(Q104396749)

English

[(10R,11R,12R,13R,15R)-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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[(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

1 reference

1 reference

786.091572472 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

1-O,3-O-Digalloyl-4-O,6-O-[(4,4',5,5',6,6'-hexahydroxy-2,2'-biphenylylene)biscarbonyl]-beta-D-glucopyranose

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₄H₂₆O₂₂

0 references

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]1O[C@@H]2COC(=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)[C@H]1O)c1cc(O)c(O)c(O)c1

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found in taxon

Woodfordia fruticosa

1 reference

stated in

Woodfordin C, a macro-ring hydrolyzable tannin dimer with antitumor activity, and accompanying dimers from Woodfordia fruticosa flowers

1 reference

2 references

Heterophylliins A,B,C,D and E, ellagitannin monomers and dimers from Corylus heterophylla Fisch.

stated in

Heterophylliins A,B,C,D and E, ellagitannin monomers and dimers from Corylus heterophylla Fisch.

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

0 references

InChIKey

NLDMNSXOCDLTTB-LYQMCHKOSA-N

0 references

2 references

26 December 2021

matched by identifier from

InChIKey

NLDMNSXOCDLTTB-LYQMCHKOSA-N

1 reference

(Q104396749)

[(10R,11R,12R,13R,15R)-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

Statements

Identifiers

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