compound 0044863

Properties Image MNX_ID MNXM1179701 reference envipathM:...02be531255cf formula C18H24O4 global charge 0 mol weight 304.386 InChIKey TYFZMVBUHCMYSH-XJVKIMEISA-N InChI InChI=1S/C18H24O4/c1-17-6-7-18(22)12(11(17)4-5-16(17)21)3-2-10-8-14(19)15(20)9-13(10)18/h8-9,11-12,16,19-22H,2-7H2,1H3/t11-,12-,16-,17-,18+/m0/s1 SMILES C[C@]12CC[C@]3(O)C4=C(C=C(O)C(O)=C4)CC[C@H]3[C@@H]1CC[C@@H]2O MNX internals InChI (mnx) InChI=1/C18H24O4/c1-17-6-7-18(22)12(11(17)4-5-16(17)21)3-2-10-8-14(19)15(20)9-13(10)18/h8-9,11-12,16,19-22H,2-7H2,1H3/t11-,12-,16-,17-,18+/m0/s1 SMILES (mnx) [CH3:1][C@:17]12[CH2:6][CH2:7][C@@:18]3([OH:22])[C@@H:12]([CH2:3][CH2:2][C:10]4=[CH:8][C:14]([OH:19])=[C:15]([OH:20])[CH:9]=[C:13]43)[C@@H:11]1[CH2:4][CH2:5][C@@H:16]2[OH:21]

Parent-child relations graph

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