anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CC(N)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CC(N)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 is an aminobutanoyl-CoA resulting from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3-aminobutanoic acid. Its functional parent is butyryl-CoA . Its functional parent is 3-aminobutanoic acid . It is a conjugate acid of 3-aminobutyryl-CoA(3-) . It is also related to or classified as aminobutanoyl-CoA .
The molecule CC1=CC(=CC(=C1C[C@@H]2CC(=O)OC2(C)C)C)O is a sesquiterpene lactone that is butan-4-olide substituted by geminal methyl groups at position 5 and a 4-hydroxy-2,6-dimethylbenzyl group at position 4. Isolated from Solanum lyratum, it exhibits cytotoxicity against human cancer cell lines. It has a role as a metabolite and an antineoplastic agent. It is a butan-4-olide, a member of phenols and a sesquiterpene lactone.
The molecule O([C@@H]1[C@@H](O)[C@H](O)[C@H](OC1O)CO)[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O O([C@@H]1[C@@H](O)[C@H](O)[C@H](OC1O)CO)[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O is A glycosylglucose consisting of beta-D-xylopyranose and D-glucopyranose residues joined in sequence by a (1->2) glycosidic bond. Its functional parent is beta-D-xylose . Its functional parent is D-glucopyranose . It is also related to or classified as glycosylglucose .
The molecule OC(=O)CCCc1ccc(cc1)N(CCCl)CCCl OC(=O)CCCc1ccc(cc1)N(CCCl)CCCl is A monocarboxylic acid that is butanoic acid substituted at position 4 by a 4-[bis(2-chloroethyl)amino]phenyl group. A chemotherapy drug that can be used in combination with the antibody obinutuzumab for the treatment of chronic lymphocytic leukemia. It has the role of alkylating agent . It has the role of antineoplastic agent . It has the role of immunosuppressive agent . It has the role of carcinogenic agent . It has the role of drug allergen .   It is also related to or classified as organochlorine compound  . It is also related to or classified as monocarboxylic acid , aromatic amine , nitrogen mustard , tertiary amino compound .
The molecule O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C=C3OC(=CC(=O)C3=C(O)C2)C4=CC(O)=C(O)C=C4)COC(=O)C(CC)C O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C=C3OC(=CC(=O)C3=C(O)C2)C4=CC(O)=C(O)C=C4)COC(=O)C(CC)C is Luteolin 7-[6''-(2-methylbutyryl)glucoside]. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule N[C@@H](C[n+]1ccc(O)c(O)c1)C(O)=O N[C@@H](C[n+]1ccc(O)c(O)c1)C(O)=O is A pyridinium ion that is L-alanine in which a methyl hydrogen is replaced by a 3,4-dioxidopyridinium-1-yl group. It is a conjugate acid of 3-(3,4-dioxidopyridinium-1-yl)-L-alanine(1-) . It is a conjugate acid of 3-(3,4-dihydroxypyridinium-1-yl)-L-alanine zwitterion . It is also related to or classified as pyridinium ion .
The molecule CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCCC(=O)O is the all-cis-isomer of a C22 polyunsaturated fatty acid having five double bonds in the 7-, 10-, 13-, 16- and 19-positions. It has a role as a human metabolite and an algal metabolite. It is a docosapentaenoic acid and an omega-3 fatty acid. It is a conjugate acid of a (7Z,10Z,13Z,16Z,19Z)-docosapentaenoate.
The molecule O=C1C=C[C@@H]([C@]1(O)C(=O)CCCCCCCCCCCCCC)OC(=O)C O=C1C=C[C@@H]([C@]1(O)C(=O)CCCCCCCCCCCCCC)OC(=O)C is 4-O-acetyl hygrophorone D14. It is also related to or classified as secondary alpha-hydroxy ketone  .
