C[N+](C)(C)CCO HMDB0000097
N[C@@H](CC1=CC=CC=C1)C(O)=O HMDB0000159
C[C@@H](O)[C@H](N)C(O)=O HMDB0000167
CC[C@H](C)[C@H](N)C(O)=O HMDB0000172
NCCCC[C@H](N)C(O)=O HMDB0000182
OC(=O)CC1=CNC2=C1C=CC=C2 HMDB0000197
[Co++] HMDB0000608
[Cu++] HMDB0000657
[F-] HMDB0000662
[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@@H](CC)C(C)C HMDB0000852
[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)\C=C\[C@@H](CC)C(C)C HMDB0000937
COC1=C(O)C=CC(\C=C\C(O)=O)=C1 HMDB0000954
COC1=C(O)C=C(\C=C\C(O)=O)C=C1 HMDB0000955
N#N HMDB0001371
O[C@@H]1C=C[C@@H](NCC2=CNC3=C2C(=O)NC(=N)N3)[C@@H]1O HMDB0001495
O[C@@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC(O)=C(O)C=C1 HMDB0001871
[H][C@]12CC[C@]3([H])[C@]([H])(C[C@@H](O)[C@]4(C)[C@H](CC[C@]34O)C3=CC(=O)OC3)[C@@]1(C)CC[C@@H](C2)O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](C)O1 HMDB0001917
CCCCCCCC\C=C/CCCCCCCCCCCC(O)=O HMDB0002068
COC1=CC(=CC(OC)=C1O)C(O)=O HMDB0002085
O HMDB0002111
OC1CCC(=O)OCC1O HMDB0002173
[H]C(=O)C1=CC=C(C=C1)C(C)C HMDB0002214
CC1=CC(=O)C2=C(O)C([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C(O)C=C2O1 HMDB0002336
OC(=O)C#CC1=CC=CC=C1 HMDB0002359
OC(=O)[C@@H](OC(=O)\C=C\C1=CC(O)=C(O)C=C1)[C@@H](C(O)=O)OC(=O)\C=C\C1=CC(O)=C(O)C=C1 HMDB0002375
[B+3] HMDB0002386
COC1=C(O)C=CC(=C1)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1 HMDB0002655
[H][C@]1(CC(=O)C2=C(O1)C=C(O)C=C2O)C1=CC=C(O)C=C1 HMDB0002670
N[C@@H](CCONC(N)=N)C(O)=O HMDB0002706
[Cl-].OC1=CC(O)=C2C=C(O)C(=[O+]C2=C1)C1=CC(O)=C(O)C=C1 HMDB0002708
OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC(O)=C(O)C(O)=C2)=C1 HMDB0002755
O[C@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC(O)=C(O)C=C1 HMDB0002780
[H][C@@]1(C2=C(C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=CC=C2)C(=O)C2=C1C=C(C=C2O)C(O)=O)[C@]1([H])C2=C(C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=CC=C2)C(=O)C2=C1C=C(C=C2O)C(O)=O HMDB0002783
C\C(\C=C\C=C(/C)\C=C\C1=C(C)C[C@@H](O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C HMDB0002789
CN1C=NC2=C1C(=O)NC(=O)N2C HMDB0002825
CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C HMDB0002869
[H][C@@]1(C2=C(C(O)=CC=C2)C(=O)C2=C1C=C(C=C2O)C(O)=O)[C@]1([H])C2=C(C(O)=CC=C2)C(=O)C2=C1C=C(C=C2O)C(O)=O HMDB0002895
OC1=C(O)C2=C3C(=C1)C(=O)OC1=C3C(=CC(O)=C1O)C(=O)O2 HMDB0002899
OC[C@H](O)C(O)[C@H](O)CO HMDB0002917
C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2OC2=CC(O)=C3C(=O)C[C@H](OC3=C2)C2=CC=C(O)C=C2)[C@H](O)[C@H](O)[C@H]1O HMDB0002927
COC1=C(O)C=C(C=C1)C1OC2=CC(O)=CC(O)=C2C(=O)C1O HMDB0002937
