(Q104170850)

English

2-amino-N-(7,8-dimethoxy-2-oxochromen-3-yl)-3a,4,5-trihydroxy-3,4,5,7a-tetrahydro-1-benzothiophene-2-carboximidic acid

group of stereoisomers with the chemical formula C₂₀H₂₂N₂O₈S

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Statements

group of stereoisomers

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biogenic coumarin

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biogenic coumarin

450.4641 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₂N₂O₈S

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canonical SMILES

COc1ccc2cc(NC(=O)C3(N)CC4(O)C(C=CC(O)C4O)S3)c(=O)oc2c1OC

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Identifiers

InChI=1S/C20H22N2O8S/c1-28-12-5-3-9-7-10(17(25)30-14(9)15(12)29-2)22-18(26)20(21)8-19(27)13(31-20)6-4-11(23)16(19)24/h3-7,11,13,16,23-24,27H,8,21H2,1-2H3,(H,22,26)

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LDSUQPVEEKUWMR-UHFFFAOYSA-N

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1 reference

matched by identifier from

LDSUQPVEEKUWMR-UHFFFAOYSA-N

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