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(Q105290507)
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English
2-[(6-Chloro-4,5,7-trihydroxy-9,10-dioxoanthracene-2-carbonyl)amino]-4-methylpentanoic acid
group of stereoisomers with the chemical formula C₂₁H₁₈ClNO₈
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Statements
instance of
group of stereoisomers
0 references
subclass of
biogenic anthraquinones
1 reference
inferred from
biogenic anthraquinones
mass
447.0720942159998
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₁H₁₈ClNO₈
0 references
canonical SMILES
CC(C)CC(NC(=O)c1cc(O)c2c(c1)C(=O)c1cc(O)c(Cl)c(O)c1C2=O)C(=O)O
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Identifiers
InChI
InChI=1S/C21H18ClNO8/c1-7(2)3-11(21(30)31)23-20(29)8-4-9-14(12(24)5-8)18(27)15-10(17(9)26)6-13(25)16(22)19(15)28/h4-7,11,24-25,28H,3H2,1-2H3,(H,23,29)(H,30,31)
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InChIKey
VOXKCJAIEWKHLK-UHFFFAOYSA-N
0 references
PubChem CID
162815842
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
VOXKCJAIEWKHLK-UHFFFAOYSA-N
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