[H]O[C@]1([H])C([H])([H])[C@]2(O[C@@]2(\C([H])=C(/[H])\C(=C(/[H])\C(\[H])=C(/[H])\C(=C(/[H])\C(\[H])=C(/[H])\C(\[H])=C(\C(\[H])=C(/[H])\C(\[H])=C(\C([H])=C=C2[C@@](O[H])(C([H])([H])[H])C([H])([H])[C@@]([H])(O[H])C([H])([H])C2(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])/C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C1([H])[H])C([H])([H])[H] HMDB0003020
C[N+](C)(C)[C@@H](CC1=CNC(=S)N1)C([O-])=O HMDB0003045
O=C(\C=C\C1=CC=CC=C1)C1=CC=CC=C1 HMDB0003066
OC1C[C@@](O)(C[C@@H](O)[C@H]1O)C(O)=O HMDB0003072
CCCCC\C=C/C\C=C/C\C=C/CCCCC(O)=O HMDB0003073
[Cl-].OC1=CC(O)=C2C=C(O)C(=[O+]C2=C1)C1=CC(O)=C(O)C(O)=C1 HMDB0003074
O=C1C=C(OC2=CC=CC=C12)C1=CC=CC=C1 HMDB0003075
CN1C(=O)NC2=C(NC(=O)N2)C1=O HMDB0003099
OC1C[C@@]2(C)O[C@]2(\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\[C@@]23O[C@]2(C)CC(O)CC3(C)C)C(C)(C)C1 HMDB0003101
OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](OC2=C1)C1=CC(O)=C(O)C(O)=C1 HMDB0003153
O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\C2=CC(O)=C(O)C=C2)[C@@H]1O)C(O)=O HMDB0003164
[Cl-].COC1=CC(=CC(O)=C1O)C1=[O+]C2=CC(O)=CC(O)=C2C=C1O HMDB0003173
[Cl-].COC1=CC(=CC(OC)=C1O)C1=[O+]C2=CC(O)=CC(O)=C2C=C1O HMDB0003201
OC[C@H]1O[C@@](CO)(OC2O[C@H](COC3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O HMDB0003213
OC1=CC=C(C=C1)C1=COC2=CC(O)=CC(O)=C2C1=O HMDB0003217
[H][C@@]12C[C@@]3([H])[C@]4([H])CC[C@]([H])([C@@](C)(O)[C@@]5([H])CC(C)=C(C)C(=O)O5)[C@@]4(C)CC[C@]3([H])[C@@]3(C)C(=O)C=C[C@H](O)C13O2 HMDB0003218
OCC(O)C(O)C(O)C(O)C(=O)CO HMDB0003219
O[C@@H]1CC(C)=C(\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\[C@H]2C(C)=CC(O)CC2(C)C)C(C)(C)C1 HMDB0003233
CC(O)C(C)=O HMDB0003243
C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O HMDB0003249
OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](OC[C@H]3O[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]4CO)[C@H](O)[C@@H](O)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O HMDB0003255
COC1=CC=C(C=C1O)[C@@H]1CC(=O)C2=C(O1)C=C(OC1O[C@H](CO[C@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]1O)C=C2O HMDB0003265
OC1=CC=C(CCC(=O)C2=C(O)C=C(O)C=C2O)C=C1 HMDB0003306
OC1=CC=C(C=C1)C1=COC2=C(C=CC(O)=C2)C1=O HMDB0003312
OC(=O)C1=CNC2=CC=CC=C12 HMDB0003320
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O HMDB0003352
COC1=CC=C2C=C3C4=CC5=C(OCO5)C=C4CC[N+]3=CC2=C1OC HMDB0003409
O=C\C=C\C1=CC=CC=C1 HMDB0003441
OC[C@H]1O[C@@H](OC2=C(CO)C=CC=C2)[C@H](O)[C@@H](O)[C@@H]1O HMDB0003546
CC(C)CCCC(C)CCCC(C)CCC\C(C)=C\CC1=C(C)C(=O)C2=CC=CC=C2C1=O HMDB0003555
CN1[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)C1=CC=CC=C1 HMDB0003573
