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(Q105350364)
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English
4-[4,5-Dihydroxy-6-(hydroxymethyl)-2-(3,4,5-trihydroxybenzoyl)oxyoxan-3-yl]oxy-3-(3-formyl-5,6,7-trihydroxy-1-oxoisochromen-4-yl)-4-oxobutanoic acid
group of stereoisomers with the chemical formula C₂₇H₂₄O₁₉
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Statements
instance of
group of stereoisomers
0 references
subclass of
isocoumarin
1 reference
inferred from
isocoumarin
mass
652.0911785479999
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₇H₂₄O₁₉
0 references
canonical SMILES
O=CC=1OC(=O)C=2C=C(O)C(O)=C(O)C2C1C(C(=O)OC3C(O)C(O)C(OC3OC(=O)C4=CC(O)=C(O)C(O)=C4)CO)CC(=O)O
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Identifiers
InChI
InChI=1S/C27H24O19/c28-5-13-16(17-8(25(41)43-13)3-12(32)19(36)21(17)38)9(4-15(33)34)26(42)45-23-22(39)20(37)14(6-29)44-27(23)46-24(40)7-1-10(30)18(35)11(31)2-7/h1-3,5,9,14,20,22-23,27,29-32,35-39H,4,6H2,(H,33,34)
0 references
InChIKey
YLWUMIWVHGNITI-UHFFFAOYSA-N
0 references
PubChem CID
162878249
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
YLWUMIWVHGNITI-UHFFFAOYSA-N
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