The molecule [C@@H]1(N2C=3C(=C(N=CN3)N)N=C2)O[C@H](COP(OP(OCC([C@H](C(NCCC(NCCSC(=O)CC(C)[NH3+])=O)=O)O)(C)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O [C@@H]1(N2C=3C(=C(N=CN3)N)N=C2)O[C@H](COP(OP(OCC([C@H](C(NCCC(NCCSC(=O)CC(C)[NH3+])=O)=O)O)(C)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O is an acyl-CoA oxoanion arising from deprotonation of phosphate and diphosphate functions as well as protonation of the amino group of 3-aminobutyryl-CoA; major species at pH 7.3. It is also related to or classified as acyl-CoA oxoanion .
The molecule CCCCC(CC)CO is a primary alcohol that is hexan-1-ol substituted by an ethyl group at position 2. It has a role as a volatile oil component and a plant metabolite.
The molecule CC(C)(CO)[C@@H](O)C(=O)NCCCO CC(C)(CO)[C@@H](O)C(=O)NCCCO is A monocarboxylic acid amide that is 3,3-dimethylbutanamide substituted by hydroxy groups at positions 2 and 4 and a 3-hydroxypropyl group at the carbomyl nitrogen. It has the role of cholinergic drug . It has the role of provitamin .  It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as amino alcohol .
The molecule C=1C(=CC=C(C1)F)C2N(C(CS2)=O)C3=NC=CC=C3 C=1C(=CC=C(C1)F)C2N(C(CS2)=O)C3=NC=CC=C3 is 2-(4-Fluorophenyl)-3-(2-pyridyl)thiazolidin-4-one. It has the role of anticoronaviral agent . It is also related to or classified as organofluorine compound  .
The molecule OC(=O)c1cccc(c1)C([O-])=O OC(=O)c1cccc(c1)C([O-])=O is A dicarboxylic acid monoanion that is the conjugate base of isophthalic acid. It is a conjugate acid of isophthalate(2-) . It is also related to or classified as dicarboxylic acid monoanion .
The molecule OC(Cc1cc(I)c(O)c(I)c1)C(O)=O OC(Cc1cc(I)c(O)c(I)c1)C(O)=O is A 2-hydroxy monocarboxylic acid that is lactic acid substituted by a 4-hydroxy-3,5-diiodophenyl group at position 3. Its functional parent is 2-hydroxypropanoic acid . It is a conjugate acid of 3-(4-hydroxy-3,5-diiodophenyl)lactate . It is also related to or classified as phenols  . It is also related to or classified as organoiodine compound  . It is also related to or classified as 2-hydroxy monocarboxylic acid .
The molecule C[C@H]1[C@@H]([C@@](C[C@H](O1)OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)(C)N=O)OC is a nucleotide-sugar oxoanion obtained by deprotonation of the diphosphate OH groups of dTDP-2,3,6-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose; major species at pH 7.3. It is a conjugate base of a dTDP-2,3,6-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose.
The molecule O=C1[C@]2([C@](OCC1)(C=C[C@@H]3[C@@H]2[C@@H](O)C[C@H](C)C3)C)C O=C1[C@]2([C@](OCC1)(C=C[C@@H]3[C@@H]2[C@@H](O)C[C@H](C)C3)C)C is Isoversiol A. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule OC(CCC/C=C\C\C=C/C=C/C=C/[C@H]([C@H](CCCCC)OO)OO)=O OC(CCC/C=C\C\C=C/C=C/C=C/[C@H]([C@H](CCCCC)OO)OO)=O is A bis(hydroperoxy)icosatetraenoic acid that is (5Z,8Z,10E,12E)-icosatetraenoic acid carrying two hydroperoxy substituents at positions 14 and 15 (the 14R,15S-stereoisomer). It has the role of human xenobiotic metabolite . It is a conjugate acid of 14(R),15(S)-DiHPETE(1-) . It is also related to or classified as bis(hydroperoxy)icosatetraenoic acid .
