Cn1cc(nc1)C[C@@H](C(=O)O)N HMDB00001 CCC(=O)C(=O)O HMDB00005 CCC(C(=O)O)O HMDB00008 C[C@H](CC(=O)O)O HMDB00011 c1cn(c(=O)[nH]c1=O)[C@H]2C[C@@H]([C@H](O2)CO)O HMDB00012 CC(C)C(=O)C(=O)O HMDB00019 c1cc(ccc1CC(=O)O)O HMDB00020 COc1cc(ccc1O)CCN HMDB00022 C[C@@H](CO)C(=O)O HMDB00023 C(CNC(=O)N)C(=O)O HMDB00026 CC(C(C1CNc2c(c(=O)[nH]c(n2)N)N1)O)O HMDB00027 C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2 HMDB00030 C[C@]12CCC(C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O HMDB00031 C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C HMDB00032 c1c([nH]cn1)C[C@@H](C(=O)O)NC(=O)CCN HMDB00033 c1[nH]c2c(ncnc2n1)N HMDB00034 CC(C(C1=Nc2c(=O)[nH]c(nc2NC1)N)O)O HMDB00038 CCCC(=O)O HMDB00039 CC(=O)O HMDB00042 C([C@H]([C@H]1C(=O)C(=C(O1)O)O)O)O HMDB00044 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N HMDB00045 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N HMDB00050 N HMDB00051 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C HMDB00053 Cc1c(c([nH]c1/C=C\2/C(=C(C(=O)N2)C=C)C)Cc3c(c(c([nH]3)/C=C\4/C(=C(C(=O)N4)C)C=C)C)CCC(=O)O)CCC(=O)O HMDB00054 C(CN)C(=O)O HMDB00056 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O4)O)O)N HMDB00058 CC(=O)CC(=O)O HMDB00060 C[N+](C)(C)C[C@H](CC(=O)[O-])O HMDB00062 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@]4(C(=O)CO)O)C)O HMDB00063 CN(CC(=O)O)C(=N)N HMDB00064 C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCC(C4)O)C)C HMDB00067 CNC[C@@H](c1ccc(c(c1)O)O)O HMDB00068 C1CCNC(C1)C(=O)O HMDB00070 C(/C(=C/C(=O)O)/C(=O)O)C(=O)O HMDB00072 c1cc(c(cc1CCN)O)O HMDB00073 C1CNC(=O)NC1=O HMDB00076 C[C@]12CCC3C(C1CCC2=O)CC=C4[C@@]3(CC[C@@H](C4)O)C HMDB00077 C([C@@H](C(=O)NCC(=O)O)N)S HMDB00078 CC1CNC(=O)NC1=O HMDB00079 C[N+](C)(C)CCOP(=O)([O-])OC[C@H](CO)O HMDB00086 CNC HMDB00087 c1cn(c(=O)nc1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O HMDB00089 C(C(=O)O)C(CC(=O)O)(C(=O)O)O HMDB00094 C[N+](C)(C)CCO HMDB00097 C(CSC[C@@H](C(=O)O)N)[C@@H](C(=O)O)N HMDB00099 C([C@H]([C@@H]([C@@H]([C@H](CO)O)O)O)O)O HMDB00107 CCO HMDB00108 C(CC(=O)O)CN HMDB00112 C(C(=O)O)O HMDB00115 COc1cc(ccc1O)CC(=O)O HMDB00118 C(=O)C(=O)O HMDB00119 c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)c(=O)nc([nH]3)N HMDB00121 C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)O)O)O)O HMDB00122 C(C(=O)O)N HMDB00123 C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N HMDB00125 C(C(=O)O)NC(=N)N HMDB00128 C(C(CO)O)O HMDB00131 C(=C/C(=O)O)\C(=O)O HMDB00134 C([C@H](C(=O)O)O)O HMDB00139 C(=O)O HMDB00142 