(Q105100194)

English

2-[(6-Chloro-4,5,7-trihydroxy-9,10-dioxoanthracene-2-carbonyl)amino]-3-methylbutanoic acid

group of stereoisomers with the chemical formula C₂₀H₁₆ClNO₈

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Statements

group of stereoisomers

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biogenic anthraquinones

1 reference

biogenic anthraquinones

433.0564441519998 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₁₆ClNO₈

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canonical SMILES

CC(C)C(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=1S/C20H16ClNO8/c1-6(2)15(20(29)30)22-19(28)7-3-8-12(10(23)4-7)17(26)13-9(16(8)25)5-11(24)14(21)18(13)27/h3-6,15,23-24,27H,1-2H3,(H,22,28)(H,29,30)

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AVIVKUDKCMVAOA-UHFFFAOYSA-N

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2 references

based on heuristic

inferred from InChIKey

matched by identifier from

AVIVKUDKCMVAOA-UHFFFAOYSA-N

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