OC=O HMDB00142 OC1=CC=CC=C1 HMDB00228 [S--] HMDB00598 [Cr+3] HMDB00599 [Cu++] HMDB00657 [F-] HMDB00662 CC(C)(O)C(O)=O HMDB00729 C1=CC=NC=C1 HMDB00926 C1CNC(C1)C1=CC=CN=C1 HMDB01126 [Mn++] HMDB01333 C1=CC=CC=C1 HMDB01505 [Te+4] HMDB01854 CO HMDB01875 CN(C)C=O HMDB01888 NC1=CC=CC(=C1)C(O)=O HMDB01891 CC1=CC=CC=C1O HMDB02055 CCC1=CC=C(C=C1)C(O)=O HMDB02097 OC(=O)C1=CC=CC=C1C(O)=O HMDB02107 COC(=O)C1=CC=CC=C1C(O)=O HMDB02130 CC1=C(C=CC=C1)C(O)=O HMDB02340 [Be++] HMDB02387 [Br-] HMDB02500 [Cd++] HMDB03638 [Sb+3] HMDB04118 C1CCC(NC1)C1=CN=CC=C1 HMDB04350 [Pb++] HMDB04628 [Cs] HMDB13669 [Ce] HMDB13672 CC1C(C)C2(CCCO2)OC2C1OC1CC3OC4CC5OC6C\C=C/CC7OC8C=CC9OC%10C(CC9OC8C=CC7OC6CC(O)C5(C)OC4CC(C)CC3OC1C(C)C2O)OC1CC=CC(OC1C%10O)\C=C/C(O)CO HMDB29781 CCC1CCC2(CC(O)C(CO)CO2)OC1 HMDB30143 CC1CCCC(=O)CCC\C=C\C2=CC(O)=CC(O)=C2C(=O)O1 HMDB31752 CC1CCOC(O)(C2CC3OC(=O)C(C)C4CCCC5(CCC(O5)C(O)C5(C)CC(=O)C(O5)C5CC6(CCC(O6)(O5)C5CCC(C)(CC(C)\C=C(/C)\C=C\C3O2)O5)C(O)=O)O4)C1O HMDB32711 CC(C)(C1=CC=C(OCC2CO2)C=C1)C1=CC=C(OCC2CO2)C=C1 HMDB32737 ClC1=C(Cl)C=C(C=C1)\N=N\C1=CC(Cl)=C(Cl)C=C1 HMDB32856 CCOC(=O)NCC1=CC=C(OC2OC(C)C(O)C(O)C2O)C=C1 HMDB32864 [Cl-].[Cl-].C[N+]1=CC=C(C=C1)C1=CC=[N+](C)C=C1 HMDB33121 CC1C(C)C2(CCCO2)OC2C1OC1CC3OC4CC5OC6C\C=C/CC7OC8C=CC9OC%10C(CC9OC8C=CC7OC6CC(O)C5(C)OC4CC(C)CC3OC1C(C)C2O)OC1CC=CC(OC1C%10O)\C=C/C=C HMDB33124 COC1=CC(OC)=NC(NC(=O)NS(=O)(=O)C2=C(C=NN2C)C2=NN(C)N=N2)=N1 HMDB33145 CCOC1=NC(F)=CC2=NC(=NN12)S(=O)(=O)NC1=C(C=CC=C1Cl)C(=O)OC HMDB33147 COP(=S)(OC)OC1=CC=C(SC)C(C)=C1 HMDB33209 CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC HMDB33244 COC1=CC2=C(C(O)=C3C(=O)C=C(C)OC3=C2C2=C(OC)C=C3C=C4OC(C)(O)CC(=O)C4=C(O)C3=C2OC)C(OC)=C1 HMDB33289 CC(=O)OCC12C(O)C(=O)C(C)=CC1OC1C(O)CC2(C)C11CO1 HMDB33444 COC1=CC2=C(C(O)=C1)C(O)=C1C(=O)C=C(C)OC1=C2C1=C(OC)C=C2C=C3OC(C)=CC(=O)C3=C(O)C2=C1OC HMDB33488 