C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O HMDB00143 C(CC(=O)O)[C@@H](C(=O)O)N HMDB00148 C(CO)N HMDB00149 C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O HMDB00151 C([C@@H](C(=O)O)O)C(=O)O HMDB00156 c1[nH]c2c(n1)ncnc2O HMDB00157 c1cc(ccc1C[C@@H](C(=O)O)N)O HMDB00158 c1ccc(cc1)C[C@@H](C(=O)O)N HMDB00159 C[C@@H](C(=O)O)N HMDB00161 C1C[C@H](NC1)C(=O)O HMDB00162 C[C@H]([C@@H](C(=O)O)N)O HMDB00167 C([C@@H](C(=O)O)N)C(=O)N HMDB00168 C([C@@H]1[C@H]([C@@H]([C@@H](C(O1)O)O)O)O)O HMDB00169 CC[C@H](C)[C@@H](C(=O)O)N HMDB00172 c1[nH]c(=O)c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O HMDB00175 c1c(nc[nH]1)C[C@@H](C(=O)O)N HMDB00177 c1cc(c(cc1C[C@@H](C(=O)O)N)O)O HMDB00181 C(CCN)C[C@@H](C(=O)O)N HMDB00182 C([C@@H](C(=O)O)N)O HMDB00187 C[C@@H](C(=O)O)O HMDB00190 C([C@@H](C(=O)O)N)C(=O)O HMDB00191 C([C@@H](C(=O)O)N)SSC[C@@H](C(=O)O)N HMDB00192 C(C(C(C(=O)O)O)C(=O)O)C(=O)O HMDB00193 c1[nH]c(=O)c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O HMDB00195 c1ccc2c(c1)c(c[nH]2)CC(=O)O HMDB00197 CC(=O)OC(CC(=O)[O-])C[N+](C)(C)C HMDB00201 CC(C(=O)O)C(=O)O HMDB00202 CCCCCCCC/C=C\CCCCCCCC(=O)O HMDB00207 C(CC(=O)O)C(=O)C(=O)O HMDB00208 c1ccc(cc1)CC(=O)O HMDB00209 CC(C)(CO)C(C(=O)NCCC(=O)O)O HMDB00210 [C@@H]1([C@@H]([C@@H]([C@@H]([C@H]([C@@H]1O)O)O)O)O)O HMDB00211 C(C[C@@H](C(=O)O)N)CN HMDB00214 c1cc(c(cc1[C@H](CN)O)O)O HMDB00216 CCCCCCCCCCCCCCCC(=O)O HMDB00220 C(C(=O)C(=O)O)C(=O)O HMDB00223 C(COP(=O)(O)O)N HMDB00224 CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O HMDB00230 c1cc(c(nc1)C(=O)O)C(=O)O HMDB00232 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@]34C HMDB00234 Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO HMDB00235 CCC(=O)O HMDB00237 C[C@@H](C(=O)C1=Nc2c([nH]c(nc2=O)N)NC1)O HMDB00238 CC(=O)C(=O)O HMDB00243 Cc1cc2c(cc1C)n(c-3nc(=O)[nH]c(=O)c3n2)C[C@@H]([C@@H]([C@@H](CO)O)O)O HMDB00244 C([C@H]([C@H]([C@@H]([C@H](CO)O)O)O)O)O HMDB00247 C(CS(=O)(=O)O)N HMDB00251 CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2CC=C4[C@@]3(CC[C@H](C4)O)C)C HMDB00253 C(CC(=O)O)C(=O)O HMDB00254 c1cc2c(cc1O)c(c[nH]2)CCN HMDB00259 Cc1c[nH]c(=O)[nH]c1=O HMDB00262 C1CC(=O)N[C@@H]1C(=O)O HMDB00267 C([C@@H](C(=O)O)N)OP(=O)(O)O HMDB00272 Cc1cn(c(=O)[nH]c1=O)[C@H]2C[C@@H]([C@H](O2)CO)O HMDB00273 C([C@@H]1[C@H]([C@H](C(O1)O)O)O)O HMDB00283 c12c([nH]c(=O)[nH]1)[nH]c(=O)[nH]c2=O HMDB00289 c1[nH]c2c(n1)[nH]c(=O)[nH]c2=O HMDB00292 C(=O)(N)N HMDB00294 c1cn(c(=O)[nH]c1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O HMDB00296 c1c[nH]c(=O)[nH]c1=O HMDB00300 c1cc(c(cc1C(CO)O)O)O