(Q105350863)

English

1-O-[4-[3-(3,4-Dihydroxyphenyl)propanoyl]-3,5-dihydroxyphenyl]-4-O,6-O-[(4,4',5,5',6,6'-hexahydroxy-1,1'-biphenyl-2,2'-diyl)biscarbonyl]-3-O-galloyl-beta-D-glucopyranose

chemical compound

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instance of

type of chemical entity

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subclass of

[13-[4-[3-(3,4-Dihydroxyphenyl)propanoyl]-3,5-dihydroxyphenoxy]-3,4,5,12,21,22,23-heptahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-11-yl] 3,4,5-trihydroxybenzoate

1 reference

based on heuristic

inferred from SMILES

mass

906.149087348 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₂H₃₄O₂₃

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canonical SMILES

O=C1OCC2OC(OC3=CC(O)=C(C(=O)CCC4=CC=C(O)C(O)=C4)C(O)=C3)C(O)C(OC(=O)C5=CC(O)=C(O)C(O)=C5)C2OC(=O)C6=CC(O)=C(O)C(O)=C6C=7C(O)=C(O)C(O)=CC17

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isomeric SMILES

O=C(O[C@@H]1[C@@H](O)[C@H](Oc2cc(O)c(C(=O)CCc3ccc(O)c(O)c3)c(O)c2)O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@H]21)c1cc(O)c(O)c(O)c1

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found in taxon

Balanophora harlandii

1 reference

stated in

A New Hydrolyzable Tannin fromBalanophora harlandiiwith Radical-Scavenging Activity

Balanophora tobiracola

1 reference

stated in

Galloyl, caffeoyl and hexahydroxydiphenoyl esters of dihydrochalcone glucosides from Balanophora tobiracola

Identifiers

InChI

InChI=1S/C42H34O23/c43-18-3-1-13(5-20(18)45)2-4-19(44)30-21(46)8-15(9-22(30)47)62-42-36(57)38(65-39(58)14-6-23(48)31(52)24(49)7-14)37-27(63-42)12-61-40(59)16-10-25(50)32(53)34(55)28(16)29-17(41(60)64-37)11-26(51)33(54)35(29)56/h1,3,5-11,27,36-38,42-43,45-57H,2,4,12H2/t27-,36-,37-,38-,42-/m1/s1

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InChIKey

YNBDQLUEUISRRZ-VHBRHXFYSA-N

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1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105350863)

1-O-[4-[3-(3,4-Dihydroxyphenyl)propanoyl]-3,5-dihydroxyphenyl]-4-O,6-O-[(4,4',5,5',6,6'-hexahydroxy-1,1'-biphenyl-2,2'-diyl)biscarbonyl]-3-O-galloyl-beta-D-glucopyranose

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