5-methoxy-3-(2R-acetoxy-tridecyl)-1,4-benzoquinone

Properties Image MNX_ID MNXM47665 reference lipidmapsM:LMPK15050005 formula C22H34O5 global charge 0 mol weight 378.509 InChIKey JIUGZSYPFREDLG-HXUWFJFHSA-N InChI InChI=1S/C22H34O5/c1-4-5-6-7-8-9-10-11-12-13-20(27-17(2)23)15-18-14-19(24)16-21(26-3)22(18)25/h14,16,20H,4-13,15H2,1-3H3/t20-/m1/s1 SMILES CCCCCCCCCCC[C@H](CC1=CC(=O)C=C(OC)C1=O)OC(C)=O MNX internals InChI (mnx) InChI=1/C22H34O5/c1-4-5-6-7-8-9-10-11-12-13-20(27-17(2)23)15-18-14-19(24)16-21(26-3)22(18)25/h14,16,20H,4-13,15H2,1-3H3/t20-/m1/s1 SMILES (mnx) [CH3:1][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][C@H:20]([CH2:15][C:18]1=[CH:14][C:19](=[O:24])[CH:16]=[C:21]([O:26][CH3:3])[C:22]1=[O:25])[O:27][C:17]([CH3:2])=[O:23]

Parent-child relations graph

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