hydrangenol 4'-O-beta-D-glucopyranoside (Q27136630)

CHEBI:68138 (English)

7 October 2016

chemical formula

C₂₁H₂₂O₉

1 reference

CHEBI:68138 (English)

7 October 2016

canonical SMILES

C1C(OC(=O)C2=C1C=CC=C2O)C3=CC=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O

1 reference

CHEBI:68138 (English)

7 October 2016

isomeric SMILES

C1C(OC(=O)C2=C1C=CC=C2O)C3=CC=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O

1 reference

CHEBI:68138 (English)

InChI=1S/C21H22O9/c22-9-15-17(24)18(25)19(26)21(30-15)28-12-6-4-10(5-7-12)14-8-11-2-1-3-13(23)16(11)20(27)29-14/h1-7,14-15,17-19,21-26H,8-9H2/t14?,15-,17-,18+,19-,21-/m1/s1

7 October 2016

Identifiers

InChI

1 reference

CHEBI:68138 (English)

VDDNWQMEDCJRQC-VRKGAULQSA-N

7 October 2016

InChIKey

2 references

CHEBI:68138 (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

4-(8-Hydroxy-1-oxo-3,4-dihydro-1H-isochromen-3-yl)phenyl beta-D-glucopyranoside (English)

7 October 2016

1 reference

CHEBI:68138 (English)

7 October 2016

Reaxys registry number

8364435

1 reference

hydrangenol 4'-O-beta-D-glucopyranoside (English)

7 October 2016

ChEBI ID

68138

mapping relation type

2 references

hydrangenol 4'-O-beta-D-glucopyranoside (English)