(Q82932472)

English

3,6-Dihydroxy-5-oxo-1,8-bis(3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)-5H-benzo[7]annulen-4-yl 3,4,5-trihydroxybenzoate

group of stereoisomers with the chemical formula C₃₆H₂₈O₁₆

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

716.137734816 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₆H₂₈O₁₆

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based on heuristic

inferred from SMILES

canonical SMILES

O=C(Oc1c(O)cc(C2Oc3cc(O)cc(O)c3CC2O)c2cc(C3Oc4cc(O)cc(O)c4CC3O)cc(O)c(=O)c12)c1cc(O)c(O)c(O)c1

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

O=C(Oc1c(O)cc(C2Oc3cc(O)cc(O)c3CC2O)c2cc([C@H]3Oc4cc(O)cc(O)c4C[C@H]3O)cc(O)c(=O)c12)c1cc(O)c(O)c(O)c1

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C36H28O16/c37-14-5-20(39)18-10-25(44)33(50-28(18)7-14)12-1-16-17(34-26(45)11-19-21(40)6-15(38)8-29(19)51-34)9-27(46)35(30(16)32(48)24(43)2-12)52-36(49)13-3-22(41)31(47)23(42)4-13/h1-9,25-26,33-34,37-42,44-47H,10-11H2,(H,43,48)/t25-,26?,33-,34?/m1/s1

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InChIKey

CKDOBTPKUHSESZ-MALJIYBWSA-N

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DSSTOX compound identifier

DTXCID801381635

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(Q82932472)

3,6-Dihydroxy-5-oxo-1,8-bis(3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)-5H-benzo[7]annulen-4-yl 3,4,5-trihydroxybenzoate

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