anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C1CCC(CC1)(C2=CC=CC=C2)N3CCCC3 is pyrrolidine in which the hydrogen attached to the nitrogen is substituted by a 1-phenylcyclohex-1-yl group. It has a role as a hallucinogen, a NMDA receptor antagonist and a general anaesthetic. It is a tertiary amine and a member of pyrrolidines.
The molecule [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCC(=O)NCC([O-])=O [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCC(=O)NCC([O-])=O is A cholanic acid conjugate anion that is the conjugate base of glycocholic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It has the role of human metabolite .  It is also related to or classified as N-acylglycinate  . It is also related to or classified as cholanic acid conjugate anion .
The molecule [C@@H]1(N2C=3C(=C(N=CN3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(=O)C/C=C/CCCC)=O)=O)O)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)([C@H](C(NCCC(NCCSC(=O)C/C=C/CCCC)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O is A trans-3-enoyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (3E)-octenoyl-CoA; major species at pH 7.3. It is also related to or classified as trans-3-enoyl-CoA(4-)  . It is also related to or classified as monounsaturated fatty acyl-CoA(4-)  .
The molecule [H][C@@]12CC[C@@]3(C)C=CC(=O)C(C)=C3[C@@]1([H])OC(=O)[C@H]2C [H][C@@]12CC[C@@]3(C)C=CC(=O)C(C)=C3[C@@]1([H])OC(=O)[C@H]2C is A  santonin that is 3a,5,5a,9b-tetrahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione substituted by methyl groups at positions 3, 5a and 9. It has the role of plant metabolite . It is also related to or classified as santonin  . It is also related to or classified as botanical anti-fungal agent .
The molecule CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\COC[C@@H](COP(O)(O)=O)OC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\COC[C@@H](COP(O)(O)=O)OC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C is the 2,3-bis-O-(geranylgeranyl)- derivative of sn-glycerol 1-phosphate. It is a conjugate acid of 2,3-bis-O-(geranylgeranyl)-sn-glycerol 1-phosphate(2-) . It is also related to or classified as 2,3-bis-O-(geranylgeranyl)glycerol 1-phosphate  .
The molecule BrC1=C(OC2=C(Br)C(=C(Br)C(=C2)O)C)C=C(O)C(=C1C)Br BrC1=C(OC2=C(Br)C(=C(Br)C(=C2)O)C)C=C(O)C(=C1C)Br is 4,6,4',6'-Tetrabromo-3,3'-dihydroxy-5,5'-dimethyldiphenyl ether.  It is also related to or classified as organobromine compound  . It is also related to or classified as aromatic ether .
The molecule N1=C(SC=C1)CC(C)C N1=C(SC=C1)CC(C)C is A 1,3-thiazole in which the hydrogen at position 2 has been replaced by an isobutyl group. A food flavour component with a green note that adds the characteristics of ripe tomatoes. Used in blackcurrent, papaya, melon, raspberry, and roast beef flavours, it also enhances the flavour of fresh lime. It has the role of pheromone . It has the role of flavouring agent . It has the role of Maillard reaction product . It is also related to or classified as 1,3-thiazoles .
The molecule C[C@@]12CC[C@@H]3[C@@H]([C@H]1C(=C)CC[C@H]2O)OC(=O)C3=C is a sesquiterpene lactone of the eudesmanolide group, found particularly in Magnolia grandiflora and Laurus nobilis. It has a role as a metabolite. It is a sesquiterpene lactone and an organic heterotricyclic compound.
