(Q105305178)

English

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

group of stereoisomers with the chemical formula C₂₁H₁₈ClNO₈

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Statements

group of stereoisomers

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biogenic anthraquinones

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biogenic anthraquinones

447.0720942159998 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₁₈ClNO₈

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canonical SMILES

CCC(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/C21H18ClNO8/c1-3-7(2)16(21(30)31)23-20(29)8-4-9-13(11(24)5-8)18(27)14-10(17(9)26)6-12(25)15(22)19(14)28/h4-7,16,24-25,28H,3H2,1-2H3,(H,23,29)(H,30,31)

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WHACVUABXCQHBE-UHFFFAOYSA-N

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2 references

based on heuristic

inferred from InChIKey

matched by identifier from

WHACVUABXCQHBE-UHFFFAOYSA-N

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