The molecule C1=CC=C(C=C1)CC2=NC(=CN3C2=NC(=C3O)CC4=CC=C(C=C4)O)C5=CC=C(C=C5)O is an imidazopyrazine that is imidazo[1,2-a]pyrazin-3(7H)-one in which positions 2, 6, and 8 are substituted by 4-hydroxybenzyl, 4-hydroxyphenyl, and benzyl groups, respectively. It has a role as a luciferin. It is a member of phenols and an imidazopyrazine. It derives from a hydride of an imidazo[1,2-a]pyrazine.
The molecule CC(=CC[C@H](CC1=C2C(=C(C=C1O)O)C(=O)C[C@H](O2)C3=C(C=CC=C3O)O)C(=C)C)C is a tetrahydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 5, 7, 2' and 6' and a lavandulyl group at position 8. Isolated from Sophora exigua and Artemisia indica, it exhibits antimalarial activity. It has a role as a metabolite and an antimalarial. It derives from a (2S)-flavanone.
The molecule COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC is A benzylisoquinoline alkaloid that is isoquinoline substituted by methoxy groups at positions 6 and 7 and a 3,4-dimethoxybenzyl group at position 1. It has been isolated from Papaver somniferum. It has the role of vasodilator agent . It has the role of antispasmodic drug . It is also related to or classified as benzylisoquinoline alkaloid , isoquinolines , dimethoxybenzene .
The molecule NC(=O)CN(CC(O)=O)CC([O-])=O NC(=O)CN(CC(O)=O)CC([O-])=O is 2,2'-[(2-amino-2-oxoethyl)imino]diacetate(1-). It is a conjugate acid of 2,2'-[(2-amino-2-oxoethyl)imino]diacetate(2-) . It is also related to or classified as ADA .
The molecule C1C[C@H](N(C1)C(=O)[C@H](CCCN=C(N)N)N)C(=O)N2C[C@@H](C[C@H]2C(=O)NCC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CO)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)O is an oligopeptide that is an analogue of bradykinin in which the third amino acid, proline, is replaced with hydroxyproline. It has a role as a human urinary metabolite and a bradykinin receptor agonist. It is an oligopeptide and a peptide hormone. It derives from a bradykinin. It is a conjugate base of a [Hyp(3)]-bradykinin(2+).
The molecule ClC1=C(O)C=C2O[C@@]34[C@H](C2=C1)SSSSC(C(N3OC)=O)NC4=O ClC1=C(O)C=C2O[C@@]34[C@H](C2=C1)SSSSC(C(N3OC)=O)NC4=O is Tetrathioaspirochlorine. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule O1C([C@H](O)C(O)[C@H](O)[C@@H]1OC2=CC=C([C@H]3OC=4C(C(=O)C3)=C(O)C=C(O)C4)C=C2)C O1C([C@H](O)C(O)[C@H](O)[C@@H]1OC2=CC=C([C@H]3OC=4C(C(=O)C3)=C(O)C=C(O)C4)C=C2)C is Naringenin 4'-O-alpha-L-rhamnopyranoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule [O-]C(CCC/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCCC)OO)OO)=O [O-]C(CCC/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCCC)OO)OO)=O is A bis(hydroperoxy)icosatetraenoate that is the conjugate base of 14(R),15(S)-DiHPETE, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as bis(hydroperoxy)icosatetraenoate .
The molecule C1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O is a disaccharide consisting of beta-D-glucopyranose and beta-D-arabinopyranose residues joined in sequence by a (1->3) glycosidic bond. It derives from a beta-D-glucose and a beta-D-arabinopyranose.
The molecule Cc1[nH]cnc1CN1CCc2c(C1=O)c1ccccc1n2C Cc1[nH]cnc1CN1CCc2c(C1=O)c1ccccc1n2C is A pyrido[4,3-b]indole compound having a 5-methyl-1H-imidazol-4-ylmethyl group at the 2-position. It has the role of serotonergic antagonist . It has the role of antiemetic . It has the role of gastrointestinal drug . It is also related to or classified as imidazoles , pyridoindole .
