Eremolactone

Properties Image MNX_ID MNXM52449 reference lipidmapsM:LMPR0104440001 formula C20H26O2 global charge 0 mol weight 298.426 InChIKey XDOSSDQISIQOLI-MJNPNCJRSA-N InChI InChI=1S/C20H26O2/c1-12-5-7-20-8-6-14(10-16(12)20)19(3,4)17(20)11-15-9-13(2)18(21)22-15/h9-12,14,17H,5-8H2,1-4H3/b15-11-/t12-,14?,17?,20?/m0/s1 SMILES CC1=C/C(=C/C2C34CCC(C=C3[C@@H](C)CC4)C2(C)C)OC1=O MNX internals InChI (mnx) InChI=1/C20H26O2/c1-12-5-7-20-8-6-14(10-16(12)20)19(3,4)17(20)11-15-9-13(2)18(21)22-15/h9-12,14,17H,5-8H2,1-4H3/b15-11-/t12-,14?,17?,20?/m0/s1 SMILES (mnx) [CH3:1][C@H:12]1[CH2:5][CH2:7][C:20]23[CH2:8][CH2:6][CH:14]([CH:10]=[C:16]12)[C:19]([CH3:3])([CH3:4])[CH:17]3/[CH:11]=[C:15]1/[CH:9]=[C:13]([CH3:2])[C:18](=[O:21])[O:22]1

Parent-child relations graph

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