(Q110187238)

English

[(2R,3R)-2-[2-[6-[5,7-dihydroxy-4-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-yl]-2,3,4-trihydroxyphenyl]-3,4,5-trihydroxyphenyl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate

chemical compound

In more languages

Statements

type of chemical entity

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chemical compound

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936.159652032 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₃H₃₆O₂₄

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canonical SMILES

O=C(OC1CC=2C(O)=CC(O)=CC2OC1C=3C=C(O)C(O)=C(O)C3C=4C(O)=C(O)C(O)=CC4C=5OC=6C=C(O)C=C(O)C6C(=O)C5OC7OC(CO)C(O)C(O)C7O)C8=CC(O)=C(O)C(O)=C8

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isomeric SMILES

O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1-c1c(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c(O)c1O)c1cc(O)c(O)c(O)c1

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Camellia sinensis

1 reference

Tannins and Related Compounds. CXIV. Structures of Novel Fermentation Products, Theogallinin, Theaflavonin and Desgalloyl Theaflavonin from Black Tea, and Changes of Tea Leaf Polyphenols during Fermentation.

Identifiers

InChI=1S/C43H36O24/c44-10-26-33(56)37(60)38(61)43(66-26)67-41-36(59)29-18(48)4-13(46)6-24(29)64-40(41)16-8-22(52)32(55)35(58)28(16)27-15(7-21(51)31(54)34(27)57)39-25(9-14-17(47)3-12(45)5-23(14)63-39)65-42(62)11-1-19(49)30(53)20(50)2-11/h1-8,25-26,33,37-39,43-58,60-61H,9-10H2/t25-,26-,33-,37+,38-,39-,43+/m1/s1

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LUYANQLLUZLLRS-MKIXGOAUSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

UniChem compound ID

1 reference

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