HMDB00318 C[C@H](CO)C(=O)O HMDB00336 C(C(CO)O)C(=O)O HMDB00337 CC(CC(=O)O)O HMDB00357 C(CO)C(C(=O)O)O HMDB00360 CC(C(=O)O)C(CC(=O)O)(C(=O)O)O HMDB00379 CC(C)C(C(=O)O)O HMDB00407 C(C(CC(=O)O)O)C(=O)O HMDB00428 c1cc(cc(c1)O)CC(=O)O HMDB00440 C(CCC(=O)O)CC(=O)O HMDB00448 CC[C@@H](C(=O)O)N HMDB00452 C1(C(=O)NC(=O)N1)NC(=O)N HMDB00462 [Ca+2] HMDB00464 C[C@@H]([C@@H](c1cnc2c(n1)c(=O)nc([nH]2)N)O)O HMDB00468 c1cc2c(cc1O)c(c[nH]2)CC(C(=O)O)N HMDB00472 Cn1cncc1C[C@@H](C(=O)O)N HMDB00479 CCCCCCCC(=O)O HMDB00482 CCC(C)C(=O)C(=O)O HMDB00491 [Cl-] HMDB00492 c1cc(ccc1C(=O)O)O HMDB00500 C[C@H](CCCC(C)C)C1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C=C4[C@@]3(CCC(C4)O)C)C HMDB00501 C([C@H]([C@H]([C@H](CO)O)O)O)O HMDB00508 C(C[C@@H](C(=O)O)N)CN=C(N)N HMDB00517 CCC(CC(=O)O)O HMDB00531 CCCCCC(=O)O HMDB00535 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N HMDB00538 [Mg+2] HMDB00547 CN1CC(=O)NC1=N HMDB00562 C(C(C(C(CO)O)O)O)O HMDB00568 C([C@@H](C(=O)O)N)S HMDB00574 [K+] HMDB00586 [Na+] HMDB00588 C(=O)(O)[O-] HMDB00595 [Cr+3] HMDB00599 C(CC(=O)O)[C@H](C(=O)O)O HMDB00606 Cc1cc2c(cc1C)N3C=N2[Co+]456(N7=C8[C@H](C(C7=CC9=N4C(=C(C1=N5[C@@](C2N6C(=C8C)[C@@]([C@H]2CC(=O)N)(CCC(=O)NC[C@H](OP(=O)(O[C@@H]2[C@H](O[C@H]3[C@@H]2O)CO)[O-])C)C)([C@@]([C@@H]1CCC(=O)N)(C)CC(=O)N)C)C)[C@@]([C@@H]9CCC(=O)N)(C)CC(=O)N)(C)C)CCC(=O)N)C#N HMDB00607 [Co+2] HMDB00608 C([C@H]([C@H](C(=O)O)O)O)O HMDB00613 CCC(C(=O)O)C(=O)O HMDB00622 CCCCCCCCCCCC(=O)O HMDB00638 C(CC(=O)N)[C@@H](C(=O)O)N HMDB00641 C1[C@@H]([C@@H]([C@H](C(O1)O)O)O)O HMDB00646 [Cu+2] HMDB00657 C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O HMDB00660 C(CC(=O)O)CC(=O)O HMDB00661 C(CCNC(=N)N)C[C@@H](C(=O)O)N HMDB00670 CCCCC/C=C\C/C=C\CCCCCCCC(=O)O HMDB00673 II HMDB00675 C(CSSCCC(C(=O)O)N)[C@@H](C(=O)O)N HMDB00676 c1ccc(c(c1)C(=O)C[C@@H](C(=O)O)N)N HMDB00684 CC(C)C[C@@H](C(=O)O)N HMDB00687 [Fe+2] HMDB00692 C(CC(=O)O)[C@@H](C(=O)O)O HMDB00694 CC(C)CC(=O)C(=O)O HMDB00695 CSCC[C@@H](C(=O)O)N HMDB00696 C(CO)C(=O)O HMDB00700 C(CC(=O)O)CO HMDB00710 c1ccc(cc1)C(=O)NCC(=O)O HMDB00714 c1ccc2c(c1)c(=O)cc([nH]2)C(=O)O HMDB00715 CC(C)CC(=O)O HMDB00718 C1CC(N(C1)C(=O)CN)C(=O)O HMDB00721 C(CS)C(C(=O)O)N HMDB00742 C(C(C(=O)O)O)C(=O)O HMDB00744 c1c(nc[nH]1)C[C@@H](C(=O)O)NC(=O)CCCN HMDB00745 C([C@@H]([C@H](C(=O)CO)O)O)O HMDB00751 CC(C)(CC(=O)O)O HMDB00754 c1cc(ccc1CC(C(=O)O)O)O HMDB00755 c1cc2c(cc1O)c(c[nH]2)CC(=O)O HMDB00763 C([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O HMDB00765 C(CCCC(=O)O)CCCC(=O)O HMDB00784 C[C@@H]([C@@H](C1CNc2c(c(=O)nc([nH]2)N)N1)O)O