U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C13H16O7
Molecular Weight 284.2619
Optical Activity ( - )
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Benzoyl-β-d-glucoside

SMILES

OC[C@H]1O[C@@H](OC(=O)C2=CC=CC=C2)[C@H](O)[C@@H](O)[C@@H]1O

InChI

InChIKey=LVFCLUMIBMHAFL-HMUNZLOLSA-N
InChI=1S/C13H16O7/c14-6-8-9(15)10(16)11(17)13(19-8)20-12(18)7-4-2-1-3-5-7/h1-5,8-11,13-17H,6H2/t8-,9-,10+,11-,13+/m1/s1

HIDE SMILES / InChI

Molecular Formula C13H16O7
Molecular Weight 284.2619
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
U2X7G335QH
Record Status Validated (UNII)
Record Version