(Q105119753)

English

3-O-(3,4,5-Trihydroxybenzoyl)-1-O,6-O-[2,2',3,3',4,4'-hexahydroxy(1,1'-biphenyl)-6,6'-diylbiscarbonyl]-beta-D-glucopyranose

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

beta-D-Glucopyranose, cyclic 1,6-[(1S)-4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate] 3-(3,4,5-trihydroxybenzoate)

1 reference

based on heuristic

inferred from SMILES

mass

634.080613864 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₂₂O₁₈

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canonical SMILES

O=C1OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3C=4C(O)=C(O)C(O)=CC14)C(O)C(OC(=O)C5=CC(O)=C(O)C(O)=C5)C2O

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isomeric SMILES

O=C(O[C@@H]1[C@@H](O)[C@@H]2OC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)OC[C@@H](O2)[C@H]1O)c1cc(O)c(O)c(O)c1

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found in taxon

Euphorbia helioscopia

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stated in

Euphorbia jolkinii

1 reference

stated in

Structure and biogenesis of jolkinin, a highly oxygenated ellagitannin from Euphorbia jolkinii

Identifiers

InChI

InChI=1S/C27H22O18/c28-9-1-6(2-10(29)16(9)32)24(39)44-23-19(35)13-5-42-25(40)7-3-11(30)17(33)20(36)14(7)15-8(4-12(31)18(34)21(15)37)26(41)45-27(43-13)22(23)38/h1-4,13,19,22-23,27-38H,5H2/t13-,19-,22-,23+,27+/m1/s1

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InChIKey

ISRNLRCYYLHRQD-XIGLUPEJSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

ISRNLRCYYLHRQD-XIGLUPEJSA-N

1 reference

(Q105119753)

3-O-(3,4,5-Trihydroxybenzoyl)-1-O,6-O-[2,2',3,3',4,4'-hexahydroxy(1,1'-biphenyl)-6,6'-diylbiscarbonyl]-beta-D-glucopyranose

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Identifiers

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