HMDB00787 c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C(=O)N[C@@H](CC(=O)O)C(=O)O HMDB00797 CCCCCCCCCCCCCC(=O)O HMDB00806 CC(=O)N[C@@H](CC(=O)O)C(=O)O HMDB00812 COc1cc(ccc1O)C(CN)O HMDB00819 CCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C HMDB00824 CCCCCCCCCCCCCCCCCC(=O)O HMDB00827 C1[C@@H]([C@H]([C@@H](O[C@@]1(C(=O)O)O)[C@@H]([C@@H](CO)O)O)N)O HMDB00830 c1c(nc2c(=O)[nH]c(nc2n1)N)C(C(CO)O)O HMDB00845 CC(C)O HMDB00863 c1c(nc[nH]1)CCN HMDB00870 CC(C)[C@@H](C(=O)O)N HMDB00883 C(CCCC(=O)O)CCC(=O)O HMDB00893 CC(=O)OCC[N+](C)(C)C HMDB00895 Cn1cc(nc1)CCN HMDB00898 C(C[C@@H](C(=O)O)N)CNC(=O)N HMDB00904 CN(C)C HMDB00906 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N[C@@H](CC(=O)O)C(=O)O HMDB00912 c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N HMDB00929 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N HMDB00939 C[S+](CCCN)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O HMDB00988 CC=O HMDB00990 C([C@@H](C(=O)O)N)S(=O)=O HMDB00996 CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc3ccccc3)C(=O)O)NC(=O)[C@H](Cc4ccc(cc4)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(=O)O)N HMDB01035 CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O HMDB01043 CN1C(CCC1=O)c2cccnc2 HMDB01046 CC(=O)NC(CC(=O)O)C(=O)NC(CCC(=O)O)C(=O)O HMDB01067 CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O HMDB01085 c1ccc(c(c1)C(=O)O)N HMDB01123 CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C/CCCC(=O)O)O)O)O HMDB01139 C[S+](CC[C@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O HMDB01185 CCCCC/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N HMDB01198 c1nc2c(=O)[nH]c(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O)N HMDB01201 CCCCC[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O)O HMDB01220 [Al+3] HMDB01247 C(CCNCCCN)CNCCCN HMDB01256 C(CCNCCCN)CN HMDB01257 C(CC(=O)O)C=O HMDB01259 c1nc2c(=O)[nH]c(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N HMDB01273 [Mo+2] HMDB01302 [Zn+2] HMDB01303 C[C@H](C(=O)O)N HMDB01310 C[C@H](C(=O)O)O HMDB01311 c1nc2c(=O)[nH]c(nc2n1[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O4)O)O)N HMDB01314 [P] HMDB01315 C[N+](C)(C)CCCC[C@@H](C(=O)[O-])N HMDB01325 [Rb+] HMDB01327 [Mn+2] HMDB01333 c1cc(c(cc1CC(=O)O)O)O HMDB01336 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O)N HMDB01341 CCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)(O)OCC[N+](C)(C)C)[C@@H](/C=C/CCCCCCCCCCCCC)O HMDB01348 [SeH4+2] HMDB01349 CCOP(=S)(OCC)Oc1ccc(cc1)[N+](=O)[O-] HMDB01355 Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)OP(=O)(O)O HMDB01372 CC(=O)NCCc1c[nH]c2c1cc(cc2)OC HMDB01389 CN1c2c(=O)[nH]c(nc2NCC1CNc3ccc(cc3)C(=O)N[C@H](CCC(=O)O)C(=O)O)N HMDB01396 CCCCC[C@@H](/C=C/[C@@H]1[C@H]([C@H](CC1=O)O)C/C=C\CCCC(=O)O)O HMDB01403 C(CCN)CN HMDB01414 C[C@H](CC[C@@H](C(C)C)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C HMDB01419 C(CCNC(=N)N)CN HMDB01432 COc1cc(ccc1O)CC(C(=O)O)N HMDB01434 CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@H](C4)O)C)C HMDB01449 CCCCC[C@@H](/C=C/[C@@H]1[C@H]([C@@H]2C[C@@H](O2)O1)C/C=C\CCCC(=O)O)O HMDB01452 C(#N)[S-] HMDB01453 [Zr+4] HMDB01475 c1cc(cnc1)C(=O)O HMDB01488 COc1cc(ccc1O)C(CO)O HMDB01490 Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O HMDB01491 C[C@H](CCCC(C)C)[C@H]1CC[C@H]2[C@@]1(CC[C@H]3C2[C@@H](C=C4[C@@]3(CC[C@@H](C4)O)C)O)C HMDB01496 C(CC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O)CCO HMDB01509 CNC(=N)N HMDB01522 CN(C)C(=N)NCCC[C@@H](C(=O)O)N HMDB01539 C[N+](C)(C)CCOP(=O)(O)O HMDB01565 C([C@H]([C@@H](C(=O)CO)O)O)O HMDB01644 CC(=O)C HMDB01659 CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C HMDB01830 C(=N)(N)N HMDB01842 Cn1cnc2c1c(=O)n(c(=O)n2C)C HMDB01847 C([C@@H](C([C@H](CO)O)O)O)O HMDB01851 c1cc2c(cc1O)c(c[nH]2)CCO HMDB01855 CC(=O)Nc1ccc(cc1)O HMDB01859 Cn1cnc2c1c(=O)n(c(=O)[nH]2)C HMDB01860 CC(C)C(=O)O HMDB01873 CO HMDB01875 CC(CO)O HMDB01881 Cn1c2c(c(=O)n(c1=O)C)[nH]cn2 HMDB01889 Cc1c(c2c(c(c1O)C)CC[C@@](O2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C HMDB01893 COc1ccc2c(c1)c(c[nH]2)CCO HMDB01896 CC(C)C[C@H](C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H](CCC(=O)N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCCN)NC(=O)[C@H]4CCCN4C(=O)[C@H](CCCNC(=N)N)N HMDB01897 c1cc(c(cc1C[C@@H](C(=O)O)N)[N+](=O)[O-])O HMDB01904 CN1CC[C@@]23CCCC[C@H]2[C@H]1Cc4c3cc(cc4)OC HMDB01920 CC(C)Cc1ccc(cc1)C(C)C(=O)O HMDB01925 C[C@H]1COc2c3n1cc(c(=O)c3cc(c2N4CCN(CC4)C)F)C(=O)O HMDB01929 C(CCN)CC(C(=O)O)NC(=O)CCCN HMDB01959 [SnH4+4] HMDB01960 [Ti+4] HMDB01966 c1ccc(cc1)C[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N2)Cc3ccc(cc3)O)N)C(=O)N4CCC[C@H]4C(=O)NC(CCCCN)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N HMDB01980 [W+4] HMDB01989 CCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C HMDB02013 CC(c1ccccc1)N HMDB02017 c1c([nH]cn1)CC(=O)O HMDB02024 C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CCC3=C2CC=C4[C@@]3(CC[C@@H](C4)O)C)C HMDB02027 CC(CNC(=O)N)C(=O)O HMDB02031 c12c([nH]c(=O)[nH]1)nc([nH]c2=O)N HMDB02032 CNCCCC[C@@H](C(=O)O)N