clavulolactone III

Properties Image MNX_ID MNXM47187 reference chebi:197144 formula C22H28O5 global charge 0 mol weight 372.461 InChIKey HSBZTFDKHKMFDC-PLWPPGCESA-N InChI InChI=1S/C22H28O5/c1-3-4-5-6-7-8-15-22(27-17(2)23)16-14-20(24)19(22)11-9-10-18-12-13-21(25)26-18/h7-11,14,16,18H,3-6,12-13,15H2,1-2H3/b8-7-,10-9+,19-11+/t18-,22-/m0/s1 SMILES CCCCC/C=C\C[C@]1(OC(C)=O)C=CC(=O)/C1=C\C=C\[C@H]1CCC(=O)O1 MNX internals InChI (mnx) InChI=1/C22H28O5/c1-3-4-5-6-7-8-15-22(27-17(2)23)16-14-20(24)19(22)11-9-10-18-12-13-21(25)26-18/h7-11,14,16,18H,3-6,12-13,15H2,1-2H3/b8-7-,10-9+,19-11+/t18-,22-/m0/s1 SMILES (mnx) [CH3:1][CH2:3][CH2:4][CH2:5][CH2:6]/[CH:7]=[CH:8]\[CH2:15][C@:22]1([O:27][C:17]([CH3:2])=[O:23])[CH:16]=[CH:14][C:20](=[O:24])/[C:19]1=[CH:11]\[CH:9]=[CH:10]\[C@H:18]1[CH2:12][CH2:13][C:21](=[O:25])[O:26]1

Parent-child relations graph

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