mitchellene E

Properties Image MNX_ID MNXM106721 reference chebi:69353 formula C15H24O3 global charge 0 mol weight 252.354 InChIKey JTUOWRWJSXCKMC-DKUYFVBVSA-N InChI InChI=1S/C15H24O3/c1-9-3-5-13(10(2)15(17)18)14-7-11(8-16)4-6-12(9)14/h7,9-10,12-14,16H,3-6,8H2,1-2H3,(H,17,18)/t9-,10+,12-,13+,14-/m0/s1 SMILES C[C@H]1CC[C@H]([C@@H](C)C(=O)O)[C@H]2C=C(CO)CC[C@H]21 MNX internals InChI (mnx) InChI=1/C15H24O3/c1-9-3-5-13(10(2)15(17)18)14-7-11(8-16)4-6-12(9)14/h7,9-10,12-14,16H,3-6,8H2,1-2H3,(H,17,18)/t9-,10+,12-,13+,14-/m0/s1 SMILES (mnx) [CH3:1][C@H:9]1[CH2:3][CH2:5][C@H:13]([C@@H:10]([CH3:2])[C:15](=[O:17])[OH:18])[C@H:14]2[CH:7]=[C:11]([CH2:8][OH:16])[CH2:4][CH2:6][C@@H:12]12

Parent-child relations graph

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