The Biofilms Structural Database
Name
Phenyl 6,7-dideoxy-6,7-epoxy-beta-D-galacto-heptopyranoside(6D)
Molecular Weight
268.26
Isomeric SMILES
O[C@H]1[C@H](Oc2ccccc2)O[C@H]([C@H]2CO2)[C@H](O)[C@@H]1O
Formula
C13H16O6
Identifiers
(2~{S},3~{R},4~{S},5~{R},6~{S})-2-[(2~{R})-oxiran-2-yl]-6-phenoxy-oxane-3,4,5-triol
Formal Charge
0
InChI
InChI=1S/C13H16O6/c14-9-10(15)12(8-6-17-8)19-13(11(9)16)18-7-4-2-1-3-5-7/h1-5,8-16H,6H2/t8-,9+,10-,11-,12-,13-/m1/s1
Atom Count
35
InChIKey
BGULDTQQEDQGRU-LREJFELKSA-N
PDB codes
5MIH
Type
NON-POLYMER
Chiral Atom Count
6
Chiral Atoms
C1, C2, C3, C4, C5, C6
Bond Count
37
Aromatic Bond Count
Leaving Atoms
n/a