The molecule C[C@]12CC[C@@H]([C@@]([C@@H]1C[C@@H]([C@@]3([C@@H]2[C@H](C4=C(O3)C=C(OC4=O)C5=CN=CC=C5)O)C)O)(C)COC(=O)C6CC6)OC(=O)C7CC7 is an organic heterotetracyclic compound that is 1,3,4,4a,5,6,6a,12,12a,12b-decahydro-2H,11H-benzo[f]pyrano[4,3-b]chromen-11-one which is substituted by methyl groups at positions 4, 6a, and 12b; hydroxy groups at positions 3, 6, and 9; and a cyclopropycarbonyloxymethyl group and a cyclopropylcarbonyloxy group at positions 17 and 18 respectively, and a pyridin-3-yl group at position 14 (the (3S,4R,4aR,6S,6aS,12R,12aS,12bS stereoisomer). It is an insecticide that is effective against sucking insects on fruit, vegetables and nuts. It has a role as an insecticide, an agrochemical and a TRPV channel modulator. It is a cyclopropanecarboxylate ester, a member of pyridines, an organic heterotetracyclic compound and a secondary alcohol.
The molecule OC1=C(C=2C(CCNC(=O)/C=C/C3=CC(OC)=C(O)C=C3)=CNC2C=C1)C=4C=5C(CCNC(=O)/C=C/C6=CC=C(O)C=C6)=CNC5C=CC4O OC1=C(C=2C(CCNC(=O)/C=C/C3=CC(OC)=C(O)C=C3)=CNC2C=C1)C=4C=5C(CCNC(=O)/C=C/C6=CC=C(O)C=C6)=CNC5C=CC4O is (2E)-N-{2-[5,5'-dihydroxy-3'-(2-{[(2E)-1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-ylidene]amino}ethyl)-1H,1'H-[4,4'-biindole]-3-yl]ethyl}-3-(4-hydroxyphenyl)prop-2-enimidic acid. Its functional parent is serotonin . It is also related to or classified as carboxamide  . It is also related to or classified as hydroxyindoles .
The molecule CCC(CC)NC1=C(C=CC(=C1)C(=O)O)N2C(=O)CCC2(CO)CO is a member of the class of benzoic acids that is benzoic acid in which the hydrogens at positions 3 and 4 have been replaced by pentan-2-ylamino and 2,2-bis(hydroxymethyl)-5-oxopyrrolidin-1-yl groups, respectively. It is a member of pyrrolidin-2-ones, a secondary amino compound, a member of benzoic acids and a primary alcohol. It derives from a benzoic acid.
The molecule O=C(OC)CCC(=O)NCCCCCN(O)C(=O)CC(C)C O=C(OC)CCC(=O)NCCCCCN(O)C(=O)CC(C)C is Tenacibactin A. It is also related to or classified as fatty acid methyl ester  .
The molecule CC(C)[C@@H]1CC[C@@]2([C@H]1[C@@H]3[C@](CC[C@H]2O3)(C)O)C is an organic heterotricyclic compound and sesquiterpenoid that is 11-oxatricyclo[5.3.1.0(2,6)]undecan-8-ol which is substituted by methyl groups at positions 2 and 8, and by an isopropyl group at position 5. The absolute stereochemistry is not known; it is either 1R,2R,5S,6S,7R,8R (as shown), or the enantiomer. It is an organic heterotricyclic compound, a sesquiterpenoid, a tertiary alcohol and a cyclic ether.
The molecule C(CP(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1 C(CP(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1 is 1,2-bis(diphenylphosphino)ethane. It has the role of allergen . It is also related to or classified as tertiary phosphine , diphosphanes .
The molecule C(CN(CC)CC)N1C=2C(C(=NCC1=O)C3=CC=CC=C3F)=CC(=CC2)Cl C(CN(CC)CC)N1C=2C(C(=NCC1=O)C3=CC=CC=C3F)=CC(=CC2)Cl is A 1,4-benzodiazepinone that is 1,3-dihydro-2H-1,4-benzodiazepin-2-one substituted by a 2-(diethylamino)ethyl group, 2-fluorophenyl group and chloro group at positions 1, 5 and 7, respectively. It is a partial agonist of GABAA receptors and used for the treatment of insomnia. It has the role of anxiolytic drug . It has the role of anticonvulsant . It has the role of sedative . It has the role of GABAA receptor agonist .  It is also related to or classified as organochlorine compound  .  It is also related to or classified as monofluorobenzenes  . It is also related to or classified as 1,4-benzodiazepinone , tertiary amino compound .