COC1=CC2=C(C(O)=C1)C(OC)=C1C(=O)C=C(C)OC1=C2C1=C(OC)C=C2C=C3OC(C)=CC(=O)C3=C(OC)C2=C1O HMDB33489 CC1CCOC(O)(C2CC3OC(=O)C(C)C4CCCC5(CCC(O5)C(O)C5(C)CC(=O)C(O5)C5CC6(CO)CCC(O6)(O5)C5CCC(C)(CC(C)\C=C(/C)\C=C\C3O2)O5)O4)C1O HMDB33490 CC1CCOC(O)(C2CC3OC(=O)C(C)C4CCCC5(CCC(O5)C(O)C5(C)CC(=O)C(O5)C5CC6(C)CCC(O6)(O5)C5CCC(C)(CC(C)\C=C(/C)\C=C\C3O2)O5)O4)C1O HMDB33491 CC1CCOC(O)(C2CC3OC(=O)C(C)C4CCCC5(CCC(O5)C(O)C5(C)CC(=O)C(O5)C5CC6(CCC(O6)(O5)C5CCC(C)(CC(C)\C=C(/C)\C=C\C3O2)O5)C=O)O4)C1O HMDB33492 COC1=CC2=C(C(O)=C3C(=O)C=C(C)OC3=C2C2=C(O)C3=C(OC(C)=CC3=O)C3=C2C=C(OC)C=C3OC)C(OC)=C1 HMDB33498 NC(=O)OCC1C2NC(=N)NC22N(CC(OS(O)(=O)=O)C2(O)O)C(=N)N1O HMDB33506 NC(=O)OCC1NC(=N)N2CC(OS(O)(=O)=O)C(O)(O)C22NC(=N)NC12 HMDB33507 NC(=O)OCC1C2NC(=N)NC22N(CC(OS(O)(=O)=O)C2(O)O)C(=N)N1O HMDB33508 ON1C(COC(=O)NS(O)(=O)=O)C2NC(=N)NC22N(CC(OS(O)(=O)=O)C2(O)O)C1=N HMDB33509 OC1(O)C(CN2C(=N)NC(COC(=O)NS(O)(=O)=O)C3NC(=N)NC123)OS(O)(=O)=O HMDB33511 ON1C(COC(=O)NS(O)(=O)=O)C2NC(=N)NC22N(CCC2(O)O)C1=N HMDB33512 OC1(O)CCN2C(=N)NC(COC(=O)NS(O)(=O)=O)C3NC(=N)NC123 HMDB33513 CC1(C)CC(=O)C2=C(O1)C=CC(C(=O)CC(N)CO)=C2N HMDB33514 COC1=CC(CC2=CC(=O)CC(C)O2)=CC(O)=C1 HMDB33515 COC1=CC(CC(=O)CC(O)C(Cl)Cl)=CC(O)=C1 HMDB33516 COC1=CC(=O)OCC1 HMDB33517 OC1=CC2=C(C3C=COC3O2)C2=C1C(=O)C1=C(O)C=CC=C1O2 HMDB33657 OC1=CC2=C(C3CCOC3O2)C2=C1C(=O)C1=C(O)C=CC=C1O2 HMDB33658 COC1=CC2=C(C3CC(O)OC3O2)C2=C1C(=O)C1=C(OC)C=CC=C1O2 HMDB33659 OCC1C2NC(=N)NC22N(CCC2(O)O)C(=N)N1O HMDB33663 ONC(=O)OCC1NC(=N)N2CCC(O)(O)C22NC(=N)NC12 HMDB33664 ONC(=O)OCC1C2NC(=N)NC22N(CCC2(O)O)C(=N)N1O HMDB33665 COC1=CC2=C(C(O)=C3C(=O)CC(C)(O)OC3=C2C2=C(OC)C=C3C=C4OC(C)=CC(=O)C4=C(O)C3=C2OC)C(OC)=C1 HMDB33768 COC1=CC(OC)=C2C(O)=C3C(=O)CC(C)(O)OC3=CC2=C1 HMDB33866 C\C=N/N(C)C=O HMDB33952 OCC1=CC(=O)C(O)=C(O1)C1=C(O)C(=O)C=C(CO)O1 HMDB34034 COC1=C2C(O)=C3C(=O)CC(C)(O)OC3=CC2=CC(O)=C1 HMDB34124 CC1=CC=CC=C1 HMDB34168 CC(=O)CCC(=O)C1=COC=C1 