(Q125699666)

English

(2R,3R)-5,7-dihydroxy-2-{3,4,6-trihydroxy-5-oxo-8-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]-5H-benzo[7]annulen-2-yl}-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate

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instance of

type of chemical entity

0 references

1 reference

716.137734816 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₆H₂₈O₁₆

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canonical SMILES

O=C(OC1CC=2C(O)=CC(O)=CC2OC1C3=CC=4C=C(C=C(O)C(=O)C4C(O)=C3O)C5OC=6C=C(O)C=C(O)C6CC5O)C7=CC(O)=C(O)C(O)=C7

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isomeric SMILES

O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc2cc([C@H]3Oc4cc(O)cc(O)c4C[C@H]3O)cc(O)c(=O)c2c(O)c1O)c1cc(O)c(O)c(O)c1

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found in taxon

Camellia sinensis

3 references

stated in

On-line high-performance liquid chromatography analysis of the antioxidant activity of phenolic compounds in green and black tea.

stated in

Estimation of black tea quality by analysis of chemical composition and colour difference of tea infusions

stated in

Influence of catechins and theaflavins on the astringent taste of black tea brews

Mentha piperita piperita

1 reference

stated in

Distribution of Catechins, Theaflavins, Caffeine, and Theobromine in 77 Teas Consumed in the United States

Matricaria chamomilla

1 reference

stated in

Distribution of Catechins, Theaflavins, Caffeine, and Theobromine in 77 Teas Consumed in the United States

Chamomilla recutita

1 reference

stated in

Distribution of Catechins, Theaflavins, Caffeine, and Theobromine in 77 Teas Consumed in the United States

Identifiers

InChI

InChI=1S/C36H28O16/c37-15-6-20(39)17-10-25(44)34(50-26(17)8-15)13-1-12-2-19(30(45)33(48)29(12)32(47)24(43)3-13)35-28(11-18-21(40)7-16(38)9-27(18)51-35)52-36(49)14-4-22(41)31(46)23(42)5-14/h1-9,25,28,34-35,37-42,44-46,48H,10-11H2,(H,43,47)/t25-,28-,34-,35-/m1/s1

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InChIKey

AATSUYYYTHJRJO-RZYARBFNSA-N

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PubChem CID

22833650

1 reference

matched by identifier from

InChIKey

AATSUYYYTHJRJO-RZYARBFNSA-N

135625500

1 reference

matched by identifier from

InChIKey

AATSUYYYTHJRJO-RZYARBFNSA-N

SureChEMBL ID

SCHEMBL248340

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

AATSUYYYTHJRJO-RZYARBFNSA-N

Human Metabolome Database ID

HMDB0005786

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

AATSUYYYTHJRJO-RZYARBFNSA-N

(Q125699666)

(2R,3R)-5,7-dihydroxy-2-{3,4,6-trihydroxy-5-oxo-8-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]-5H-benzo[7]annulen-2-yl}-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate

Statements

Identifiers

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