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(Q105229456)
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English
5-hydroxy-9-(4-hydroxy-3-methoxyphenyl)-4-methoxy-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
group of stereoisomers with the chemical formula C₂₁H₂₀O₈
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Statements
instance of
group of stereoisomers
0 references
subclass of
arylnaphthalene-type lignan
1 reference
inferred from
arylnaphthalene-type lignan
mass
400.1158175999998
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₁H₂₀O₈
0 references
canonical SMILES
O=C1OCC2C(O)C3=C(OC)C=4OCOC4C=C3C(C5=CC=C(O)C(OC)=C5)C12
0 references
Identifiers
InChI
InChI=1S/C21H20O8/c1-25-13-5-9(3-4-12(13)22)15-10-6-14-19(29-8-28-14)20(26-2)17(10)18(23)11-7-27-21(24)16(11)15/h3-6,11,15-16,18,22-23H,7-8H2,1-2H3
0 references
InChIKey
QWXUYXBTNJKCBY-UHFFFAOYSA-N
0 references
PubChem CID
163073807
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QWXUYXBTNJKCBY-UHFFFAOYSA-N
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