(Q105014982)

English

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

group of stereoisomers with the chemical formula C₃₆H₂₈O₁₆

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Statements

instance of

group of stereoisomers

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)=CC2OC1C=3C=C(O)C(O)=C4C(=O)C(O)=CC(=CC43)C5OC=6C=C(O)C=C(O)C6CC5O)C7=CC(O)=C(O)C(O)=C7

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found in taxon

Camellia sinensis

2 references

stated in

The use of green tea (Camellia sinensis) leaf flavan-3-ol composition in predicting plain black tea quality potential

stated in

Theaflavate B, ISOTHEAFLAVIN-3′-O-GALLATE and NEOTHEAFLAVIN-3-O-GALLATE: three polyphenolic pigments from black tea

Identifiers

InChI

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

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InChIKey

GPLOTACQBREROW-UHFFFAOYSA-N

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1 reference

17 September 2022

inferred from InChIKey

1 reference

17 September 2022

inferred from InChIKey

Human Metabolome Database ID

HMDB0032904

1 reference

based on heuristic

inferred from InChIKey

(Q105014982)

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

Statements

Identifiers

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