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(Q115784868)
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English
(E)-3-[4-hydroxy-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
3-(4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enoic acid
1 reference
based on heuristic
inferred from SMILES
mass
342.095082156
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
caffeic acid 3-glucoside
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₁₈O₉
0 references
canonical SMILES
O=C(O)C=CC1=CC=C(O)C(OC2OC(CO)C(O)C(O)C2O)=C1
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isomeric SMILES
O=C(O)/C=C/c1ccc(O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)c1
0 references
found in taxon
Perilla frutescens
1 reference
stated in
Identification and quantitation of phenolic compounds from the seed and pomace of Perilla frutescens using HPLC/PDA and HPLC-ESI/QTOF/MS/MS
Identifiers
InChI
InChI=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
0 references
InChIKey
QOPSZFXPZWQLOG-DCKIAYDVSA-N
0 references
PubChem CID
162933487
1 reference
stated in
PubChem
retrieved
21 December 2022
based on heuristic
inferred from InChIKey
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