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)C(=O)C3=CC=NC=C3 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)C(=O)C3=CC=NC=C3 is N-[[(3S,9S,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-methyl-4-pyridinecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC(=O)O is a 1,2-diacyl-sn-glycero-3-phosphocholine having palmitoyl and azelaoyl groups at positions 1 and 2 respectively. It derives from a nonanedioic acid. It is a conjugate acid of a 1-palmitoyl-2-azelaoyl-sn-glycero-3-phosphocholine(1-).
The molecule CC(COc1ccc(Oc2ccccc2)cc1)Oc1ccccn1 CC(COc1ccc(Oc2ccccc2)cc1)Oc1ccccn1 is an aromatic ether that consists of propylene glycol having a 2-pyridyl group at the O-1 position and a 4-phenoxyphenyl group at the O-3 position. It has the role of juvenile hormone mimic . Its functional parent is 4-phenoxyphenol . It is also related to or classified as pyridines , aromatic ether .
The molecule CCn1cc(C([O-])=O)c(=O)c2ccc(C)nc12 CCn1cc(C([O-])=O)c(=O)c2ccc(C)nc12 is A monocarboxylic acid anion that is the conjugate base of nalidixic acid; major species at pH 7.3. It is also related to or classified as monocarboxylic acid anion  .
The molecule C1=C(NC=[NH+]1)C[C@@H](C(=O)[O-])[NH3+] is the L-enantiomer of histidinium(1+). It has a role as an Escherichia coli metabolite and a Saccharomyces cerevisiae metabolite. It is a conjugate base of a L-histidinium(2+). It is a conjugate acid of a L-histidine. It is an enantiomer of a D-histidinium(1+).
The molecule CC/C=C\\C/C=C\\C[C@@H](/C=C/C=C\\C/C=C\\CCCCCC(=O)[O-])OO is a (7Z,10Z,12E,16Z,19Z)-14-hydroperoxydocosapentaenoate in which the chiral centre at position 14 has S-configuration. It is a conjugate base of a (7Z,10Z,12E,14S,16Z,19Z)-14-hydroperoxydocosapentaenoic acid.
The molecule CC1=CC=CC=C1O is a cresol that is phenol substituted by a methyl group at position 2. It is a minor urinary metabolite of toluene. It has a role as a human xenobiotic metabolite.
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 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 is N-[(3R,9S,10R)-9-[(dimethylamino)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 S([C@]1(NC(=O)[C@]2(SC)CC=3[C@H](N2C1=O)[C@@H](O)C=COC3)CC4=CC=CC=C4)C S([C@]1(NC(=O)[C@]2(SC)CC=3[C@H](N2C1=O)[C@@H](O)C=COC3)CC4=CC=CC=C4)C is Emestrin H. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N[C@@H](CCC(=O)N)C(=O)O is a L-glutamine derivative that is L-glutamine substituted on the alpha-nitrogen by a 2,4-dinitrophenyl group. It has a role as an epitope. It is a dicarboxylic acid monoamide, a C-nitro compound and a L-glutamine derivative. It contains a 2,4-dinitrophenyl group.
The molecule CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)C2C(=O)CCCC2=O)Cl)COCC3CCCO3 is a beta-triketone that is 2-benzoylcyclohexane-1,3-dione in which the benzoyl group is substituted at positions 2, 3, and 4 by chlorine, (tetrahydrofuran-2-ylmethoxy)methyl, and methylsulfonyl groups, respectively. It is a sulfone, a member of monochlorobenzenes, an ether, an aromatic ketone, a member of cyclohexanones, a member of oxolanes and a beta-triketone.
