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(Q104200007)
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English
1,5-Dihydroxy-2-methoxy-7-methyl-4-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyanthracene-9,10-dione
group of stereoisomers with the chemical formula C₂₈H₃₂O₁₆
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Statements
instance of
group of stereoisomers
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subclass of
biogenic anthraquinones
1 reference
inferred from
biogenic anthraquinones
mass
624.1690349439998
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₈H₃₂O₁₆
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canonical SMILES
O=C1C2=CC(=CC(O)=C2C(=O)C=3C(OC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)=CC(OC)=C(O)C13)C
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Identifiers
InChI
InChI=1S/C28H32O16/c1-8-3-9-15(10(30)4-8)22(35)16-11(5-12(40-2)19(32)17(16)18(9)31)42-28-26(39)24(37)21(34)14(44-28)7-41-27-25(38)23(36)20(33)13(6-29)43-27/h3-5,13-14,20-21,23-30,32-34,36-39H,6-7H2,1-2H3
0 references
InChIKey
VYNRRWAXYMAKIF-UHFFFAOYSA-N
0 references
PubChem CID
163019381
1 reference
based on heuristic
inferred from InChIKey
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