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(Q104989032)
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English
1,8-dihydroxy-3-methyl-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]anthracene-9,10-dione
group of stereoisomers with the chemical formula C₂₁H₂₀O₉
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Statements
instance of
group of stereoisomers
0 references
subclass of
biogenic anthraquinones
1 reference
inferred from
biogenic anthraquinones
mass
416.11073221999976
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₁H₂₀O₉
0 references
canonical SMILES
O=C1C2=CC(OC3OC(C)C(O)C(O)C3O)=CC(O)=C2C(=O)C4=C(O)C=C(C=C14)C
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Identifiers
InChI
InChI=1S/C21H20O9/c1-7-3-10-14(12(22)4-7)18(26)15-11(17(10)25)5-9(6-13(15)23)30-21-20(28)19(27)16(24)8(2)29-21/h3-6,8,16,19-24,27-28H,1-2H3
0 references
InChIKey
DTTVUKLWJFJOHO-UHFFFAOYSA-N
0 references
PubChem CID
348160
1 reference
based on heuristic
inferred from InChIKey
UniChem compound ID
22621640
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0036408
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
DTTVUKLWJFJOHO-UHFFFAOYSA-N
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