(S)-Hemiketal

Properties Image MNX_ID MNXM6689 reference chebi:81702 formula C16H16O6 global charge 0 mol weight 304.298 InChIKey YIEUIGLDTPWIHC-VQVVDHBBSA-N InChI InChI=1S/C16H16O6/c1-16(21)14-9(6-10(22-16)7-12(18)19)5-8-3-2-4-11(17)13(8)15(14)20/h2-4,10,17,21H,5-7H2,1H3,(H,18,19)/t10-,16?/m0/s1 SMILES CC1(O)O[C@H](CC(=O)O)CC2=C1C(=O)C1=C(O)C=CC=C1C2 MNX internals InChI (mnx) InChI=1/C16H16O6/c1-16(21)14-9(6-10(22-16)7-12(18)19)5-8-3-2-4-11(17)13(8)15(14)20/h2-4,10,17,21H,5-7H2,1H3,(H,18,19)/t10-,16?/m0/s1 SMILES (mnx) [CH3:1][C:16]1([OH:21])[C:14]2=[C:9]([CH2:5][C:8]3=[C:13]([C:11]([OH:17])=[CH:4][CH:2]=[CH:3]3)[C:15]2=[O:20])[CH2:6][C@@H:10]([CH2:7][C:12](=[O:18])[OH:19])[O:22]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0