2',3,4,4',6'-Pentahydroxychalcone 4'-O-beta-D-glucoside (Q27135498)

PHC 4'-O-glucoside (English)

3-(3,4-dihydroxyphenyl)-1-[2,6-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one

7 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₂₂O₁₁

1 reference

PHC 4'-O-glucoside (English)

7 October 2016

canonical SMILES

C1=CC(=C(C=C1C=CC(=O)C2=C(C=C(C=C2O)OC3C(C(C(C(O3)CO)O)O)O)O)O)O

1 reference

PHC 4'-O-glucoside (English)

7 October 2016

isomeric SMILES

C1=CC(=C(C=C1/C=C/C(=O)C2=C(C=C(C=C2O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O

1 reference

Chalcone glycosides of Antirrhinum majus

PHC 4'-O-glucoside (English)

7 October 2016

1 reference

Identifiers

InChI

InChI=1S/C21H22O11/c22-8-16-18(28)19(29)20(30)21(32-16)31-10-6-14(26)17(15(27)7-10)12(24)4-2-9-1-3-11(23)13(25)5-9/h1-7,16,18-23,25-30H,8H2/b4-2+/t16-,18-,19+,20-,21-/m1/s1

1 reference

PHC 4'-O-glucoside (English)

GZTXEEPKLNRIEL-LYXDKPSQSA-N

7 October 2016

InChIKey

2 references

PHC 4'-O-glucoside (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

4-[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]-3,5-dihydroxyphenyl beta-D-glucopyranoside (English)

7 October 2016

2 references

PHC 4'-O-glucoside (English)

matched by identifier from

7 October 2016

InChIKey

GZTXEEPKLNRIEL-LYXDKPSQSA-N

Reaxys registry number

1303162

1 reference

2',3,4,4',6'-pentahydroxychalcone 4'-O-beta-D-glucoside (English)

7 October 2016

ChEBI ID

66904

mapping relation type

2 references

2',3,4,4',6'-pentahydroxychalcone 4'-O-beta-D-glucoside (English)

matched by identifier from

7 October 2016

International Chemical Identifier

InChI

InChI=1S/C21H22O11/c22-8-16-18(28)19(29)20(30)21(32-16)31-10-6-14(26)17(15(27)7-10)12(24)4-2-9-1-3-11(23)13(25)5-9/h1-7,16,18-23,25-30H,8H2/b4-2+/t16-,18-,19+,20-,21-/m1/s1

1 reference

1 reference

2',3,4,4',6'-pentahydroxychalcone 4'-O-beta-D-glucoside (English)