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(Q105165572)
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English
Methyl 3-methyl-2-[(4,5,7-trihydroxy-9,10-dioxoanthracene-2-carbonyl)amino]butanoate
group of stereoisomers with the chemical formula C₂₁H₁₉NO₈
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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
413.11106656799984
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₁H₁₉NO₈
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canonical SMILES
COC(=O)C(NC(=O)c1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O)C(C)C
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Identifiers
InChI
InChI=1S/C21H19NO8/c1-8(2)17(21(29)30-3)22-20(28)9-4-11-15(13(24)5-9)19(27)16-12(18(11)26)6-10(23)7-14(16)25/h4-8,17,23-25H,1-3H3,(H,22,28)
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InChIKey
MJPQABXBKRQYAG-UHFFFAOYSA-N
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PubChem CID
162815847
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MJPQABXBKRQYAG-UHFFFAOYSA-N
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