The molecule C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)O)N is a tripeptide composed of L-alanine, L-aspartic acid, and glycine units joined in sequence by peptide linkages. It has a role as a metabolite. It derives from a L-alanine, a L-aspartic acid and a glycine.
The molecule CCCCC/C=C\\C/C=C\\C/C=C\\CCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O is a lysophosphatidylcholine 20:3/0:0 in which the acyl group at position 1 is specified as (8Z,11Z,14Z)-icosatrienoyl. It is a 1-O-acyl-sn-glycero-3-phosphocholine and a lysophosphatidylcholine 20:3/0:0. It derives from an all-cis-icosa-8,11,14-trienoic acid.
The molecule [Cl-].CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 [Cl-].CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 is A (synthetic) quaternary ammonium salt that is benzyldimethylamine in which the nitrogen is quaternised by a 2-{2-[p-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy}ethyl group, with chloride as the counter-ion. An antiseptic and disinfectant, it is active against a broad spectrum of bacteria, fungi, moulds and viruses. It has the role of antiviral agent . It has the role of antibacterial agent . It has the role of antifungal agent . It has the role of antiseptic drug . It has the role of disinfectant . It is also related to or classified as chloride salt , quaternary ammonium salt , aromatic ether .
The molecule O=C1O[C@H](CC=CC(=O)[C@H](O)[C@@H](CC=CC=2C1=C(O)C=C(OC)C2)O)C O=C1O[C@H](CC=CC(=O)[C@H](O)[C@@H](CC=CC=2C1=C(O)C=C(OC)C2)O)C is Cochliomycin F. It is also related to or classified as macrolide  . It is also related to or classified as resorcinols .
The molecule C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@@H](C)CO)C)CN(C)CC3=CC=C(C=C3)OC C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@@H](C)CO)C)CN(C)CC3=CC=C(C=C3)OC is N-[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule O1C(OC2=C(CCC(=O)C)C=C3C(OC(=O)C=C3)=C2)C(O)C(O)C(O)C1C(O)=O O1C(OC2=C(CCC(=O)C)C=C3C(OC(=O)C=C3)=C2)C(O)C(O)C(O)C1C(O)=O is 3,4,5-trihydroxy-6-{[2-oxo-6-(3-oxobutyl)-2H-chromen-7-yl]oxy}oxane-2-carboxylic acid.  It is also related to or classified as glycoside  . It is also related to or classified as coumarins .
The molecule C(=C\C=C\[C@H](CCCCC)OO)\C=C\[C@H](C/C=C\CCCC(O)=O)OO C(=C\C=C\[C@H](CCCCC)OO)\C=C\[C@H](C/C=C\CCCC(O)=O)OO is an icosanoid that is (5Z,9E,11Z,13E)-icosatetraenoic acid carrying two hydroperoxy substituents at positions 8 and 15 (the 8S,15S-stereoisomer). It has the role of mouse metabolite . It has the role of human xenobiotic metabolite . Its functional parent is arachidonic acid . It is a conjugate acid of 8(S),15(S)-DiHPETE(1-) . It is also related to or classified as bis(hydroperoxy)icosatetraenoic acid .
The molecule CCC(CC)N is a primary aliphatic amine that is pentane substituted by an amino group at position 3. Metabolite observed in cancer metabolism. It has a role as a human metabolite. It derives from a hydride of a pentane.
The molecule Cl[Fe](Cl)Cl Cl[Fe](Cl)Cl is iron trichloride. It has the role of Lewis acid . It has the role of astringent . It is also related to or classified as iron coordination entity .
The molecule OC(=O)c1cccc(O)c1 OC(=O)c1cccc(O)c1 is A monohydroxybenzoic acid that is benzoic acid substituted by a hydroxy group at position 3. It has been isolated from Taxus baccata. It is used as an intermediate in the synthesis of plasticisers, resins, pharmaceuticals, etc. It has the role of plant metabolite . It has the role of bacterial metabolite . Its functional parent is benzoic acid . It is a conjugate acid of 3-hydroxybenzoate . It is also related to or classified as monohydroxybenzoic acid .
