(Q27103552)

(2R,3S)-2-(3,4-dihydroxyphenyl)-7-hydroxy-4-oxo-3,4-dihydro-2H-chromen-3-yl beta-D-galactopyranoside (English)

5 October 2016

chemical formula

C₂₁H₂₂O₁₁

1 reference

(2R,3S)-2-(3,4-dihydroxyphenyl)-7-hydroxy-4-oxo-3,4-dihydro-2H-chromen-3-yl beta-D-galactopyranoside (English)

5 October 2016

canonical SMILES

C1=CC(=C(C=C1C2C(C(=O)C3=C(O2)C=C(C=C3)O)OC4C(C(C(C(O4)CO)O)O)O)O)O

1 reference

(2R,3S)-2-(3,4-dihydroxyphenyl)-7-hydroxy-4-oxo-3,4-dihydro-2H-chromen-3-yl beta-D-galactopyranoside (English)

5 October 2016

isomeric SMILES

C1=CC(=C(C=C1[C@@H]2[C@@H](C(=O)C3=C(O2)C=C(C=C3)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O

1 reference

(2R,3S)-2-(3,4-dihydroxyphenyl)-7-hydroxy-4-oxo-3,4-dihydro-2H-chromen-3-yl beta-D-galactopyranoside (English)

InChI=1S/C21H22O11/c22-7-14-16(27)17(28)18(29)21(31-14)32-20-15(26)10-3-2-9(23)6-13(10)30-19(20)8-1-4-11(24)12(25)5-8/h1-6,14,16-25,27-29H,7H2/t14-,16+,17+,18-,19-,20-,21+/m1/s1

5 October 2016

Identifiers

InChI

1 reference

(2R,3S)-2-(3,4-dihydroxyphenyl)-7-hydroxy-4-oxo-3,4-dihydro-2H-chromen-3-yl beta-D-galactopyranoside (English)

QSWUCBJNTODEKO-PKOGLCCJSA-N

5 October 2016

InChIKey

2 references

(2R,3S)-2-(3,4-dihydroxyphenyl)-7-hydroxy-4-oxo-3,4-dihydro-2H-chromen-3-yl beta-D-galactopyranoside (English)

5 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(2R,3S)-2-(3,4-Dihydroxyphenyl)-7-hydroxy-4-oxo-3,4-dihydro-2H-chromen-3-yl beta-D-galactopyranoside (English)

5 October 2016

1 reference

(2R,3S)-2-(3,4-dihydroxyphenyl)-7-hydroxy-4-oxo-3,4-dihydro-2H-chromen-3-yl beta-D-galactopyranoside (English)

5 October 2016

ChEBI ID

28183

mapping relation type

2 references

fustin 3-O-beta-D-galactoside (English)