The molecule CCc1ccc(OS(O)(=O)=O)cc1 CCc1ccc(OS(O)(=O)=O)cc1 is an aryl sulfate that is 4-ethylphenol in which the hydroxy group has been replaced by a sulfooxy group. It has the role of uremic toxin . It has the role of human metabolite . It has the role of gut flora metabolite . Its functional parent is 4-ethylphenol . It is a conjugate acid of 4-ethylphenyl sulfate(1-) . It is also related to or classified as benzenes , aryl sulfate .
The molecule CN1[C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4.Br is a hydrobromide that is obtained by reaction of scopolamine with hydrogen bromide. It has a role as a muscarinic antagonist. It contains a scopolamine(1+).
The molecule [H]C([H])(C=O)C([H])([H])[C@]([H])(N(C)C)[C@@]([H])(C)O [H]C([H])(C=O)C([H])([H])[C@]([H])(N(C)C)[C@@]([H])(C)O is forosamine. It is also related to or classified as hexosamine  . It is also related to or classified as tetradeoxyhexose derivative .
The molecule N#[O+] N#[O+] is A monovalent inorganic cation resulting from the removal of the unpaired electron from nitric oxide. It is also related to or classified as nitrogen oxide , monovalent inorganic cation .
The molecule CCCCCCCCCCCCCCCCOC[C@H](COC(=O)CCCCCCCCCCC)OC(=O)C is a 1-alkyl-2-acetyl-3-acyl-sn-glycerol in which the alkyl and acyl groups are specified as palmityl and lauroyl. It is a 1-alkyl-2-acetyl-3-acyl-sn-glycerol and a dodecanoate ester. It derives from a 1-O-palmityl-2-acetyl-sn-glycerol and a hexadecanoic acid.
The molecule ClC1=C(O)C(C(=O)O[C@@H]2C(=O)C(=C[C@H]([C@H]2O)O)CO)=CC=C1 ClC1=C(O)C(C(=O)O[C@@H]2C(=O)C(=C[C@H]([C@H]2O)O)CO)=CC=C1 is Phomone A. Its functional parent is salicylic acid . It is also related to or classified as phenols  . It is also related to or classified as benzoate ester .
The molecule O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC2=CC(O[C@@H]3OC([C@@H](O)[C@H](O)C3O)CO)=CC(O)=C2C(=O)/C=C/C4=CC=C(O)C=C4)CO O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC2=CC(O[C@@H]3OC([C@@H](O)[C@H](O)C3O)CO)=CC(O)=C2C(=O)/C=C/C4=CC=C(O)C=C4)CO is Chalconaringenin 2',4'-di-O-glucoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule CCC1(C)OC(=O)NC1=O CCC1(C)OC(=O)NC1=O is an oxazolidinone that is 1,3-oxazolidine-2,4-dione substituted by a methyl and ethyl group at position 5. It is a metabolite of paramethadione. It has the role of drug metabolite . It has the role of human xenobiotic metabolite . It has the role of human blood serum metabolite . It is also related to or classified as oxazolidinone .
The molecule CNCCCC(=O)C1=C(NC(=O)C=C1)O is a dihydroxypyridine that is pseudooxynicotine in which the hydrogens at positions 2 and 6 on the pyridine ring are substituted by hydroxy groups. It is a dihydroxypyridine, a secondary amino compound and an aromatic ketone. It derives from a pseudooxynicotine. It is a conjugate base of a 2,6-dihydroxypseudooxynicotinium(1+).
The molecule COc1cc(\C=C\C(=O)NCCCCNC(N)=N)ccc1O COc1cc(\C=C\C(=O)NCCCCNC(N)=N)ccc1O is A member of the class of cinnamamides obtained by formal condensation of the carboxy group of ferulic acid with the amino group of agmatine. It has the role of antifungal agent . It has the role of EC 5.99.1.2 (DNA topoisomerase) inhibitor . It has the role of plant metabolite . Its functional parent is agmatine . Its functional parent is trans-ferulic acid . It is also related to or classified as alkaloid  . It is also related to or classified as 4-hydroxy-3-methoxycinnamoylagmatine  .
