(Q105165572)

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

group of stereoisomers

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biogenic anthraquinones

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biogenic anthraquinones

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=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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MJPQABXBKRQYAG-UHFFFAOYSA-N

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2 references

based on heuristic

inferred from InChIKey

matched by identifier from

MJPQABXBKRQYAG-UHFFFAOYSA-N

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