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(Q104989367)
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English
9-(1,3-benzodioxol-5-yl)-4-hydroxy-6,7-dimethoxy-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-1-one
group of stereoisomers with the chemical formula C₂₁H₂₀O₇
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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
384.12090298
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₀O₇
0 references
canonical SMILES
O=C1OCC2C(O)C3=CC(OC)=C(OC)C=C3C(C4=CC=C5OCOC5=C4)C12
0 references
Identifiers
InChI
InChI=1S/C21H20O7/c1-24-15-6-11-12(7-16(15)25-2)20(22)13-8-26-21(23)19(13)18(11)10-3-4-14-17(5-10)28-9-27-14/h3-7,13,18-20,22H,8-9H2,1-2H3
0 references
InChIKey
DUQMFJLPYJQVDV-UHFFFAOYSA-N
0 references
PubChem CID
162960416
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
DUQMFJLPYJQVDV-UHFFFAOYSA-N
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