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(Q110184401)
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4-Sinapoylquinic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
alkyl caffeate ester
1 reference
based on heuristic
inferred from SMILES
mass
398.121296904
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
4-O-sinapoylquinic acid
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₈H₂₂O₁₀
0 references
canonical SMILES
O=C(O)C1(O)CC(O)C(OC(=O)C=CC2=CC(OC)=C(O)C(OC)=C2)C(O)C1
0 references
isomeric SMILES
COc1cc(/C=C/C(=O)OC2[C@H](O)CC(O)(C(=O)O)C[C@H]2O)cc(OC)c1O
0 references
found in taxon
Gardenia jasminoides
1 reference
stated in
Profiling and characterisation by liquid chromatography/multi-stage mass spectrometry of the chlorogenic acids in Gardeniae Fructus
Identifiers
InChI
InChI=1S/C18H22O10/c1-26-12-5-9(6-13(27-2)15(12)22)3-4-14(21)28-16-10(19)7-18(25,17(23)24)8-11(16)20/h3-6,10-11,16,19-20,22,25H,7-8H2,1-2H3,(H,23,24)/b4-3+/t10-,11-,16?,18?/m1/s1
0 references
InChIKey
WKRKXTOYTASIOP-YPUOWVPESA-N
0 references
PubChem CID
72193643
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
WKRKXTOYTASIOP-YPUOWVPESA-N
UniChem compound ID
69976563
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID501341751
1 reference
matched by identifier from
InChIKey
InChIKey
WKRKXTOYTASIOP-YPUOWVPESA-N
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