(Q83043628)

English

2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-3,5-dihydroxy-6-methoxy-4H-1-benzopyran-4-one

chemical compound

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instance of

type of chemical entity

0 references

1 reference

494.1060407639998 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

stereoisomer of

2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-6-methoxy-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-6-methoxy-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₂₂O₁₃

0 references

canonical SMILES

COc1c(OC2OC(CO)C(O)C(O)C2O)cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1O

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

COC1=C(C=C2C(=C1O)C(=O)C(=C(O2)C3=CC(=C(C=C3)O)O)O)O[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)CO)O)O)O

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Identifiers

InChI

InChI=1S/C22H22O13/c1-32-21-11(34-22-19(31)17(29)14(26)12(6-23)35-22)5-10-13(16(21)28)15(27)18(30)20(33-10)7-2-3-8(24)9(25)4-7/h2-5,12,14,17,19,22-26,28-31H,6H2,1H3/t12-,14-,17+,19-,22-/m0/s1

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InChIKey

AFCDXKGLUDDXCK-NPSMOHFVSA-N

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0 references

1 reference

matched by identifier from

InChIKey

AFCDXKGLUDDXCK-NPSMOHFVSA-N

1 reference

1 reference

matched by identifier from

InChIKey

AFCDXKGLUDDXCK-NPSMOHFVSA-N

DSSTOX compound identifier

DTXCID5096064

0 references

(Q83043628)

2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-3,5-dihydroxy-6-methoxy-4H-1-benzopyran-4-one

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