HMDB02038 C([C@@H]1[C@H]([C@H]([C@@H](O1)n2c3c(c(=O)[nH]c(n3)N)[nH]c2=O)O)O)O HMDB02044 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC)CO)O)OC2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)OC)O)O HMDB02061 CCCCCCCCCCCCCCCC(=O)NCCO HMDB02100 C[C@H](CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)CO HMDB02103 O HMDB02111 CS(=O)C HMDB02151 Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)([O-])OC(C)CNC(=O)CCC\4(C(C5C6(C(C(C(=N6)/C(=C\7/C(C(C(=N7)/C=C\8/C(C(C(=N8)/C(=C4\[N-]5)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[Co+3] HMDB02174 [Si+4] HMDB02175 N(=O)O[O-] HMDB02179 CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O HMDB02183 c1ccnc(c1)C(=O)O HMDB02243 CCCCCC(C(C/C=C\C/C=C\C/C=C\CCCC(=O)O)O)O HMDB02265 Cc1cc2c(cc1C)N3C=N2[Co+3]456(N7=C8C(C(C7=CC9=N4C(=C(C1=N5C(C2N6C(=C8C)C(C2CC(=O)N)(CCC(=O)NCC(OP(=O)(OC2C(OC3C2O)CO)[O-])C)C)(C(C1CCC(=O)N)(C)CC(=O)N)C)C)C(C9CCC(=O)N)(C)CC(=O)N)(C)C)CCC(=O)N)C HMDB02274 CCCCC[C@H]1[C@H](O1)C/C=C\C/C=C\C/C=C\CCCC(=O)O HMDB02283 [As+3] HMDB02290 CSC HMDB02303 CCCCC/C=C\C/C=C\CC(C(C/C=C\CCCC(=O)O)O)O HMDB02311 CCCCC/C=C\CC(C(C/C=C\C/C=C\CCCC(=O)O)O)O HMDB02314 [Be+2] HMDB02387 [Ni+2] HMDB02457 [Br-] HMDB02500 [V+3] HMDB02503 [Ag+] HMDB02659 Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCOP(=O)(O)[O-] HMDB02666 C1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O HMDB02712 N(=O)[O-] HMDB02786 Cn1cc(nc1)CC(=O)O HMDB02820 Cn1cnc2c1c(=O)[nH]c(=O)n2C HMDB02825 CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N1)Cc2ccc(cc2)O)N)C(=O)N3CCCC3C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N HMDB02865 [N+](=O)([O-])[O-] HMDB02878 CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1CC(=O)CCCCC(=O)O)O)O)O HMDB02886 C([C@H](C([C@H](CO)O)O)O)O HMDB02917 C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C HMDB02961 C([C@H]([C@H](CO)O)O)O HMDB02994 C([C@@H](C(=O)O)NC(=N)N)C(=O)O HMDB03157 CCCCCCCC[C@@H]1[C@H](CCCO1)CCCCCCC HMDB03208 CCCCCC/C=C\CCCCCCCC(=O)O HMDB03229 CCCCC[C@@H](/C=C/[C@@H]1[C@H]([C@H](CC(O1)O)O)C/C=C\CCCC(=O)O)O HMDB03252 COc1cc(ccc1O)C(CO)OS(=O)(=O)O HMDB03332 C(CC(=O)NC(CSSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)C(=O)NCC(=O)O)C(C(=O)O)N HMDB03337 CCC=O HMDB03366 N#O HMDB03378 [O-]P(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-] HMDB03379 C([C@H](C(=O)O)N)O HMDB03406 C(CC(=O)O)CN=C(N)N HMDB03464 [Hg+2] HMDB03625 C[C@@H]1c2cc(c(cc2CCN1C)O)O HMDB03626 [Cd+2] HMDB03638 [Sr+2] HMDB03642 CCCCCC(=O)C HMDB03671 C(CCNC(=O)CC[C@@H](C(=O)O)N)C[C@@H](C(=O)O)N