HMDB34243 CCCCCCCCCCCCC HMDB34284 OC1OCC=C2OC(=O)C=C12 HMDB34299 [H][C@@]12COC3=C(C=C(OC)C(OC)=C3)[C@]1([H])C(=O)C1=CC=C3O[C@H](CC3=C1O2)C(C)=C HMDB34436 CC1=CC2OC3C(O)C(O)C(C)(C33CO3)C2(CO)CC1OC(=O)CC(C)(C)O HMDB34575 COC1=NC2=NC(=NN2C(OC)=C1)S(=O)(=O)NC1=C(Cl)C=CC(C)=C1Cl HMDB34850 CC1=NN(C(=O)N1C(F)F)C1=C(Cl)C=C(Cl)C(NS(C)(=O)=O)=C1 HMDB34852 FC1=CC2=C(C=C1N1C(=O)C3=C(CCCC3)C1=O)N(CC#C)C(=O)CO2 HMDB34854 COC(=O)C1=C(N(C)N=C1Cl)S(=O)(=O)NC(=O)NC1=NC(OC)=CC(OC)=N1 HMDB34859 CCCCCOC(=O)COC1=C(Cl)C=C(F)C(=C1)N1C(=O)C2=C(CCCC2)C1=O HMDB34860 COC(=O)C1=C(C=C(C)C=C1)C1=NC(=O)C(C)(N1)C(C)C HMDB34913 CC(=O)OC1C(O)C2OC3C=C(C)C(CC3(CO)C1(C)C21CO1)OC(C)=O HMDB35201 COC1=CC2=C(C3CCOC3O2)C2=C1C1=C(C(=O)CC1)C(=O)O2 HMDB35208 COC1=C(C)C(O)=C2COC(C)CC2=C1 HMDB35224 CC1C\C=C\C2C(O)C(C)=C(C)C3C(CC4=CC=CC=C4)NC(=O)C23C(O)\C=C/C(C)(O)C1 HMDB35366 CC1C\C=C\C2C(O)C(C)=C(C)C3C(CC4=CC=CC=C4)NC(=O)C23C(OC(C)=O)\C=C/C(C)(O)C1 HMDB35367 CC(C)CC(=O)OC1CC2(CO)C(OC3C(O)C(O)C2(C)C32CO2)C=C1C HMDB35396 COC1=CC2=C(C3CC(O)OC3O2)C2=C1C1=C(C(=O)CC1)C(=O)O2 HMDB35598 CC(=O)OC1C(O)C2OC3C=C(C)CCC3(CO)C1(C)C21CO1 HMDB35847 CC(=O)OCC12CCC(C)=CC1OC1C(O)C(O)C2(C)C11CO1 HMDB35848 OC1=CC2=C(C3C=COC3O2)C2=C1C1=C(C(=O)CC1)C(=O)O2 HMDB35914 CNC(=O)C(=N\OC)\C1=CC=CC=C1\C=N\OC(C)C1=CC=CC(=C1)C(F)(F)F HMDB36028 CC1=CC2OC3C(O)CC(C)(C33CO3)C2(CO)C(O)C1=O HMDB36156 CC(=O)OC1C(O)C2OC3C=C(C)C(O)CC3(CO)C1(C)C21CO1 HMDB36157 CC(=O)OCC12CC(O)C(C)=CC1OC1C(O)C(O)C2(C)C11CO1 HMDB36158 CC1=CC2OC3C(O)C(O)C(C)(C33CO3)C2(CO)CC1O HMDB36159 CC(=O)OC1CC2(CO)C(OC3C(O)C(O)C2(C)C32CO2)C=C1C HMDB36160 CCC(=O)OC1C(O)C2OC3C=C(C)C(CC3(COC(C)=O)C1(C)C21CO1)OC(=O)CC(C)C HMDB36161 CC(=O)OCC12CC(OC(=O)CC(C)(C)O)C(C)=CC1OC1C(O)C(O)C2(C)C11CO1 HMDB36162 CC1C(O)OCC1C(C)=O HMDB36594 CC(C)CC(=O)OC1CC2(COC(C)=O)C(OC3C(O)C(OC(C)=O)C2(C)C32CO2)C=C1C HMDB36600 CC(=O)OCC12CC(OC(=O)CC(C)(C)O)C(C)=CC1OC1C(O)C(OC(C)=O)C2(C)C11CO1 