(Q105286777)

English

4-[5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-8-yl]-5,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate

group of stereoisomers with the chemical formula C₄₄H₃₄O₂₀

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Statements

instance of

group of stereoisomers

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subclass of

(4->8)-proanthocyanidin

1 reference

inferred from

(4->8)-proanthocyanidin

8C-substituted flavan

1 reference

inferred from

8C-substituted flavan

4C-substituted flavan

1 reference

inferred from

4C-substituted flavan

mass

882.7305 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₄H₃₄O₂₀

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canonical SMILES

O=C(OC1CC2=C(O)C=C(O)C(=C2OC1C3=CC(O)=C(O)C(O)=C3)C4C=5C(O)=CC(O)=CC5OC(C=6C=CC=C(O)C6)C4OC(=O)C7=CC(O)=C(O)C(O)=C7)C8=CC(O)=C(O)C(O)=C8

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Identifiers

InChI

InChI=1S/C44H34O20/c45-19-3-1-2-15(4-19)40-42(64-44(60)18-9-29(54)38(58)30(55)10-18)35(33-23(48)11-20(46)12-31(33)61-40)34-24(49)14-22(47)21-13-32(62-43(59)17-7-27(52)37(57)28(53)8-17)39(63-41(21)34)16-5-25(50)36(56)26(51)6-16/h1-12,14,32,35,39-40,42,45-58H,13H2

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InChIKey

VIEACIFZWICDRE-UHFFFAOYSA-N

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PubChem CID

13991196

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

VIEACIFZWICDRE-UHFFFAOYSA-N

(Q105286777)

4-[5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-8-yl]-5,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate

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