Ilimaquinone

Properties Image MNX_ID MNXM105698 reference chebi:70133 formula C22H30O4 global charge 0 mol weight 358.478 InChIKey JJWITJNSXCXULM-YVUMSICPSA-N InChI InChI=1S/C22H30O4/c1-13-7-6-8-18-21(13,3)10-9-14(2)22(18,4)12-15-19(24)16(23)11-17(26-5)20(15)25/h11,14,18,24H,1,6-10,12H2,2-5H3/t14-,18+,21+,22+/m0/s1 SMILES C=C1CCC[C@H]2[C@](C)(CC3=C(O)C(=O)C=C(OC)C3=O)[C@@H](C)CC[C@]12C MNX internals InChI (mnx) InChI=1/C22H30O4/c1-13-7-6-8-18-21(13,3)10-9-14(2)22(18,4)12-15-19(24)16(23)11-17(26-5)20(15)25/h11,14,18,24H,1,6-10,12H2,2-5H3/t14-,18+,21+,22+/m0/s1 SMILES (mnx) [CH2:1]=[C:13]1[CH2:7][CH2:6][CH2:8][C@@H:18]2[C@:21]1([CH3:3])[CH2:10][CH2:9][C@H:14]([CH3:2])[C@@:22]2([CH3:4])[CH2:12][C:15]1=[C:19]([OH:24])[C:16](=[O:23])[CH:11]=[C:17]([O:26][CH3:5])[C:20]1=[O:25]

Parent-child relations graph

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