CC(=C)C1CCC(CO)=CC1 HMDB0003634
[H]C(=O)C1=CCC(CC1)C(C)=C HMDB0003647
CC1=CC[C@@H](CC1)C(C)(C)O HMDB0004043
 HMDB0004162
C1CCC(NC1)C1=CN=CC=C1 HMDB0004350
CN(C)CCC1=CC=C(O)C=C1 HMDB0004366
CNCCC1=CNC2=CC=CC=C12 HMDB0004370
C1N[C@@H](CC=C1)C1=CN=CC=C1 HMDB0004476
CCCCCC(O)CC(=O)CCC1=CC=C(O)C(OC)=C1 HMDB0005783
OCCC1=CC=C(O)C(O)=C1 HMDB0005784
OCC1=CNC2=CC=CC=C12 HMDB0005785
O[C@@H]1CC2=C(O[C@@H]1C1=CC3=C(C(O)=C1O)C(=O)C(O)=CC(=C3)[C@H]1OC3=C(C[C@H]1O)C(O)=CC(O)=C3)C=C(O)C=C2O HMDB0005788
O[C@@H]1[C@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)O[C@@H]2OC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(C=C(O)C(O)=C3O)C(=O)O[C@@H]1[C@@H]2O HMDB0005790
OC1COC(=O)C2=CC(O)=C(O)C(O)=C2C2=C3C(=O)OC4=C5C(C(=O)OC(C(O)=C2O)=C35)=C(C(O)=C4O)C2=C(C=C(O)C(O)=C2O)C(=O)OC1C1OC(=O)C2=C(O)C(O)=C(O)C=C2C2=C(O)C(O)=C(O)C=C2C(=O)OC1C=O HMDB0005795
CC1=C(C=O)C(C)(C)C[C@@H](C1)O[C@@H]1O[C@H](CO)C(O)[C@H](O)C1O HMDB0005796
[Cl-].COC1=C(O)C=CC(=C1)C1=[O+]C2=CC(O)=CC(O)=C2C=C1O HMDB0005797
OC1=CC2=C(C(O)=C1)C(=O)C=C(O2)C1=CC=C(O)C(O)=C1 HMDB0005800
OC1=CC=C(C=C1)C1=C(O)C(=O)C2=C(O1)C=C(O)C=C2O HMDB0005801
CC(C)C1=CC=C(C)C=C1 HMDB0005805
CC(C)C1=CCC(C)=CC1 HMDB0005806
OC(=O)C1=CC(O)=C(O)C(O)=C1 HMDB0005807
OC1=CC2=C(C(=O)C[C@H](O2)C2=CC(O)=C(O)C=C2)C(O)=C1 HMDB0005810
[H][C@]1(CC(=O)C2=C(C1)C=C(O[C@@H]1O[C@H](CO[C@@H]3O[C@@H](O)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]1O)C=C2O)C1=CC=C(O)C(O)=C1 HMDB0005811
CC(C)=CCC\C(C)=C/CO HMDB0005812
O[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H]1O HMDB0006088
OC[C@@H]1OC(O)[C@@H](O)[C@@H](O)[C@@H]1O HMDB0012326
OC(=O)C1=CC(OC2=C3C(=O)OC4=C(O)C(O)=CC5=C4C3=C(OC5=O)C(O)=C2O)=C(O)C(O)=C1 HMDB0029274
OC1=CC2=C(C3C(OC2=O)C(O)=C2OC(=O)C4=C5C(OC(=O)C3=C25)=C(O)C2=C4C3=C(C=C(O)C(O)=C3O)C(=O)O2)C(O)=C1O HMDB0029275
CC1C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(O)C(O)C2O)OC11CCC(C)CO1 HMDB0029310
COC1=CC(\C=C/C(=O)OCC[N+](C)(C)C)=CC(OC)=C1O HMDB0029379
CC1(C)C(O)CCC2(C)C(COC3=CC4=C(C=CC(=O)O4)C=C3)C(=C)CCC12 HMDB0029488
CC(C)=CCC1=C(O)C2=C(OCC(C2=O)C2=C(O)C(CC=C(C)C)=C(O)C=C2)C=C1O HMDB0030149
CCC1CCC2=C(C1O)C(=O)C(CO)=CO2 HMDB0030680
COC1=CC(OC)=C(C=C1OC)C1C(C)C(C)C1C1=CC(OC)=C(OC)C=C1OC HMDB0030749
COC1=C(O)C=CC(=C1)C1OC(C(C)C1C)C1=CC=C2OCOC2=C1 HMDB0030859
CC(C)C1C(=O)CC(C)C11CCC(C)C(=O)C1 HMDB0031348
CC(C)C1C(=O)CC(C)C11CC=C(C)C(=O)C1 HMDB0031349
CC(O)\C=C\C12OC1(C)CC(CC2(C)C)OC1OC(CO)C(O)C(O)C1O HMDB0031676
CCOC(=S)NCC1=CC=C(OC2OC(C)C(O)C(O)C2O)C=C1 HMDB0031944
CCCCCCCCCCCCC(O)C(O)CCC(O)C1CCC(CCCC(O)C(O)CCC(O)CC2=CC(C)OC2=O)O1 HMDB0032086
