anonymous041/ChEBI-Augmented huggingface dataset:
The molecule COCc1c(nc(C(C)C)c(\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)c1-c1ccc(F)cc1)C(C)C COCc1c(nc(C(C)C)c(\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)c1-c1ccc(F)cc1)C(C)C is (3R,5S)-3,5-dihydroxyhept-6-enoic acid in which the (7E)-hydrogen is substituted by a 4-(4-fluorophenyl)-2,6-diisopropyl-5-(methoxymethyl)pyridin-3-yl group. Formerly used (as its sodium salt) to lower cholesterol and prevent cardiovascular disease, it was withdrawn from the market worldwide in 2001 following reports of a severe form of muscle toxicity. It is a conjugate acid of cerivastatin(1-) . It is also related to or classified as pyridines , dihydroxy monocarboxylic acid , statin (synthetic) .
The molecule [K+].[K+].Cl[Os--](Cl)(Cl)(Cl)(Cl)#N [K+].[K+].Cl[Os--](Cl)(Cl)(Cl)(Cl)#N is potassium pentachloro(nitrido)osmate(2-). It is also related to or classified as potassium salt , chlorometallate salt .
The molecule C1=CC(=CC=C1C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=C(C=C5)S(=O)(=O)O)S(=O)(=O)O is a member of the class of phenanthrolines that is 4,7-diphenyl-1,10-phenanthroline carrying two additional sulfo substituents at positions 4' and 4'' It has a role as an iron chelator. It is a member of phenanthrolines and an arenesulfonic acid. It derives from a hydride of a 4,7-diphenyl-1,10-phenanthroline.
The molecule C=1(C=COC1)[C@H](O)C#N C=1(C=COC1)[C@H](O)C#N is optically active cyanohydrin that can be produced using the (S)-hydroxynitrile lyase from Manihot esculenta (https://doi.org/doi:10.1002/anie.199604371). It is also related to or classified as cyanohydrin  .
The molecule CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CSC3=CC=NC=C3)SC1)C(=O)[O-] is the anion of cephapirin obtained by removal of a proton form the carboxylic acid group. It is a conjugate base of a cephapirin.
The molecule C[C@@H]1CC[C@H]([C@H](O)C1)C(C)=C C[C@@H]1CC[C@H]([C@H](O)C1)C(C)=C is isopulegol. It has the role of metabolite . It is also related to or classified as p-menthane monoterpenoid .
The molecule [Cl-].CCN(CC)c1ccc2c(-c3ccc(cc3C(O)=O)N=C=S)c3ccc(cc3oc2c1)=[N+](CC)CC [Cl-].CCN(CC)c1ccc2c(-c3ccc(cc3C(O)=O)N=C=S)c3ccc(cc3oc2c1)=[N+](CC)CC is the 5-isomer of rhodamine B isothiocyanate. It has the role of fluorochrome . It is also related to or classified as rhodamine B isothiocyanate .
The molecule [NH2-] is a nitrogen hydride and a monovalent inorganic anion. It is a conjugate base of an ammonia. It is a conjugate acid of a hydridonitrate(2-).
The molecule C1=C2OCOC2=CC(=C1)[C@H](O)C#N C1=C2OCOC2=CC(=C1)[C@H](O)C#N is optically active cyanohydrin that can be produced using the (S)-hydroxynitrile lyase from Manihot esculenta (https://doi.org/doi:10.1002/anie.199604371). It is also related to or classified as cyanohydrin  .
The molecule CC/C=C/CC/C=C/C=C/CCCCCCCC(=O)O is any octadecatrienoic acid with three double bonds at positions 9, 11 and 15. It is a conjugate acid of a 9,11,15-octadecatrienoate.
The molecule CC(CCOC(C)=O)CCC=C(C)C CC(CCOC(C)=O)CCC=C(C)C is A monoterpenoid that is the acetate ester of citronellol. It has been isolated from Citrus hystrix. It has the role of plant metabolite . Its functional parent is citronellol .  It is also related to or classified as acetate ester  . It is also related to or classified as monoterpenoid .
The molecule COCC(=O)N([C@H](C)C(=O)OC)c1c(C)cccc1C COCC(=O)N([C@H](C)C(=O)OC)c1c(C)cccc1C is A methyl N-(2,6-dimethylphenyl)-N-(methoxyacetyl)alaninate that is the more active R-enantiomer of metalaxyl. A systemic fungicide, it is active against phytopathogens of the order Peronosporales and is used to conrtrol Pythium in a number of vegetable crops. It has the role of agrochemical . Its functional parent is D-alanine . It is also related to or classified as methyl N-(2,6-dimethylphenyl)-N-(methoxyacetyl)alaninate  . It is also related to or classified as D-alanine derivative , acylamino acid fungicide , anilide fungicide .