HMDB36601 COC(=O)C1=C(N=C(C(C2=NCCS2)=C1CC(C)C)C(F)(F)F)C(F)F HMDB37058 CC12CC3CC1(CO)OC1(CC4(C)CCC21CO4)O3 HMDB37070 OC(=O)C1=C(C=CC(OC2=C(Cl)C=C(C=C2)C(F)(F)F)=C1)N(=O)=O HMDB37112 O=C1CCC2=C3N1CCC3=CC=C2 HMDB37113 CC1(C)OC(CN1C(=O)C(Cl)Cl)C1=CC=CO1 HMDB37131 CC(=O)NC(CO)CC(=O)C1=CC=C2OC(C)(C)CC(=O)C2=C1N HMDB37499 CC1=CC2OC3C(O)CC(C)(C33CO3)C2(CO)C(O)C1O HMDB37560 OC1=CC=C(C=C1)C1=CC(=O)C2=C(O)C=C(OS(O)(=O)=O)C=C2O1 HMDB37851 OCC1NC(=N)N2CCC(O)(O)C22NC(=N)NC12 HMDB38319 CC1=CC2OC3CC(O)C(C)(C33CO3)C2(C)C(O)C1 HMDB38476 CCOC1CC2C(O1)OC1=C2C2=C(C3=C(C(=O)CC3)C(=O)O2)C(OC)=C1 HMDB38805 COC1=CC2=C(C3C=COC3O2)C2=C1C1=C(C(=O)C(O)C1)C(=O)O2 HMDB38806 COC1CC2C(O1)OC1=C2C2=C(C3=C(C(=O)CC3)C(=O)O2)C(OC)=C1 HMDB38807 CN(=O)=NCOC1OC(CO)C(O)C(O)C1O HMDB38850 CC\C(C)=C(\NC(=O)C1C=CCN1C(=O)C1NC(=O)C(NC(=O)C(NC)C(O)C2=CC(OC1(C)CC)=C(O)C=C2)C(C)=C)C(=O)N\C(=C\C(O)=O)C(O)=O HMDB38884 CC(=O)OCC12C(O)C(O)C(C)=CC1OC1C(CC2(C)C11CO1)OC(C)=O HMDB38916 CC1C(C)C2(CC(O)CO2)OC2C1OC1CC3OC4CC5OC6C\C=C/CC7OC8C=CC9OC%10C(CC9OC8C=CC7OC6CC(O)C5(C)OC4CC(C)CC3OC1C(C)C2O)OC1CC(O)CC(OC1C%10O)\C=C/C(O)CO HMDB39388 CC1C(C)C2(CC(O)CO2)OC2C1OC1CC3OC4CC5OC6C\C=C/CC7OC8C=CC9OC%10C(CC9OC8C=CC7OC6CC(O)C5(C)OC4CC(C)CC3OC1C(C)C2O)OC1CC(=O)CC(OC1C%10O)\C=C/C(O)CO HMDB39389 CC1C(C)C2(CC(O)CO2)OC2C1OC1CC3OC4CC5OC6C\C=C/CC7OC8C=CC9OC%10C(CC9OC8C=CC7OC6CC(O)C5(C)OC4CC(C)CC3OC1C(C)C2O)OC1CC(=O)CC(CC(O)C(O)CO)OC1C%10O HMDB39390 CC1C(C)C2(CC(O)CO2)OC2C1OC1CC3OC4CC5OC6C\C=C/CC7OC8C=CC9OC%10C(CC9OC8C=CC7OC6CC(O)C5(C)OC4CC(C)CC3OC1C(C)C2O)OC1CC(=O)CC(OC1C%10O)C(O)CC(O)CO HMDB39391 CC1C2(CCCO2)OC2C(OC3CC4OC5CC6OC7C\C=C/CC8OC9C=CC%10OC%11C(CC%10OC9C=CC8OC7CC(O)C6(C)OC5CC(C)CC4OC3C(C)C2O)OC2CC=CC(OC2C%11O)\C=C/C(O)CO)C1(C)O HMDB39392 CC1C(C)C2(CC(O)CO2)OC2C1OC1CC3OC4CC5OC6C\C=C/CC7OC8C=CC9OC%10C(CC9OC8C=CC7OC6CC(O)C5(C)OC4CC(C)CC3OC1C(C)C2O)OC1CC=CC(OC1C%10O)\C=C/C(O)CO