CCCCCCCCCCCCC(O)C1CCC(O1)C(O)CCC(O)CCCCCCCC(O)CC1=CC(C)OC1=O HMDB0032091
OC1COC(OCC2OC(OC3=CC=C(C=C)C=C3)C(O)C(O)C2O)C(O)C1O HMDB0032600
CS(=O)\C=C/C#C\C=C1\OC2(CCCO2)C=C1 HMDB0032670
CC(C)CC(=O)OCC1(CO1)C1=C(OC(=O)C(C)C)C=C(C)C=C1 HMDB0032700
OC1=CC=CC(CC2=NC=CN2)=C1OC1=CC=CC(CC2=NC=CN2)=C1 HMDB0032715
OC1=CC=C(OC2=CC=CC(CC3=NC=CN3)=C2)C(CC2=NC=CN2)=C1 HMDB0032716
COC1=CC=C(OC2=CC=CC(CC3=NC=CN3)=C2)C(CC2=NC=CN2)=C1 HMDB0032717
COC1=CC(CC2COC(=O)C2CC2=CC(OC)=C(OC)C(OC)=C2)=CC(OC)=C1OC HMDB0032728
COC1=CC=C(CC2COC(O)C2CC2=CC=C3OCOC3=C2)C=C1OC HMDB0032734
COC1=CC(CO)=CC(OC)=C1OC1OC(CO)C(O)C(O)C1O HMDB0032742
CON1C=C(C(=O)OC)C2=CC=CC=C12 HMDB0032755
CC1=CC2=C(C=C1)N(C=O)C1=CC=CC=C21 HMDB0032757
CCOC(=O)N1C2=CC=CC=C2C2=C1C=CC(C)=C2 HMDB0032758
OC1=C(\N=N\C2=CC=C(C3=CC=CC=C23)S(O)(=O)=O)C2=CC=C(C=C2C=C1S(O)(=O)=O)S(O)(=O)=O HMDB0032885
CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC HMDB0033244
CC(=O)C1CCC(C)=CC1 HMDB0033434
CCC(C)C(CC(O)CC(=O)OC(CC(O)CC(=O)OC1C(C)OC(OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(C=O)C5CCC4(C)C2(C)CC3O)C(OC2OC(C)C(OC3OCC(O)C(OC4OCC(O)(CO)C4O)C3O)C(O)C2O)C1O)C(C)CC)OC1OC(CO)C(O)C1O HMDB0033570
C=CCC1=CC2=C(OCO2)C=C1 HMDB0033591
[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 HMDB0034436
CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(O)=O HMDB0034533
CC1(C)OC2(C)CCC1(O)CC2OC1OC(CO)C(O)C(O)C1O HMDB0034874
CCC(=O)C1CC(C)C2(CCC3(C)C4=C(CCC23C)C2(C)CCC(O)C(CO)(CO)C2CC4)O1 HMDB0035221
CC(C(C\C=C(/C)C(O)=O)OC(C)=O)C1CC(O)C2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3=CCC12C HMDB0035225
CC(C)C12CC1C(=O)CC2 HMDB0035229
CC12CCC(C)(CC1C1=CC=C3C4(C)CCC(O)C(C)(CO)C4CCC3(C)C1(C)CC2)C(O)=O HMDB0035252
CC12CC(OC1=O)C1(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(CO)C5CCC34C)C1C2 HMDB0035256
COC(=O)C1(C)CCC2(C)CCC3(C)C(C=CC4C5(C)CCC(O)C(C)(CO)C5CCC34C)=C2C1 HMDB0035257
CC1(C)C(O)CCC2(C)C1CCC1(C)C2C(=O)C=C2C3CC(C)(CCC3(CO)CCC12C)C(O)=O HMDB0035259
CC12CCC(C)(CC1C1=CC(=O)C3C4(C)CCC(O)C(C)(CO)C4CCC3(C)C1(C)CC2)C(O)=O HMDB0035261
CC1(C)CCCC2(C)C(CCC(=C)C=C)C(C)(O)CCC12 HMDB0035276
CC(C)C1CC(O)C(=C)C=C1 HMDB0035277
CC1C2C(CC3C4CC=C5CC(O)CCC5(C)C4CCC23C)OC11CCC(C)CN1 HMDB0035282
C\C=C(\C)C(=O)O[C@@H]1C=C(C)CC[C@]2(O)[C@@H](C(C)C)CC(=O)[C@]12C HMDB0035286
CC(C)C1=C2C(=O)C3(C)CC=C(C)C(CC=C(C)C)C3C(=O)C2=C(C=O)C(O)=C1O HMDB0035297
CC1(C)CCCC2(C)C1CCC1(C=O)C2CC=C(CC1O)C=O HMDB0035311
OCC1OC(OC2C(O)C(O)C(OC3=CC(O)=C4C(=O)C=C(OC4=C3)C3=CC=C(O)C=C3)OC2CO)C(O)C(O)C1O HMDB0037852
COC1=C(C#N)C(=O)N(C)C=C1 HMDB0042006