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(Q105144895)
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English
[2-[2,3-Dihydroxy-5-(3,5,7-trihydroxy-4-oxochromen-2-yl)phenoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxybenzoate
group of stereoisomers with the chemical formula C₂₈H₂₄O₁₇
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Statements
instance of
group of stereoisomers
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subclass of
flavone
1 reference
inferred from
flavone
mass
632.1013493079998
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₈H₂₄O₁₇
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canonical SMILES
O=C(OC1C(O)C(O)C(OC1OC=2C=C(C=C(O)C2O)C=3OC=4C=C(O)C=C(O)C4C(=O)C3O)CO)C5=CC(O)=C(O)C(O)=C5
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Identifiers
InChI
InChI=1S/C28H24O17/c29-7-17-21(37)23(39)26(45-27(41)9-2-12(32)19(35)13(33)3-9)28(44-17)43-16-4-8(1-14(34)20(16)36)25-24(40)22(38)18-11(31)5-10(30)6-15(18)42-25/h1-6,17,21,23,26,28-37,39-40H,7H2
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InChIKey
KRAAAGFTDBNUGE-UHFFFAOYSA-N
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PubChem CID
162845264
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
KRAAAGFTDBNUGE-UHFFFAOYSA-N
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