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(Q104991204)
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English
4,4',5,5'-tetrahydroxy-2,2'-dimethyl-7,7'-bis[(3-methylbut-2-en-1-yl)oxy]-9H,9'H-[9,9'-bianthracene]-10,10'-dione
group of stereoisomers with the chemical formula C₄₀H₃₈O₈
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Statements
instance of
group of stereoisomers
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subclass of
anthrone polyketide
1 reference
inferred from
anthrone polyketide
mass
646.2566681760002
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₄₀H₃₈O₈
0 references
canonical SMILES
O=C1C2=C(O)C=C(OCC=C(C)C)C=C2C(C3=CC(=CC(O)=C13)C)C4C5=CC(OCC=C(C)C)=CC(O)=C5C(=O)C6=C(O)C=C(C=C64)C
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Identifiers
InChI
InChI=1S/C40H38O8/c1-19(2)7-9-47-23-15-27-33(25-11-21(5)13-29(41)35(25)39(45)37(27)31(43)17-23)34-26-12-22(6)14-30(42)36(26)40(46)38-28(34)16-24(18-32(38)44)48-10-8-20(3)4/h7-8,11-18,33-34,41-44H,9-10H2,1-6H3
0 references
InChIKey
DXUXKYUZGSFHKJ-UHFFFAOYSA-N
0 references
PubChem CID
163050888
1 reference
matched by identifier from
InChIKey
InChIKey
DXUXKYUZGSFHKJ-UHFFFAOYSA-N
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