(Q104945642)

English

[7,7,8,12,13-Pentahydroxy-3,6,16-trioxo-21,22-bis[(3,4,5-trihydroxybenzoyl)oxy]-2,17,20,23-tetraoxapentacyclo[16.3.1.18,11.04,9.010,15]tricosa-4,10,12,14-tetraen-19-yl]methyl 3,4,5-trihydroxybenzoate

group of stereoisomers with the chemical formula C₄₁H₃₀O₂₇

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

954.0974457000008 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₁H₃₀O₂₇

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canonical SMILES

O=C(OCC1OC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C3OC(=O)C4=CC(=O)C(O)(O)C5(O)OC=6C(O)=C(O)C=C(C(=O)OC1C3OC(=O)C7=CC(O)=C(O)C(O)=C7)C6C45)C8=CC(O)=C(O)C(O)=C8

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Identifiers

InChI

InChI=1S/C41H30O27/c42-15-1-10(2-16(43)26(15)50)34(54)62-9-22-30-32(65-35(55)11-3-17(44)27(51)18(45)4-11)33(39(63-22)67-36(56)12-5-19(46)28(52)20(47)6-12)66-38(58)14-8-23(49)40(59,60)41(61)25(14)24-13(37(57)64-30)7-21(48)29(53)31(24)68-41/h1-8,22,25,30,32-33,39,42-48,50-53,59-61H,9H2

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InChIKey

BTIDLTNVHZCDPS-UHFFFAOYSA-N

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PubChem CID

162974503

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

BTIDLTNVHZCDPS-UHFFFAOYSA-N

(Q104945642)

[7,7,8,12,13-Pentahydroxy-3,6,16-trioxo-21,22-bis[(3,4,5-trihydroxybenzoyl)oxy]-2,17,20,23-tetraoxapentacyclo[16.3.1.18,11.04,9.010,15]tricosa-4,10,12,14-tetraen-19-yl]methyl 3,4,5-trihydroxybenzoate

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Identifiers

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