(Q82985938)

English

2-(3,4-Dimethoxyphenyl)-3,6,7-trimethoxy-4-oxo-4H-1-benzopyran-5-yl 6-deoxy-4-O-hexopyranosylhexopyranoside

group of stereoisomers with the chemical formula C₃₂H₄₀O₁₇

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

696.22654982 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₂H₄₀O₁₇

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based on heuristic

inferred from SMILES

canonical SMILES

COc1ccc(-c2oc3cc(OC)c(OC)c(OC4OC(C)C(OC5OC(CO)C(O)C(O)C5O)C(O)C4O)c3c(=O)c2OC)cc1OC

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

COc1ccc(-c2oc3cc(OC)c(OC)c(OC4O[C@@H](C)C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H]4O)c3c(=O)c2OC)cc1OC

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C32H40O17/c1-12-26(48-32-24(38)22(36)20(34)18(11-33)47-32)23(37)25(39)31(45-12)49-29-19-16(10-17(42-4)28(29)43-5)46-27(30(44-6)21(19)35)13-7-8-14(40-2)15(9-13)41-3/h7-10,12,18,20,22-26,31-34,36-39H,11H2,1-6H3/t12-,18+,20+,22-,23-,24+,25+,26?,31?,32-/m0/s1

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InChIKey

PAJMMZMRJVANIH-VGZDEVELSA-N

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID201421885

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(Q82985938)

2-(3,4-Dimethoxyphenyl)-3,6,7-trimethoxy-4-oxo-4H-1-benzopyran-5-yl 6-deoxy-4-O-hexopyranosylhexopyranoside

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