(Q105251044)

English

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

group of stereoisomers with the chemical formula C₃₆H₂₈O₁₅

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Statements

instance of

group of stereoisomers

0 references

1 reference

700.142820196 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₆H₂₈O₁₅

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canonical SMILES

O=C(OC1CC2=CC(O)=C(O)C=C2OC1C3=CC=C(O)C(O)=C3)C=4C=C(O)C(=O)C5=C(O)C(O)=CC(=C5C4)C6OC=7C=C(O)C=C(O)C7CC6O

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found in taxon

Camellia sinensis

1 reference

stated in

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

Identifiers

InChI

InChI=1S/C36H28O15/c37-16-8-21(39)19-11-27(45)35(50-29(19)9-16)18-10-26(44)33(47)31-17(18)3-15(6-25(43)32(31)46)36(48)51-30-7-14-5-23(41)24(42)12-28(14)49-34(30)13-1-2-20(38)22(40)4-13/h1-6,8-10,12,27,30,34-35,37-42,44-45,47H,7,11H2,(H,43,46)

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InChIKey

SEDUYIBVUMLAFJ-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SEDUYIBVUMLAFJ-UHFFFAOYSA-N

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SEDUYIBVUMLAFJ-UHFFFAOYSA-N

Human Metabolome Database ID

HMDB0033038

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

SEDUYIBVUMLAFJ-UHFFFAOYSA-N

(Q105251044)

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

Statements

Identifiers

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