HMDB03869 CCCCC[C@@H](/C=C/C=C\C/C=C\C/C=C\CCCC(=O)O)O HMDB03876 C[C@H]1c2cc(c(cc2CCN1C)O)O HMDB03892 c1cc-2nc(nc2n(c1)CCCC[C@@H](C(=O)O)N)NCCC[C@@H](C(=O)O)N HMDB03933 CNCC(c1ccc(c(c1)OC)O)O HMDB04063 CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO HMDB04080 c1ccc(cc1)CC2c3ccccc3CCN2 HMDB04087 [Sb+3] HMDB04118 C([C@H]([C@@H](CO)O)O)O HMDB04136 [Au+] HMDB04138 [Ba+2] HMDB04142 [Ta+5] HMDB04143 C(CCN)C[C@@H](C(=O)O)NC(=O)[C@H](CCC(=O)O)N HMDB04207 C(CC(=O)C(=O)O)CN=C(N)N HMDB04225 CCCCC[C@H](/C=C/C1=C(C(=O)CC1)C/C=C\CCCC(=O)O)O HMDB04236 CC(=O)NCCC(=O)c1cc(ccc1NC=O)OC HMDB04259 CCCCCC1C(O1)C/C=C\C/C=C\C/C=C\CCCC(=O)O HMDB04264 CCCCCC(/C=C/C=O)O HMDB04362 CC(=O)N[C@@H](CCCNC(=N)N)C(=O)O HMDB04620 [Pb+2] HMDB04628 C(CC(=O)N[C@@H](CSN=O)C(=O)NCC(=O)O)[C@@H](C(=O)O)N HMDB04645 CCCCCCCC[C@H]1CCC[C@H]1CCCCCCC HMDB04659 CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC(CO)CO HMDB04666 CCCCC[C@@H](/C=C/C=C\CCCCCCCC(=O)O)O HMDB04667 CCCCC/C=C\C=C\C(=O)CCCCCCCC(=O)O HMDB04669 CCCCC/C=C\C=C\[C@H](CCCCCCCC(=O)O)O HMDB04670 CCCCC/C=C\C/C=C\C=C\[C@H](C/C=C\CCCC(=O)O)O HMDB04679 CCCCC/C=C\C=C/[C@@H](C/C=C\C/C=C/CCCC(=O)O)O HMDB04682 CCCCC/C=C\CC1C(O1)CCCCCCCC(=O)O HMDB04701 CCCCCC1C(O1)C/C=C\CCCCCCCC(=O)O HMDB04702 CCCCC/C=C\CC(C(CCCCCCCC(=O)O)O)O HMDB04704 CCCCCC(C(C/C=C\CCCCCCCC(=O)O)O)O HMDB04705 CCCCC[C@@H](/C=C/[C@H]([C@H](CCCCCCCC(=O)O)O)O)O HMDB04710 CS(=O)(=O)C HMDB04983 Cn1cncc1CC(=O)O HMDB04988 c1ccc2c(c1)C(=Nc3ccccc3S2)N4CCN(CC4)CCOCCO HMDB05021 CC1c2cc(c(cc2CCN1)O)O HMDB05199 c1cc(ccc1C[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)N)O HMDB05768 [Li+] HMDB05949 CCCCCC=O HMDB05994 C(CC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O)CCO HMDB05998 C1[C@H](NCC1O)C(=O)O HMDB06055 C(CCC(=O)O)C/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O HMDB06059 [C@@H]1([C@@H]([C@@H]([C@@H]([C@@H]([C@@H]1O)O)O)O)O)O HMDB06088 CCCCC/C=C\CC(/C=C\C=C/C/C=C/CCCC(=O)O)O HMDB06111 C(C=O)C=O HMDB06112 C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C=C4[C@@]3(CC[C@@H](C4)O)C)O)C HMDB06119 CC(C)CC=O HMDB06478 C1C[C@H](NC1)C(=O)N2C[C@@H](C[C@H]2C(=O)O)O HMDB06695 C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)[C@H](CCC(=O)N)N HMDB06730 CCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)(O)OCC[N+](C)(C)C)[C@@H](/C=C/CCCCCCCCCCCCC)O HMDB10169 CCCCCC(=O)/C=C/C=C\C/C=C\C/C=C\CCCC(=O)O HMDB10210 CCCCC/C=C\C/C=C\CC(/C=C\C=C\CCCC(=O)O)O HMDB10222 CCCCC/C=C/C=C/C(CCCCCCCC(=O)O)O HMDB10223 