Paecilocin B, (rel)-

Properties Image MNX_ID MNXM107516 reference chebi:69301 formula C18H28O4 global charge 0 mol weight 308.418 InChIKey VKMFJAVAGSMZBP-ROUUACIJSA-N InChI InChI=1S/C18H28O4/c1-4-5-6-7-8-9-13-18(21-3)14-11-10-12-15(19)16(14)17(20-2)22-18/h10-12,17,19H,4-9,13H2,1-3H3/t17-,18-/m0/s1 SMILES CCCCCCCC[C@]1(OC)O[C@H](OC)C2=C(O)C=CC=C21 MNX internals InChI (mnx) InChI=1/C18H28O4/c1-4-5-6-7-8-9-13-18(21-3)14-11-10-12-15(19)16(14)17(20-2)22-18/h10-12,17,19H,4-9,13H2,1-3H3/t17-,18-/m0/s1 SMILES (mnx) [CH3:1][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:13][C@@:18]1([O:21][CH3:3])[C:14]2=[C:16]([C:15]([OH:19])=[CH:12][CH:10]=[CH:11]2)[C@@H:17]([O:20][CH3:2])[O:22]1

Parent-child relations graph

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