The molecule C1CC(NC(=O)C1)C(=O)O is a delta-lactam that is piperidine-2-carboxylic acid substituted at position 6 by an oxo group. It has a role as a bacterial metabolite. It is a delta-lactam and a monocarboxylic acid. It is a conjugate acid of a 6-ketopiperidine-2-carboxylate.
The molecule C=1C=C(C=CC1OS([O-])(=O)=O)CC C=1C=C(C=CC1OS([O-])(=O)=O)CC is A phenyl sulfate oxoanion that is the conjugate base of 4-ethylphenyl sulfate, obtained by deprotonation of the sulfate group; major species at pH 7.3. It has the role of uremic toxin . It has the role of human metabolite . It has the role of gut flora metabolite . It is also related to or classified as phenyl sulfate oxoanion  .
The molecule CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)OS(=O)(=O)O)O is an amino disaccharide composed of 3-sulfated beta-D-galactose and N-acetyl-beta-D-glucosaminyl residues in beta-(1->3) linkage. It has a role as an epitope. It is an amino disaccharide and an oligosaccharide sulfate.
The molecule CN1C2=C(C=C1C(=O)N(C)C3CCCCC3)SC=C2 CN1C2=C(C=C1C(=O)N(C)C3CCCCC3)SC=C2 is N-cyclohexyl-N,4-dimethyl-5-thieno[3,2-b]pyrrolecarboxamide. It is also related to or classified as organic heterobicyclic compound , organonitrogen heterocyclic compound , organosulfur heterocyclic compound .
The molecule [H][C@@]12O[C@]1(CO)[C@@H](O)[C@]1(O)C(=O)C(C)=C[C@@]1([H])[C@]13O[C@]4(O[C@H]([C@]21[H])[C@](C[C@H]3C)(O4)C(C)=C)\C=C\C=C\CCCCCCCCC [H][C@@]12O[C@]1(CO)[C@@H](O)[C@]1(O)C(=O)C(C)=C[C@@]1([H])[C@]13O[C@]4(O[C@H]([C@]21[H])[C@](C[C@H]3C)(O4)C(C)=C)\C=C\C=C\CCCCCCCCC is huratoxin. It has the role of metabolite . It is also related to or classified as organic molecular entity .
The molecule CC(C)CC(=O)OO CC(C)CC(=O)OO is the peracid of isovaleric acid where the acidic -OH group has been replaced by an -OOH group. Its functional parent is isovaleric acid . It is also related to or classified as peroxy acid .
The molecule CCC(C(=O)[O-])(C(=O)[O-])C(=O)[O-] CCC(C(=O)[O-])(C(=O)[O-])C(=O)[O-] is A tricarboxylic acid trianion obtained by deprotonation of the carboxy groups of 1,1,1-propanetricarboxylic acid. It is also related to or classified as tricarboxylic acid trianion .
The molecule C\C=C\C(=O)C[N+](C)(C)C C\C=C\C(=O)C[N+](C)(C)C is Crotono-betaine. It is also related to or classified as ketone  . It is also related to or classified as organic amino compound .
The molecule CCCCCCCCCCCCCCC(C(=O)O)Br is a bromo fatty acid that is hexadecanoic (palmitic) acid carrying a single bromo substituent at position 2. It has a role as a fatty acid oxidation inhibitor. It is a bromo fatty acid, a straight-chain fatty acid, a long-chain fatty acid and a 2-bromocarboxylic acid. It derives from a hexadecanoic acid.
The molecule CN(C)CCN(C)C CN(C)CCN(C)C is an ethylenediamine derivative in which each nitrogen carries two methyl substituents. It is widely employed both as a ligand for metal ions and as a catalyst in organic polymerisation. It has the role of catalyst . It has the role of chelator . It is also related to or classified as ethylenediamine derivative .
