)2-4-11(18)19/h1-5,10,12-17,20-22H,6H2,(H,18,19)/b4-2+/t10-,12-,13+,14-,15-/m1/s1 Image of MNXM45186
SMILES (mnx)[CH:1]1=[CH:3][C:8]([OH:17])=[C:9]([O:23][C@H:15]2[C@H:14]([OH:22])[C@@H:13]([OH:21])[C@H:12]([OH:20])[C@@H:10]([CH2:6][OH:16])[O:24]2)[CH:5]=[C:7]1/[CH:2]=[CH:4]/[C:11](=[O:18])[OH:19]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:3293
chebi:3293
QOPSZFXPZWQLOG-VHCZEJTMSA-N 		3-O-beta-D-glucosyl-trans-caffeic acid
(2E)-3-[3-(beta-D-glucopyranosyloxy)-4-hydroxyphenyl]prop-2-enoic acid
Caffeic acid 3-glucoside
trans-caffeic acid 3-O-beta-D-glucoside

seed.compound:cpd07319
seedM:cpd07319
sabiork.compound:12515
sabiorkM:12515
kegg.compound:C10431
keggC:C10431
QOPSZFXPZWQLOG-VHCZEJTMSA-M
QOPSZFXPZWQLOG-VHCZEJTMSA-N 		Caffeic acid 3-glucoside
hmdb:HMDB0303040
QOPSZFXPZWQLOG-VHCZEJTMSA-N 		Caffeic acid 3-glucoside
(2E)-3-(4-hydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enoic acid
3-O-b-D-Glucosyl-trans-caffeate
3-O-b-D-Glucosyl-trans-caffeic acid
3-O-beta-D-Glucosyl-trans-caffeate
3-O-beta-D-glucosyl-trans-caffeate
3-O-beta-D-glucosyl-trans-caffeic acid
Caffeate 3-glucoside
caffeic acid 3-glucoside
trans-Caffeate 3-O-b-D-glucoside
trans-Caffeate 3-O-beta-D-glucoside
trans-Caffeic acid 3-O-b-D-glucoside
trans-Caffeic acid 3-O-beta-D-glucoside

keggC:M_C10431
seedM:M_cpd07319 		secondary/obsolete/fantasy identifier