brasiliquinone B

Properties Image MNX_ID MNXM103264 reference chebi:65517 formula C20H16O5 global charge 0 mol weight 336.343 InChIKey YXEPHAVILJDRHK-VIFPVBQESA-N InChI InChI=1S/C20H16O5/c1-2-9-6-10-8-14(23)17-18(15(10)13(22)7-9)19(24)11-4-3-5-12(21)16(11)20(17)25/h3-5,8-9,21,23H,2,6-7H2,1H3/t9-/m0/s1 SMILES CC[C@@H]1CC(=O)C2=C(C=C(O)C3=C2C(=O)C2=CC=CC(O)=C2C3=O)C1 MNX internals InChI (mnx) InChI=1/C20H16O5/c1-2-9-6-10-8-14(23)17-18(15(10)13(22)7-9)19(24)11-4-3-5-12(21)16(11)20(17)25/h3-5,8-9,21,23H,2,6-7H2,1H3/t9-/m0/s1 SMILES (mnx) [CH3:1][CH2:2][C@H:9]1[CH2:6][C:10]2=[CH:8][C:14]([OH:23])=[C:17]3[C:18](=[C:15]2[C:13](=[O:22])[CH2:7]1)[C:19](=[O:24])[C:11]1=[C:16]([C:12]([OH:21])=[CH:5][CH:3]=[CH:4]1)[C:20]3=[O:25]

Parent-child relations graph

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