The molecule O=C1C2=C(O)C3=C(C(C(=O)OC)C(O)(CC)CC3=O)C(=C2C(=O)C=4C1=C(O)C=CC4)O O=C1C2=C(O)C3=C(C(C(=O)OC)C(O)(CC)CC3=O)C(=C2C(=O)C=4C1=C(O)C=CC4)O is Maggiemycin. It is also related to or classified as quinone  . It is also related to or classified as tetracenes .
The molecule O=C1[C@H]2[C@@](OCC1)([C@@H](O)[C@H](O)[C@@H]3[C@@H]2CC[C@@H]([C@H]3O)C)C O=C1[C@H]2[C@@](OCC1)([C@@H](O)[C@H](O)[C@@H]3[C@@H]2CC[C@@H]([C@H]3O)C)C is Zosteropenilline E. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule C1[C@@H]([C@@H](C[C@@]2([C@]1([C@@H]3[C@@H](CC2)[C@]4(CC[C@@H]([C@]4(CC3)C)C5=COC(C=C5)=O)O)C=O)O)OC(=O)C)OC(=O)C C1[C@@H]([C@@H](C[C@@]2([C@]1([C@@H]3[C@@H](CC2)[C@]4(CC[C@@H]([C@]4(CC3)C)C5=COC(C=C5)=O)O)C=O)O)OC(=O)C)OC(=O)C is (2beta,3beta,5beta)-2,3-diacetoxy-5,14-dihydroxy-19-oxobufa-20,22-dienolide. Its functional parent is bufanolide . It is also related to or classified as steroid lactone .
The molecule F[Al-3](F)(F)(F)(F)F F[Al-3](F)(F)(F)(F)F is hexafluoroaluminate(3-). It is also related to or classified as aluminium coordination entity , perfluorometallate anion .
The molecule CC(C)COC1=CC(=CC=C1)OCC(=O)NC2=CC=C(C=C2)OC is a monocarboxylic acid amide obtained by formal condensation of the carboxy group of 3-isobutoxyphenoxyacetic acid with the amino group of 4-methoxyaniline. It has a role as an antifungal agent and a glycerophosphoinositol synthesis inhibitor. It is a monocarboxylic acid amide, an aromatic ether and an aromatic amide. It derives from a phenylacetic acid.
The molecule C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OCCCCCCSSCCCCCCO[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)C)N)O)NC(=O)C)NC(=O)C)O)N is an oligosaccharide derivative consisting of two 2-acetamido-4-amino-2,4-dideoxy-alpha-D-fucosyloxy ((2-acetamido-4-amino-2,4,6-trideoxy-alpha-D-galactosyl) monosaccharide units linked via a dithiodihexyl divalent group. One of a panel of synthetic oligosaccharide derivatives designed to reveal a critical role of the rare aminosugar 2-acetamido-4-amino-2,4-dideoxy-D-fucose (2-acetamido-4-amino-2,4,6-trideoxy-D-galactose; D-AAT) for serotype 1 immune recognition (PMID:29632881). It is an oligosaccharide derivative and an organic disulfide.
The molecule [NH3+]C(=C)C([O-])=O [NH3+]C(=C)C([O-])=O is an amino acid zwitterion resulting from a transfer of a proton from the carboxy group to the amino group of 2-aminoacrylic acid. It is also related to or classified as amino-acid zwitterion .
The molecule CC(C)CCCCCCCCCCCC(O)=O CC(C)CCCCCCCCCCCC(O)=O is A branched-chain saturated fatty acid comprising tetradecanoic (myristic) acid substituted at position 13 by a methyl group. It is a conjugate acid of isopentadecanoate . It is also related to or classified as long-chain fatty acid  . It is also related to or classified as branched-chain saturated fatty acid , methyl-branched fatty acid .
The molecule [C@H]1(C(N(C1)[C@H](C=2C=CC(=CC2)O)C(=O)[O-])=O)NC([C@@H](C3=CC=C(C=C3)O)[NH3+])=O [C@H]1(C(N(C1)[C@H](C=2C=CC(=CC2)O)C(=O)[O-])=O)NC([C@@H](C3=CC=C(C=C3)O)[NH3+])=O is an amino acid zwitterion resulting from a transfer of a proton from the carboxy group to the amino group of nocardicin G; major species at pH 7.3. It is also related to or classified as amino-acid zwitterion .
