(Q115946743)

English

[2-[1-[5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-3,4-dihydro-2H-chromen-2-yl]-3,4,6-trihydroxy-5-oxobenzo[7]annulen-7-yl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate

group of stereoisomers with the chemical formula C₄₃H₃₂O₂₀

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

868.148693424 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₄₃H₃₂O₂₀

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canonical SMILES

O=C(OC1CC=2C(O)=CC(O)=CC2OC1C=3C=CC=4C(C(=O)C3O)=C(O)C(O)=CC4C5OC=6C=C(O)C=C(O)C6CC5OC(=O)C7=CC(O)=C(O)C(O)=C7)C8=CC(O)=C(O)C(O)=C8

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found in taxon

Camellia sinensis

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stated in

Identifiers

InChI

InChI=1S/C43H32O20/c44-16-7-23(46)21-12-32(62-42(58)14-3-25(48)36(54)26(49)4-14)40(60-30(21)9-16)19-2-1-18-20(11-29(52)38(56)34(18)39(57)35(19)53)41-33(13-22-24(47)8-17(45)10-31(22)61-41)63-43(59)15-5-27(50)37(55)28(51)6-15/h1-11,32-33,40-41,44-52,54-56H,12-13H2,(H,53,57)

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InChIKey

YLQIFALAJQXJLU-UHFFFAOYSA-N

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2 references

2 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

YLQIFALAJQXJLU-UHFFFAOYSA-N

KNApSAcK ID

C00059534

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

YLQIFALAJQXJLU-UHFFFAOYSA-N

(Q115946743)

[2-[1-[5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-3,4-dihydro-2H-chromen-2-yl]-3,4,6-trihydroxy-5-oxobenzo[7]annulen-7-yl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate

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Identifiers

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