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(Q105170578)
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English
(2R,3S)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-carboxylic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
2,3-Dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxybenzofuran-5-carboxylic acid
1 reference
based on heuristic
inferred from SMILES
mass
346.105252916
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₁₈O₇
0 references
canonical SMILES
O=C(O)C1=CC(OC)=C2OC(C3=CC=C(O)C(OC)=C3)C(C2=C1)CO
0 references
isomeric SMILES
COc1cc([C@@H]2Oc3c(OC)cc(C(=O)O)cc3[C@H]2CO)ccc1O
0 references
found in taxon
Isatis quadrialata
1 reference
stated in
Dihydrobenzofuran lignans from Boreava orientalis
Identifiers
InChI
InChI=1S/C18H18O7/c1-23-14-6-9(3-4-13(14)20)16-12(8-19)11-5-10(18(21)22)7-15(24-2)17(11)25-16/h3-7,12,16,19-20H,8H2,1-2H3,(H,21,22)/t12-,16+/m1/s1
0 references
InChIKey
MRHRLMTUTXWEQP-WBMJQRKESA-N
0 references
PubChem CID
86294790
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MRHRLMTUTXWEQP-WBMJQRKESA-N
UniChem compound ID
98012219
1 reference
stated in
UniChem
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