(Q105181291)

English

[(10R,11R,13S)-3,4,5,12,21,22,23-heptahydroxy-8,18-dioxo-13-(3,4,5-trihydroxybenzoyl)oxy-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

group of stereoisomers with the chemical formula C₃₄H₂₆O₂₂

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

786.091572472 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₄H₂₆O₂₂

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canonical SMILES

O=C(OC1OC2COC(=O)C=3C=C(O)C(O)=C(O)C3C4=C(O)C(O)=C(O)C=C4C(=O)OC2C(OC(=O)C5=CC(O)=C(O)C(O)=C5)C1O)C6=CC(O)=C(O)C(O)=C6

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isomeric SMILES

O=C(O[C@@H]1OC2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@H]2[C@H](OC(=O)c2cc(O)c(O)c(O)c2)C1O)c1cc(O)c(O)c(O)c1

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found in taxon

Tamarix aphylla

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stated in

Ellagitannins, gallotannins, and gallo-ellagitannins from the galls of Tamarix aphylla.

Identifiers

InChI

InChI=1S/C34H26O22/c35-12-1-8(2-13(36)21(12)41)30(48)55-29-27(47)34(56-31(49)9-3-14(37)22(42)15(38)4-9)53-18-7-52-32(50)10-5-16(39)23(43)25(45)19(10)20-11(33(51)54-28(18)29)6-17(40)24(44)26(20)46/h1-6,18,27-29,34-47H,7H2/t18?,27?,28-,29-,34+/m1/s1

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InChIKey

NLDMNSXOCDLTTB-UWEYZKTMSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NLDMNSXOCDLTTB-UWEYZKTMSA-N

(Q105181291)

[(10R,11R,13S)-3,4,5,12,21,22,23-heptahydroxy-8,18-dioxo-13-(3,4,5-trihydroxybenzoyl)oxy-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

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