The molecule CC1CCC2C(C1)C2(C)C CC1CCC2C(C1)C2(C)C is A carbobicyclic compound that is bicyclo[4.1.0]heptane substituted by methyl groups at positions 3, 7 and 7. It is also related to or classified as monoterpene  . It is also related to or classified as terpenoid fundamental parent , carbobicyclic compound .
The molecule O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1OP(=O)([O-])[O-])C=CCCCC=CCC=CCCCCC O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1OP(=O)([O-])[O-])C=CCCCC=CCC=CCCCCC is (2E,7Z,10Z)-hexadecatrienoyl-CoA(4-). It is also related to or classified as 2,3-trans-enoyl CoA(4-)  . It is also related to or classified as polyunsaturated fatty acyl-CoA(4-)  .
The molecule C1[C@@H](CN=C1C(=O)O)O is a 4-hydroxy-1-pyrroline-2-carboxylic acid in which the 4-hydroxy group has S-configuration. It is a conjugate acid of a (S)-4-hydroxy-1-pyrroline-2-carboxylate.
The molecule C1([C@@H](C#N)O)CCCCC1 C1([C@@H](C#N)O)CCCCC1 is optically active cyanohydrin that can be produced using the (S)-hydroxynitrile lyase from Manihot esculenta (https://doi.org/doi:10.1002/anie.199604371). It is also related to or classified as cyanohydrin  .
The molecule COC1=CC(=CC(=C1O)OC)C2=C(C=C3C(=CC(=CC3=[O+]2)O)OC)O is an anthocyanidin cation consisting of benzopyrylium with hydroxy substituents at positions 3 and 7, a methoxy group at position 5 and a 4-hydroxy-3,5-dimethoxyphenyl group at position 2 respectively. It has a role as a plant metabolite.
The molecule [H][C@]12C[C@H](CC[C@]1(C)CCC[C@]2(C)O)C(C)(C)O [H][C@]12C[C@H](CC[C@]1(C)CCC[C@]2(C)O)C(C)(C)O is (+)-4-epi-cryptomeridiol. It has the role of metabolite . It is also related to or classified as eudesmane sesquiterpenoid .
The molecule C[N+](C)(C)CCOP(O)(=O)Oc1ccc(cc1)[N+]#N C[N+](C)(C)CCOP(O)(=O)Oc1ccc(cc1)[N+]#N is A phosphocholine carrying an O-(4-diazoniophenyl) substituent. It is also related to or classified as phosphocholines , aromatic diazonium ion .
The molecule [H][C@@](\N=C1CC(O)(CO)CC(NCC(O)=O)=C\1OC)([C@H](C)O)C(O)=O [H][C@@](\N=C1CC(O)(CO)CC(NCC(O)=O)=C\1OC)([C@H](C)O)C(O)=O is porphyra-334. It is also related to or classified as ketimine  . It is also related to or classified as mycosporine-like amino acid .
The molecule S(OC=1C=C2OC(C3=CC(O)=C(OC)C=C3)=CC(=O)C2=C(O)C1)(O)(=O)=O S(OC=1C=C2OC(C3=CC(O)=C(OC)C=C3)=CC(=O)C2=C(O)C1)(O)(=O)=O is Luteolin 4'-methyl ether 7-sulfate. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule [H]C(=O)C1CCCCC1 [H]C(=O)C1CCCCC1 is an aliphatic aldehyde that is cyclohexane substituted by a formyl group at position 1. It has the role of plant metabolite . It is also related to or classified as carbocyclic compound , aliphatic aldehyde .
The molecule CC(=O)C(C(=O)COP(=O)([O-])[O-])O is an organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of 3-hydroxy-2,4-pentanedione 5-phosphate; major species at pH 7.3. It has a role as a bacterial metabolite. It is a conjugate base of a 3-hydroxy-2,4-dioxopentyl phosphate.
The molecule CC(C)=CCC\C(C)=C\COc1c2ccoc2cc2oc(=O)ccc12 CC(C)=CCC\C(C)=C\COc1c2ccoc2cc2oc(=O)ccc12 is bergomottin. It has the role of metabolite . It is also related to or classified as furanocoumarin .
