mitchellene C

Properties Image MNX_ID MNXM106719 reference chebi:69351 formula C15H20O3 global charge 0 mol weight 248.322 InChIKey FWQDEFVNOHRDKU-BUOBCXDUSA-N InChI InChI=1S/C15H20O3/c1-7-3-4-10-8(2)13-12-11(10)9(7)5-6-15(12,17)14(16)18-13/h5-13,17H,3-4H2,1-2H3/t7-,8+,9-,10+,11-,12-,13+,15+/m0/s1 SMILES C[C@@H]1[C@H]2CC[C@H](C)[C@@H]3C=C[C@]4(O)C(=O)O[C@H]1[C@@H]4[C@@H]32 MNX internals InChI (mnx) InChI=1/C15H20O3/c1-7-3-4-10-8(2)13-12-11(10)9(7)5-6-15(12,17)14(16)18-13/h5-13,17H,3-4H2,1-2H3/t7-,8+,9-,10+,11-,12-,13+,15+/m0/s1 SMILES (mnx) [CH3:1][C@H:7]1[CH2:3][CH2:4][C@@H:10]2[C@@H:8]([CH3:2])[C@@H:13]3[C@@H:12]4[C@H:11]2[C@H:9]1[CH:5]=[CH:6][C@:15]4([OH:17])[C:14](=[O:16])[O:18]3

Parent-child relations graph

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