The molecule CC1OC(C)OC(C)O1 CC1OC(C)OC(C)O1 is A trioxane that is 1,3,5-trioxane substituted by methyl groups at positions 2, 4 and 6. It has the role of sedative . It is also related to or classified as trioxane  .
The molecule O1[C@@H](CCC2=C1C(=C(OC)C=C2)C)C3=CC=C(O)C=C3 O1[C@@H](CCC2=C1C(=C(OC)C=C2)C)C3=CC=C(O)C=C3 is 4'-Hydroxy-7-methoxy-8-methylflavan. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule COC1=C2C(=C3[C@@H]4CCO[C@@H]4OC3=C1)OC5=CC=CC(=C5C2=O)O is a sterigmatocystin whose skeleton comprises a xanthone ring system ortho-fused to a dihydrofuranofuran moiety. It has a role as a metabolite and a carcinogenic agent. It is a member of sterigmatocystins and a cyclic acetal.
The molecule O=C/1N[C@H](C(=O)N\C1=C/C(=O)C2=C(NC(=O)C(C=C)(C)C)C=CC=C2)C O=C/1N[C@H](C(=O)N\C1=C/C(=O)C2=C(NC(=O)C(C=C)(C)C)C=CC=C2)C is Golmaenone. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C(=C/C=C/[C@H](CCCCC)OO)/C=C/[C@H](C/C=C\CCCC([O-])=O)OO C(=C/C=C/[C@H](CCCCC)OO)/C=C/[C@H](C/C=C\CCCC([O-])=O)OO is an icosanoid anion that is the conjugate base of 8(S),15(S)-DiHPETE, obtained by deprotonation of the carboxy group; major species at pH 7.3. Its functional parent is arachidonate .  It is also related to or classified as hydroperoxy polyunsaturated fatty acid anion  . It is also related to or classified as long-chain fatty acid anion  . It is also related to or classified as bis(hydroperoxy)icosatetraenoate , icosanoid anion .
The molecule C([C@H]([C@H]([C@@H](C(=O)[O-])O)O)O)O is conjugate base of D-arabinonic acid. It is a conjugate base of a D-arabinonic acid. It is an enantiomer of a L-arabinonate.
The molecule O(C1=C(C2C(C(CC(=C2)C)C3=C(O)C=C(O)C=C3)C(=O)C4=C(O)C5=C(OC(C=C5)(C)C)C=C4)C(O)=C(C=C1)C(=O)/C=C/C6=C(O)C=C(O)C=C6)C7OC(C(O)C(O)C7O)C(O)=O O(C1=C(C2C(C(CC(=C2)C)C3=C(O)C=C(O)C=C3)C(=O)C4=C(O)C5=C(OC(C=C5)(C)C)C=C4)C(O)=C(C=C1)C(=O)/C=C/C6=C(O)C=C(O)C=C6)C7OC(C(O)C(O)C7O)C(O)=O is 6-{2-[5-(2,4-dihydroxyphenyl)-6-(5-hydroxy-2,2-dimethyl-2H-chromene-6-carbonyl)-3-methylcyclohex-2-en-1-yl]-4-[(2E)-3-(2,4-dihydroxyphenyl)prop-2-enoyl]-3-hydroxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@H](C)CO)C)CN(C)C(=O)C4CCCCC4 C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@H](C)CO)C)CN(C)C(=O)C4CCCCC4 is N-[(3S,9S,10R)-9-[[[cyclohexyl(oxo)methyl]-methylamino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule OC(Cc1ccc(O)c(O)c1)C(O)=O OC(Cc1ccc(O)c(O)c1)C(O)=O is 3-(3,4-dihydroxyphenyl)lactic acid. Its functional parent is rac-lactic acid . It is a conjugate acid of 3-(3,4-dihydroxyphenyl)lactate . It is also related to or classified as catechols  . It is also related to or classified as 2-hydroxy monocarboxylic acid .
