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(Q104195914)
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English
7-hydroxy-3-(3-hydroxyprop-1-en-1-yl)-7-methyl-6-oxo-8H-isochromen-8-yl 2,4-dihydroxy-6-methylbenzoate
group of stereoisomers with the chemical formula C₂₁H₂₀O₈
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instance of
group of stereoisomers
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subclass of
chemical compound
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mass
400.1158175999998
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₁H₂₀O₈
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canonical SMILES
O=C(OC1C2=COC(C=CCO)=CC2=CC(=O)C1(O)C)C=3C(O)=CC(O)=CC3C
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Identifiers
InChI
InChI=1S/C21H20O8/c1-11-6-13(23)9-16(24)18(11)20(26)29-19-15-10-28-14(4-3-5-22)7-12(15)8-17(25)21(19,2)27/h3-4,6-10,19,22-24,27H,5H2,1-2H3
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InChIKey
QKNQKIUAUKALFY-UHFFFAOYSA-N
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PubChem CID
163083543
1 reference
based on heuristic
inferred from InChIKey
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