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(Q105023682)
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English
(1r,3R,4s,5S)-4-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,3,5-trihydroxycyclohexane-1-carboxylic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
4-Caffeoylquinic acid;4-O-Caffeoylquinic acid
1 reference
based on heuristic
inferred from SMILES
mass
354.095082156
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₁₈O₉
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canonical SMILES
O=C(O)C1(O)CC(O)C(OC(=O)C=CC2=CC=C(O)C(O)=C2)C(O)C1
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isomeric SMILES
O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@@H](O)C[C@](O)(C(=O)O)C[C@H]1O
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found in taxon
Camellia crassicolumna
1 reference
stated in
Phenolic antioxidants from green tea produced from Camellia crassicolumna Var. multiplex
Camellia crassicolumna var. multiplex
1 reference
stated in
Phenolic antioxidants from green tea produced from Camellia crassicolumna Var. multiplex
Identifiers
InChI
InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12+,14-,16+
0 references
InChIKey
GYFFKZTYYAFCTR-UCEFVAKBSA-N
0 references
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