(Q82917672)

English

4H-1-Benzopyran-4-one, 2-(3-(beta-D-glucopyranosyloxy)-4-hydroxyphenyl)-3,5,7-trihydroxy-

group of stereoisomers with the chemical formula C₂₁H₂₀O₁₂

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Statements

instance of

group of stereoisomers

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1 reference

464.09547608 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₀O₁₂

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canonical SMILES

O=C1C(O)=C(OC=2C=C(O)C=C(O)C12)C=3C=CC(O)=C(OC4OC(CO)C(O)C(O)C4O)C3

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isomeric SMILES

O=c1c(O)c(-c2ccc(O)c(OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)oc2cc(O)cc(O)c12

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found in taxon

Pseudotsuga menziesii

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stated in

Douglas-fir polyphenols and heartwood formation

Identifiers

InChI

InChI=1S/C21H20O12/c22-6-13-15(26)17(28)19(30)21(33-13)32-11-3-7(1-2-9(11)24)20-18(29)16(27)14-10(25)4-8(23)5-12(14)31-20/h1-5,13,15,17,19,21-26,28-30H,6H2/t13-,15-,17+,19-,21?/m1/s1

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InChIKey

YLWQTYZKYGNKPI-CXWQUDHASA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

YLWQTYZKYGNKPI-CXWQUDHASA-N

1 reference

1 reference

matched by identifier from

InChIKey

YLWQTYZKYGNKPI-CXWQUDHASA-N

DSSTOX compound identifier

DTXCID501369369

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(Q82917672)

4H-1-Benzopyran-4-one, 2-(3-(beta-D-glucopyranosyloxy)-4-hydroxyphenyl)-3,5,7-trihydroxy-

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