The molecule C1C[C@H](N(C1)C(=O)[C@H](CC(=O)N)N)C(=O)O is a dipeptide composed of L-asparagine and L-proline joined by a peptide linkage. It has a role as a metabolite. It derives from a L-asparagine and a L-proline.
The molecule ClC1=C(/C=C/C)[C@@H](O)[C@@H]([C@H]1O)Cl ClC1=C(/C=C/C)[C@@H](O)[C@@H]([C@H]1O)Cl is Cyclohelminthol IV. It is also related to or classified as alcohol  . It is also related to or classified as organochlorine compound  .
The molecule [H][O+]([H])[H] [H][O+]([H])[H] is oxonium. It is a conjugate acid of water . It is also related to or classified as oxygen hydride , onium cation .
The molecule CC(C)c1ccc(cc1)C([O-])=O CC(C)c1ccc(cc1)C([O-])=O is A cumate that is the conjugate base of p-cumic acid. It has the role of plant metabolite . It is also related to or classified as cumate  .
The molecule N1C(=C(C(=C1C(=O)O)C=2C3=CC=CC=C3NC2)C=4C5=CC=CC=C5NC4)C(O)=O N1C(=C(C(=C1C(=O)O)C=2C3=CC=CC=C3NC2)C=4C5=CC=CC=C5NC4)C(O)=O is A pyrroledicarboxylic acid that is pyrrole-2,5-dicarboxylic acid in which the hydrogens at positions 3 and 4 have been replaced by indol-3-yl groups. It has the role of bacterial metabolite . It is a conjugate acid of chromopyrrolate(2-) . It is also related to or classified as indoles , pyrroledicarboxylic acid .
The molecule C[C@H](CC/C=C(\\C)/C(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C is a C27 bile acid that is 5beta-cholest-24-en-26-oic acid substituted by hydroxy groups at positions 3alpha and 7beta. It has a role as a metabolite. It is a cholestanoid, a 3alpha-hydroxy steroid, a dihydroxy monocarboxylic acid, a bile acid, a 7beta-hydroxy steroid and an alpha,beta-unsaturated monocarboxylic acid. It derives from a hydride of a 5beta-cholestane.
The molecule C(=C1C[N@+]2(C)[C@@](CC1)(CCCC2)[H])(C3=CC=CS3)C4=CC=CS4.[Br-] C(=C1C[N@+]2(C)[C@@](CC1)(CCCC2)[H])(C3=CC=CS3)C4=CC=CS4.[Br-] is A organic bromide salt of tiquizium. It is an antispasmodic drug used for the treatment of convulsion and hypermobility in gastritis, gastric ulcer, duodenal ulcer, enteritis, irritable bowel syndrome, gallbladder disease, biliary tract disease and urolithiasis. It has the role of muscarinic antagonist . It has the role of anti-ulcer drug . It has the role of antispasmodic drug . It is also related to or classified as quaternary ammonium salt , organic bromide salt .
The molecule O1C([C@H](O)C(O)[C@H](O)[C@@H]1OC2=C(OC)C(O)=C3C(OC(=CC3=O)C4=CC=C(O)C=C4)=C2)C O1C([C@H](O)C(O)[C@H](O)[C@@H]1OC2=C(OC)C(O)=C3C(OC(=CC3=O)C4=CC=C(O)C=C4)=C2)C is Hispidulin 7-rhamnoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule Oc1ccccc1CCC([O-])=O Oc1ccccc1CCC([O-])=O is A monocarboxylic acid anion that is obtained by removal of a proton from the carbosylic acid group of 3-(2-hydroxyphenyl)propanoic acid. It has the role of plant metabolite . It has the role of human xenobiotic metabolite . It has the role of fungal xenobiotic metabolite . It has the role of bacterial xenobiotic metabolite . Its functional parent is propionate . It is also related to or classified as monocarboxylic acid anion  .
