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(Q105033727)
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English
10-(4-hydroxy-3,5-dimethoxyphenyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8-trien-12-one
group of stereoisomers with the chemical formula C₂₇H₃₀O₁₃
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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
562.1686410199998
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₇H₃₀O₁₃
0 references
canonical SMILES
O=C1OCC2CC3=C(OC4OC(CO)C(O)C(O)C4O)C=5OCOC5C=C3C(C6=CC(OC)=C(O)C(OC)=C6)C12
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Identifiers
InChI
InChI=1S/C27H30O13/c1-34-14-4-10(5-15(35-2)20(14)29)18-12-6-16-25(38-9-37-16)24(13(12)3-11-8-36-26(33)19(11)18)40-27-23(32)22(31)21(30)17(7-28)39-27/h4-6,11,17-19,21-23,27-32H,3,7-9H2,1-2H3
0 references
InChIKey
HUCNZRPYZDCCEF-UHFFFAOYSA-N
0 references
PubChem CID
294474
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
HUCNZRPYZDCCEF-UHFFFAOYSA-N
UniChem compound ID
22949603
1 reference
stated in
UniChem
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