(Q104939414)

English

N-(7,8-dimethoxy-2-oxochromen-3-yl)-5,9-dihydroxy-3-oxa-11-thia-2-azatricyclo[6.2.1.04,9]undec-6-ene-1-carboxamide

group of stereoisomers with the chemical formula C₂₀H₂₀N₂O₈S

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Statements

group of stereoisomers

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biogenic coumarin

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biogenic coumarin

448.4483 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₀N₂O₈S

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canonical SMILES

COc1ccc2cc(NC(=O)C34CC5(O)C(C=CC(O)C5ON3)S4)c(=O)oc2c1OC

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Identifiers

InChI=1S/C20H20N2O8S/c1-27-12-5-3-9-7-10(17(24)29-14(9)15(12)28-2)21-18(25)20-8-19(26)13(31-20)6-4-11(23)16(19)30-22-20/h3-7,11,13,16,22-23,26H,8H2,1-2H3,(H,21,25)

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BORNJBKYDWJXSF-UHFFFAOYSA-N

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2 references

based on heuristic

inferred from InChIKey

matched by identifier from

BORNJBKYDWJXSF-UHFFFAOYSA-N

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