2'-Hydroxyenterolactone

Properties Image MNX_ID MNXM116260 reference chebi:175033 formula C18H18O5 global charge 0 mol weight 314.337 InChIKey NHWWOCIDXQDDJV-DZGCQCFKSA-N InChI InChI=1S/C18H18O5/c19-14-5-1-3-11(7-14)8-15-13(10-23-18(15)22)9-12-4-2-6-16(20)17(12)21/h1-7,13,15,19-21H,8-10H2/t13-,15+/m0/s1 SMILES O=C1OC[C@H](CC2=C(O)C(O)=CC=C2)[C@H]1CC1=CC(O)=CC=C1 MNX internals InChI (mnx) InChI=1/C18H18O5/c19-14-5-1-3-11(7-14)8-15-13(10-23-18(15)22)9-12-4-2-6-16(20)17(12)21/h1-7,13,15,19-21H,8-10H2/t13-,15+/m0/s1 SMILES (mnx) [CH:1]1=[CH:3][C:11]([CH2:8][C@@H:15]2[C@@H:13]([CH2:9][C:12]3=[C:17]([OH:21])[C:16]([OH:20])=[CH:6][CH:2]=[CH:4]3)[CH2:10][O:23][C:18]2=[O:22])=[CH:7][C:14]([OH:19])=[CH:5]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0