The molecule Oc1c(Br)cc2c(Oc3c(Br)c(O)c(Br)cc3C22OC(=O)c3cc(ccc23)N=C=S)c1Br Oc1c(Br)cc2c(Oc3c(Br)c(O)c(Br)cc3C22OC(=O)c3cc(ccc23)N=C=S)c1Br is the 2',4',5',7'-tetrabromo-5-isothiocyanato derivative of fluorescein; exhibits phosphorescence with an emission maximum at ~680 nm. Its functional parent is fluorescein (lactone form) . It is also related to or classified as organobromine compound  . It is also related to or classified as isothiocyanate  .
The molecule c1cocn1 c1cocn1 is A five-membered monocyclic heteroarene that is an analogue of cyclopentadiene with O in place of CH2 at position 1 and N in place of CH at position 3. It is also related to or classified as mancude organic heteromonocyclic parent , 1,3-oxazoles , monocyclic heteroarene .
The molecule C1CC2C1C3C2C4C3CCC(C4)CCCCCCCCOC(CO)CO C1CC2C1C3C2C4C3CCC(C4)CCCCCCCCOC(CO)CO is A 2-alkylglycerol in which glycerol is linked to 8-[3]-ladderane-octanyl via an ether-bond at position 2. Glycerols, substituted by ladderanes are core lipids of anammox bacteria. It is also related to or classified as 2-alkylglycerol  . It is also related to or classified as ladderane .
The molecule OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ncc(=O)[nH]c1=O OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ncc(=O)[nH]c1=O is 6-azauridine. It has the role of antimetabolite . It has the role of antineoplastic agent . It has the role of drug metabolite . It is also related to or classified as N-glycosyl-1,2,4-triazine .
The molecule C(=C/[C@@H](C#N)O)\CCC C(=C/[C@@H](C#N)O)\CCC is optically active cyanohydrin that can be produced using the (S)-hydroxynitrile lyase from Manihot esculenta (https://doi.org/doi:10.1002/anie.199604371). It is also related to or classified as cyanohydrin  .
The molecule CC(=CCC1=CC2=C(C=C1O)OC3=C2COC4=C3C(=C(C(=C4)O)CC=C(C)C)OC)C is a member of the class of coumestans that is 3,4-didehydroterocarpan substituted by hydroxy groups at positions 7 and 4', a methoxy group at position 5 and prenyl groups at positions 6 and 5'. Isolated from the roots of Glycyrrhiza uralensis, it exhibits antibacterial activity. It has a role as an antibacterial agent and a plant metabolite. It is a polyphenol, a member of coumestans and an aromatic ether.
The molecule C\C(CC[C@@H](O)C(C)(C)O)=C/COc1c2ccoc2cc2oc(=O)ccc12 C\C(CC[C@@H](O)C(C)(C)O)=C/COc1c2ccoc2cc2oc(=O)ccc12 is (R)-(+)-6',7'-dihydroxybergamottin. It has the role of metabolite . It is also related to or classified as furanocoumarin .
The molecule [H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]2CO)O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)C(O)O[C@@H]3CO)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O)C(O)=O)[C@H](O)[C@H](O)CO [H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]2CO)O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)C(O)O[C@@H]3CO)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O)C(O)=O)[C@H](O)[C@H](O)CO is A linear amino pentasaccharide comprising lacto-N-neotetraose having an alpha-N-acetylneuraminyl residue attached at the 6-position of the galactosyl residue at the non-reducing end. It is also related to or classified as glucosamine oligosaccharide , amino pentasaccharide .
The molecule CNC1=NC(=NC=C1Cl)NC2=C(C=C(C=C2)C(=O)N3CCOCC3)OC is a monocarboxylic acid amide resulting from the formal condensation of the carboxy group of 4-{[5-chloro-4-(methylamino)pyrimidin-2-yl]amino}-3-methoxybenzoic acid with the amino group of morpholine. It is an inhibitor of leucine-rich repeat kinase 2 (LRRK2). It has a role as an EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor. It is an aminopyrimidine, a member of morpholines, a monocarboxylic acid amide, an organochlorine compound, a secondary amino compound and an aromatic ether.
The molecule C(=C/[C@@H](C#N)O)\C C(=C/[C@@H](C#N)O)\C is optically active cyanohydrin that can be produced using the (S)-hydroxynitrile lyase from Manihot esculenta (https://doi.org/doi:10.1002/anie.199604371). It is also related to or classified as cyanohydrin  .