CC(=O)N[C@H]1[C@@H](O[C@@H]([C@H](C1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O[C@H]3[C@@H](C([C@@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)NC(=O)C)O)O)O)CO)O HMDB10366 CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O HMDB10384 CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O HMDB10395 CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O HMDB10396 CCCCC/C=C/CC1C(O1)C/C=C\C/C=C/CCCC(=O)O HMDB10409 CCCCC/C=C\C/C=C\C/C=C\C=C\[C@H](CCCC(=O)O)O HMDB11134 [O-][As]([O-])[O-] HMDB11620 CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)(O)OCC[N+](C)(C)C)[C@@H](/C=C/CCCCCCCCCCCCC)O HMDB11697 CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)(O)OCC[N+](C)(C)C)[C@@H](/C=C/CCCCCCCCCCCCC)O HMDB11698 C(CC(=O)N[C@@H](CCC(=O)N)C(=O)O)[C@@H](C(=O)O)N HMDB11738 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCC/C=C\CCCCCC)O HMDB12100 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCC/C=C\CCCCCCCC)O HMDB12101 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)O HMDB12107 c1ccc(cc1)C[C@@H]2C(=O)N[C@@H](C(=O)NC(C(=O)N[C@@H](CSSCC(C(=O)N[C@@H](C(=O)N2)Cc3ccc(cc3)O)N)C(=O)N4CCC[C@@H]4C(=O)N[C@H](CCCNC(=N)N)C(=O)O)CC(=N)O)CCC(=N)O HMDB12895 Cc1c2=CC3=[N]4C(=Cc5c(c(c6n5[Fe]47n2c(=CC8=[N]7C(=C6)C(=C8CCC(=O)O)C)c1CCC(=O)O)C)C(C)SCC(C(=O)NC)N)C(=C3C(C)SCC(C(=O)NC)N)C HMDB12920 CCC(C)[C@@H](C(=O)N[C@H](CCCNC(=N)[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](Cc3ccc(cc3)O)N HMDB12935 C[C@@H]([C@@H]1C(=O)N[C@@H](C(=O)NC(C(=O)N[C@@H](C(=O)N[C@@H](CCSSCC(C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N1)CCCCN)Cc2c[nH]c3c2cccc3)Cc4ccccc4)Cc5ccccc5)CC(=O)N)CCCCN)NC(=O)CNC(=O)[C@@H](C)N)C(=O)O)CO)C(C)O)Cc6ccccc6)O HMDB13072 CCCCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O HMDB13122 C[N+](C)(C)C[C@H](CC(=O)[O-])OC(=O)CCO HMDB13125 CCCCC(=O)O[C@@H](CC(=O)[O-])C[N+](C)(C)C HMDB13128 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCCCC/C=C\CCCCCCCC)O HMDB13461 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CC(CCCCC/C=C\CCCC)O)O HMDB13462 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CC(CCCCC/C=C\CCCCCC)O)O HMDB13463 CCCCCCCCCCCCCCC[C@H]([C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCC/C=C\CCCCCC)O HMDB13464 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)O HMDB13465 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CC(CCCCCCCCC/C=C\CCCCCCCC)O)O HMDB13466 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CC(CCCCCCCCC/C=C\C/C=C\CCCCC)O)O HMDB13467 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CC(CCCCCCCCCCC/C=C\CCCCCCCC)O)O HMDB13469