3-hydroxylabda-8(20),13-dien-15-oic acid

Properties Image MNX_ID MNXM101841 reference chebi:69967 formula C20H32O3 global charge 0 mol weight 320.473 InChIKey LNWOKEZJIRLIDO-JDWPPCOPSA-N InChI InChI=1S/C20H32O3/c1-13(12-18(22)23)6-8-15-14(2)7-9-16-19(3,4)17(21)10-11-20(15,16)5/h12,15-17,21H,2,6-11H2,1,3-5H3,(H,22,23)/b13-12+/t15-,16-,17?,20+/m0/s1 SMILES C=C1CC[C@H]2C(C)(C)C(O)CC[C@]2(C)[C@H]1CC/C(C)=C/C(=O)O MNX internals InChI (mnx) InChI=1/C20H32O3/c1-13(12-18(22)23)6-8-15-14(2)7-9-16-19(3,4)17(21)10-11-20(15,16)5/h12,15-17,21H,2,6-11H2,1,3-5H3,(H,22,23)/b13-12+/t15-,16-,17?,20+/m0/s1 SMILES (mnx) [CH3:1]/[C:13]([CH2:6][CH2:8][C@H:15]1[C:14](=[CH2:2])[CH2:7][CH2:9][C@H:16]2[C:19]([CH3:3])([CH3:4])[CH:17]([OH:21])[CH2:10][CH2:11][C@:20]12[CH3:5])=[CH:12]\[C:18](=[O:22])[OH:23]

Parent-child relations graph

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