(Q115950661)

English

(2S,3R)-2-(3,4-dihydroxyphenyl)-8-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-chromene-3,5,7-triol

chemical compound

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instance of

type of chemical entity

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subclass of

8C-substituted flavan

1 reference

based on heuristic

inferred from SMILES

mass

452.131861588 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

2alpha-(3,4-Dihydroxyphenyl)-8-(beta-D-glucopyranosyl)-3,4-dihydro-2H-1-benzopyran-3alpha,5,7-triol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₂₄O₁₁

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canonical SMILES

OC1=CC=C(C=C1O)C2OC=3C(=C(O)C=C(O)C3C4OC(CO)C(O)C(O)C4O)CC2O

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isomeric SMILES

OC[C@@H]1O[C@@H](c2c(O)cc(O)c3c2O[C@@H](c2ccc(O)c(O)c2)[C@H](O)C3)[C@H](O)[C@@H](O)[C@@H]1O

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1 reference

1 reference

Identifiers

InChI

InChI=1S/C21H24O11/c22-6-14-16(28)17(29)18(30)21(31-14)15-12(26)5-10(24)8-4-13(27)19(32-20(8)15)7-1-2-9(23)11(25)3-7/h1-3,5,13-14,16-19,21-30H,4,6H2/t13-,14+,16-,17+,18-,19+,21+/m1/s1

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InChIKey

XWDHVYPMZCGHNM-VBHWQCTCSA-N

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2 references

2 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

XWDHVYPMZCGHNM-VBHWQCTCSA-N

(Q115950661)

(2S,3R)-2-(3,4-dihydroxyphenyl)-8-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-chromene-3,5,7-triol

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