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(Q105165613)
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English
(1R,3R,4S,5R)-1,3,4-trihydroxy-5-[3-(4-hydroxyphenyl)prop-2-enoxy]cyclohexane-1-carboxylic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
quinate
1 reference
based on heuristic
inferred from SMILES
mass
324.12090298
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(1R,3R,4S,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoxy]cyclohexane-1-carboxylic acid
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₆H₂₀O₇
0 references
canonical SMILES
O=C(O)C1(O)CC(O)C(O)C(OCC=CC2=CC=C(O)C=C2)C1
0 references
isomeric SMILES
O=C(O)[C@@]1(O)C[C@@H](O)[C@H](O)[C@H](OCC=Cc2ccc(O)cc2)C1
0 references
found in taxon
Vaccinium dunalianum
1 reference
stated in
Caffeoyl arbutin and related compounds from the buds of Vaccinium dunalianum
Identifiers
InChI
InChI=1S/C16H20O7/c17-11-5-3-10(4-6-11)2-1-7-23-13-9-16(22,15(20)21)8-12(18)14(13)19/h1-6,12-14,17-19,22H,7-9H2,(H,20,21)/t12-,13-,14+,16-/m1/s1
0 references
InChIKey
MJRRVXXKDXXMHS-HGTKMLMNSA-N
0 references
PubChem CID
162926018
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MJRRVXXKDXXMHS-HGTKMLMNSA-N
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