The molecule ClC1=C(O)C(NC(=O)/C(=C/C(=C/[C@@H](CCCC)C)/C)/C)=CC(=C1/C=C/C=C/C=C/C(=O)N=C2C(=O)CCC2=O)O ClC1=C(O)C(NC(=O)/C(=C/C(=C/[C@@H](CCCC)C)/C)/C)=CC(=C1/C=C/C=C/C=C/C(=O)N=C2C(=O)CCC2=O)O is Chinikomycin B. It is also related to or classified as organohalogen compound  . It is also related to or classified as benzenediols .
The molecule CCOC(=O)C1=NOC(C1)(C2=CC=CC=C2)C3=CC=CC=C3 is an isoxazoline that is the ethyl ester of isoxadifen. It is used as a herbicide safener, especially in conjunction with the herbicides fenoxaprop-P-ethyl and iodosulfuron-methyl-sodium. It is not approved for use within the European Union. It has a role as a herbicide safener and an agrochemical. It is an ethyl ester and an isoxazoline. It derives from an isoxadifen.
The molecule CCC/C=C/C(=O)OCC is a fatty acid ethyl ester of 2-hexenoic acid. It has a role as a metabolite. It derives from a 2-hexenoic acid.
The molecule [O-][Se]([O-])(=O)=O [O-][Se]([O-])(=O)=O is A divalent inorganic anion obtained by removal of both protons from selenic acid. It has the role of human metabolite . It is also related to or classified as selenium oxoanion , divalent inorganic anion .
The molecule CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2=C(C3CCC(C3)C2=O)SC4=CC=CC=C4)Cl is a carbobicyclic compound that is bicyclo[3.2.1]oct-3-en-2-one which is substituted at positions 3 and 4 by 2-chloro-4-(methylsulfonyl)benzoyl and phenylthio groups, respectively. It is a carbobicyclic compound, a cyclic ketone, an organic sulfide, a sulfone, a member of monochlorobenzenes and an aromatic ketone.
The molecule C(CO)(CO)=O C(CO)(CO)=O is A ketotriose consisting of acetone bearing hydroxy substituents at positions 1 and 3. The simplest member of the class of ketoses and the parent of the class of glycerones. It has the role of metabolite . It has the role of antifungal agent . It has the role of mouse metabolite . It has the role of Saccharomyces cerevisiae metabolite . It has the role of Escherichia coli metabolite . It has the role of human metabolite . It is also related to or classified as primary alpha-hydroxy ketone  . It is also related to or classified as ketotriose  .
The molecule N[C@@H]1CCOC1=O N[C@@H]1CCOC1=O is the D-enantiomer of homoserine lactone. It is also related to or classified as homoserine lactone  .
The molecule N1=C(SC=C1C)C(C)C N1=C(SC=C1C)C(C)C is A 1,3-thiazole that is substituted at positions 2 and 4 by isopropyl and methyl groups, respectively. A fruit flavour intensifier, it has a peach flavour with distinct vegetable and tropical notes. Also used in apricot, nectarine, durian, mango, pear and blackcurrant flavours. Present in Indonesian durian fruit (Durio zibethinus), red tomatoes, yeast extract, coriander seed oil, and roast meats. It has the role of flavouring agent . It has the role of Maillard reaction product . It is also related to or classified as 1,3-thiazoles .
The molecule OC(=O)[C@](N)(C(C([2H])([2H])[2H])(C([2H])([2H])[2H])[2H])[2H] OC(=O)[C@](N)(C(C([2H])([2H])[2H])(C([2H])([2H])[2H])[2H])[2H] is D-valine-d8. Its functional parent is D-valine . It is also related to or classified as deuterated compound .