The molecule C=1C=C(C=NC1)C(OCC2=CC=CC=C2)=O C=1C=C(C=NC1)C(OCC2=CC=CC=C2)=O is A benzyl ester resulting from the formal condensation of the carboxy group of nicotinic acid with benzyl alcohol. It has been used as a rubefacient. It has the role of vasodilator agent . Its functional parent is nicotinic acid . It is also related to or classified as benzyl ester .
The molecule O[C@@H]([C@H](O)[C@@H](O)C=O)[C@@H](O)CO O[C@@H]([C@H](O)[C@@H](O)C=O)[C@@H](O)CO is the open chain form of L-idose. It is also related to or classified as L-idose  .
The molecule C1=CC=C2C(=C1)C(=CN2)CCCC(=O)NCCCCC(C(=O)N)NC(=O)C(CCCCNC(=O)C(CCCCNC(=O)CCCCCNC(=O)C3=CC=C(O3)[N+](=O)[O-])N)N is a tripeptide that consists of N(6)-lysyl-lysyl-lysinamide where the two side-chain amino functions are acylated by 4-(indol-3-yl)butanoyl and 6-[(5-nitro-2-furoyl)amino]hexanoyl groups. It is a tripeptide, a C-nitro compound, a member of furans and a member of indoles.
The molecule Cc1c2ccccc2c(CBr)c2ccc3ccccc3c12 Cc1c2ccccc2c(CBr)c2ccc3ccccc3c12 is A member of the class of tetraphenes that is tetraphene in which the hydrogens at positions 7 and 12 are replaced by bromomethyl and methyl groups, respectively. It has the role of mutagen . It is also related to or classified as organobromine compound  . It is also related to or classified as tetraphenes .
The molecule CC1COC2(N1CC(=O)Nc1ccc(Cl)cc21)c1ccccc1Cl CC1COC2(N1CC(=O)Nc1ccc(Cl)cc21)c1ccccc1Cl is mexazolam. It is also related to or classified as hemiaminal ether  . It is also related to or classified as oxazolobenzodiazepine .
The molecule N1C(=C(C(=C1C(=O)[O-])C=2C3=CC=CC=C3NC2)C=4C5=CC=CC=C5NC4)C([O-])=O N1C(=C(C(=C1C(=O)[O-])C=2C3=CC=CC=C3NC2)C=4C5=CC=CC=C5NC4)C([O-])=O is A dicarboxylic acid dianion obtained by deprotonation of both carboxy groups of chromopyrrolic acid; major microspecies at pH 7.3. It is also related to or classified as dicarboxylic acid dianion  .
The molecule C1=CC(=C(C=C1C2=CC(=C(C=C2)Cl)Cl)Cl)Cl is a tetrachlorobiphenyl that is biphenyl in which the hydrogens at position 3 and 4 on each phenyl group are replaced by chlorines. It is a tetrachlorobiphenyl and a dichlorobenzene.
The molecule O1[C@@H]([C@H](O)CC2=C1C(=C(OC)C=C2)C)C3=CC=C(O)C=C3 O1[C@@H]([C@H](O)CC2=C1C(=C(OC)C=C2)C)C3=CC=C(O)C=C3 is Tupichinol A. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)S(=O)(=O)C C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)S(=O)(=O)C is N-[[(3R,9R,10R)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylmethanesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1OC(=C[C@H](O)[C@H]1O)C(O)=O CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1OC(=C[C@H](O)[C@H]1O)C(O)=O is an amino disaccharide consisting of N-acetyl-beta-D-glucosamine having a 4-deoxy-alpha-L-threo-hex-4-enopyranuronosyl residue attached at the 3-position. It has the role of human metabolite . It is a conjugate acid of beta-D-4-deoxy-Delta(4)-GlcpA-(1->3)-beta-D-GlcpNAc(1-) . It is also related to or classified as beta-D-4-deoxy-Delta(4)-GlcpA-(1->3)-D-GlcpNAc  .