Metasequoic acid C, (rel)-

Properties Image MNX_ID MNXM106580 reference chebi:69961 formula C20H32O3 global charge 0 mol weight 320.473 InChIKey KKSRPYFDSRXBHV-PIGWEYSDSA-N InChI InChI=1S/C20H32O3/c1-13(12-18(21)22)6-8-16-14(2)7-9-17-19(16,4)11-10-15(3)20(17,5)23/h12,15-17,23H,2,6-11H2,1,3-5H3,(H,21,22)/b13-12+/t15-,16+,17-,19-,20-/m1/s1 SMILES C=C1CC[C@H]2[C@](C)(O)[C@H](C)CC[C@]2(C)[C@H]1CC/C(C)=C/C(=O)O MNX internals InChI (mnx) InChI=1/C20H32O3/c1-13(12-18(21)22)6-8-16-14(2)7-9-17-19(16,4)11-10-15(3)20(17,5)23/h12,15-17,23H,2,6-11H2,1,3-5H3,(H,21,22)/b13-12+/t15-,16+,17-,19-,20-/m1/s1 SMILES (mnx) [CH3:1]/[C:13]([CH2:6][CH2:8][C@H:16]1[C:14](=[CH2:2])[CH2:7][CH2:9][C@@H:17]2[C@:19]1([CH3:4])[CH2:11][CH2:10][C@@H:15]([CH3:3])[C@@:20]2([CH3:5])[OH:23])=[CH:12]\[C:18](=[O:21])[OH:22]

Parent-child relations graph

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