HMDB39394 CCOC1=CC2=C(NC(C)(C)C=C2C)C=C1 HMDB39531 C[Si](CN1C=NC=N1)(C1=CC=C(F)C=C1)C1=CC=C(F)C=C1 HMDB39815 CCCCCCCCCCCCC\C(O)=N\C(CS(=O)CC(CO)CC1CC(O)C2(C)OC3CC4OC5CC6(C)OC7(C)CCC8OC9CC%10(C)OC%11C(CC%10OC9CC(C)C8OC7CC6OC5(C)C\C=C/C4OC3CC2O1)OC(=O)C=C%11C)C(O)=O HMDB39967 CCCCCCCCCCCCCCC\C(O)=N\C(CS(=O)CC(CO)CC1CC(O)C2(C)OC3CC4OC5CC6(C)OC7(C)CCC8OC9CC%10(C)OC%11C(CC%10OC9CC(C)C8OC7CC6OC5(C)C\C=C/C4OC3CC2O1)OC(=O)C=C%11C)C(O)=O HMDB39968 OCC1NC(=N)N2CC(OS(O)(=O)=O)C(O)(O)C22NC(=N)NC12 HMDB40137 [Na+].[O-]C1=CC=CC=C1C1=CC=CC=C1 HMDB40464 CO\N=C(/C)C1=C(C(=O)OC)C(OC2=NC(OC)=CC(OC)=N2)=CC=C1 HMDB40546 OC(C1=CC=C(Cl)C=C1)(C1=CN=CN=C1)C1=CC=CC=C1Cl HMDB40599 CCC(C)CC(C)\C=C(/C)C1OC(CCC1C)C1=C(O)C(=CN(C)C1=O)C1=CC=C(O)C=C1 HMDB41085 CN1N=C(C)C(C(=O)C2=C(Cl)C(C)=C(Cl)C=C2)=C1OCC(=O)C1=CC=C(C)C=C1 HMDB41340 NC(=O)C1=NN(C(=N1)C1=CC=CC=C1)C1=CC=C(Cl)C(COCC(F)(F)C(F)(F)F)=C1 HMDB41341 CC(Cl)(Cl)Cl HMDB41791 C=CC=C HMDB41792 CC1=C(N)C=C(N)C=C1 HMDB41799 OC1=C(Cl)C=CC(Cl)=C1 HMDB41800 CC1=C(N)C=CC=C1N HMDB41801 NC1=CC2=CC=CC=C2C=C1 HMDB41802 NC1=CC=C(CC2=CC=C(N)C=C2)C=C1 HMDB41808 C=CC=O HMDB41822 CCN=C1NC(NC(Cl)=N1)=NC(C)C HMDB41830 NC1=CC=C(C=C1)C1=CC=C(N)C=C1 HMDB41835 ClC1=CC=CC=C1 HMDB41855 CCOP(=S)(OCC)OC1=C(Cl)C=C(Cl)C(Cl)=N1 HMDB41856 OC1=NC(O)=NC(O)=N1 HMDB41861 [H][C@@](OC(=O)[C@]1([H])[C@]([H])(C=C(Br)Br)C1(C)C)(C#N)C1=CC(OC2=CC=CC=C2)=CC=C1 HMDB41866 COP(=S)(OC)OC1=CC=C(C(C)=C1)N(=O)=O HMDB41893 N=C1NC(=N)NC(=N)N1 HMDB41922 CC1=CC(C)=CC(C)=C1 HMDB41924 O=NN1CCCCC1C1=CN=CC=C1 HMDB41939 O=NN1CCCC1C1=CN=CC=C1 HMDB41940 O=N(=O)C1=CC=CC=C1 HMDB41950 ClC1=CC(Cl)=C(OC2=CC=C(C=C2)N(=O)=O)C=C1 HMDB41951 CC1=CC=CC=C1N HMDB41965 CC1=C(SSC1=S)C1=CN=CC=N1 HMDB41967 ClC1=CC=C(Cl)C=C1 HMDB41971 OC1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl HMDB41974 ClC(Cl)=C(Cl)Cl HMDB41980 CCOP(=S)(OCC)SCN1C(=O)OC2=C1C=CC(Cl)=C2 HMDB41985