(11R)-carlactone

Properties Image MNX_ID MNXM97144 reference chebi:194508 formula C19H26O3 global charge 0 mol weight 302.414 InChIKey OTIYLZVFQIMLQH-UIUAQFKNSA-N InChI InChI=1S/C19H26O3/c1-13(12-21-17-11-15(3)18(20)22-17)8-9-16-14(2)7-6-10-19(16,4)5/h8-9,11-12,17H,6-7,10H2,1-5H3/b9-8+,13-12-/t17-/m1/s1 SMILES CC1=C[C@H](O/C=C(C)\C=C\C2=C(C)CCCC2(C)C)OC1=O MNX internals InChI (mnx) InChI=1/C19H26O3/c1-13(12-21-17-11-15(3)18(20)22-17)8-9-16-14(2)7-6-10-19(16,4)5/h8-9,11-12,17H,6-7,10H2,1-5H3/b9-8+,13-12-/t17-/m1/s1 SMILES (mnx) [CH3:1][C:13](/[CH:8]=[CH:9]/[C:16]1=[C:14]([CH3:2])[CH2:7][CH2:6][CH2:10][C:19]1([CH3:4])[CH3:5])=[CH:12]/[O:21][C@H:17]1[CH:11]=[C:15]([CH3:3])[C:18](=[O:20])[O:22]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 2