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(Q105182750)
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English
6,7-Dihydroxy-3-methoxy-8-[2-oxo-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-8-yl]chromen-2-one
group of stereoisomers with the chemical formula C₂₅H₂₂O₁₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
biogenic coumarin
1 reference
inferred from
biogenic coumarin
mass
530.1060407639997
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₅H₂₂O₁₃
0 references
canonical SMILES
O=C1OC2=C(C=C1)C=CC(OC3OC(CO)C(O)C(O)C3O)=C2C=4C(O)=C(O)C=C5C=C(OC)C(=O)OC54
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Identifiers
InChI
InChI=1S/C25H22O13/c1-34-13-7-10-6-11(27)18(29)17(23(10)38-24(13)33)16-12(4-2-9-3-5-15(28)37-22(9)16)35-25-21(32)20(31)19(30)14(8-26)36-25/h2-7,14,19-21,25-27,29-32H,8H2,1H3
0 references
InChIKey
NOSNPRHQZMFYES-UHFFFAOYSA-N
0 references
PubChem CID
162987693
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
NOSNPRHQZMFYES-UHFFFAOYSA-N
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