The molecule CC(=O)CC(=O)CC1=CC2=CC(=CC(=C2C(=O)O1)O)O is a member of the class of isocoumarins that is 1H-isochromen-1-one substituted by a 2,4-dioxopentyl group at position 3 and by hydroxy groups at positions 6 and 8. It has a role as an Aspergillus metabolite. It is a heptaketide, a member of isocoumarins, a member of phenols, a beta-diketone and a methyl ketone.
The molecule COC(C)(C)[C@H](O)CC\C(C)=C\COc1c2ccoc2cc2oc(=O)ccc12 COC(C)(C)[C@H](O)CC\C(C)=C\COc1c2ccoc2cc2oc(=O)ccc12 is (R)-(+)-6'-hydroxy-7'-methoxybergamottin. It has the role of metabolite . It is also related to or classified as furanocoumarin .
The molecule Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(O)c2o1 Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(O)c2o1 is A tetrahydroxyflavone that is apigenin with an extra hydroxy group at position 8. It has the role of metabolite . Its functional parent is apigenin . It is also related to or classified as tetrahydroxyflavone  .
The molecule CC1C(OC(=O)C2C1(OC3(C2C4=COC(=CC4=C(C3=O)Cl)/C=C/C(C)C(C)O)C)O)C is an organic heterotetracyclic compound with formula C23H27ClO7 isolated from Chaetomium globosum. It is a diastereoisomer of chaetomugilin A (which has a significantly different optical rotation). It has a role as a Chaetomium metabolite. It is an enone, a lactol, a delta-lactone, an organochlorine compound and an organic heterotetracyclic compound.
The molecule CC(C1=CC=C(C=C1)CC(C)(C)O)C(=O)[O-] is a hydroxy monocarboxylic acid anion that is the conjugate base of 2-hydroxyibuprofen, obtained by deprotonation of the carboxy group; major species at pH 7.3.
The molecule CC1(C)O[C@@H]1COc1c2ccoc2cc2oc(=O)ccc12 CC1(C)O[C@@H]1COc1c2ccoc2cc2oc(=O)ccc12 is (+)-oxypeucedanin. It has the role of metabolite . It is also related to or classified as furanocoumarin .
The molecule C=C[C@@H](C#N)O C=C[C@@H](C#N)O is optically active cyanohydrin that can be produced using the (S)-hydroxynitrile lyase from Manihot esculenta (https://doi.org/doi:10.1002/anie.199604371). It is also related to or classified as cyanohydrin  .
The molecule CC1=C(C=CC=C1Cl)NC2=C(C=CC=N2)C(=O)O is a pyridinemonocarboxylic acid that is nicotinic acid substituted at position 2 by a (2-methyl-3-chlorophenyl)amino group. Used (as its lysine salt) for treatment of renal colic, muscular pain and moderately severe migraine attacks. It has a role as a non-steroidal anti-inflammatory drug, a non-narcotic analgesic, an antipyretic, a platelet aggregation inhibitor, a vasodilator agent, an EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor and a lipoxygenase inhibitor. It is a pyridinemonocarboxylic acid, an aminopyridine and an organochlorine compound. It derives from a nicotinic acid. It is a conjugate acid of a clonixin(1-).
The molecule [Ca++].[O-]C(=O)C([O-])=O [Ca++].[O-]C(=O)C([O-])=O is the calcium salt of oxalic acid, which in excess in the urine may lead to formation of oxalate calculi (kidney stones). It is also related to or classified as organic calcium salt .
The molecule [H][C@@]12CC[C@@]3([H])C(C)(C)CCC[C@]3(C)[C@@]1([H])CC[C@@H](C2)C(C)C [H][C@@]12CC[C@@]3([H])C(C)(C)CCC[C@]3(C)[C@@]1([H])CC[C@@H](C2)C(C)C is abietane. It is also related to or classified as diterpene  . It is also related to or classified as terpenoid fundamental parent .
The molecule O=C1C2=C(O)C=CC=C2C(=O)[C@]3([C@]1(O)[C@H](O[C@@H](C3)CC(=O)O)CCC)O O=C1C2=C(O)C=CC=C2C(=O)[C@]3([C@]1(O)[C@H](O[C@@H](C3)CC(=O)O)CCC)O is Frenolicin D. It is also related to or classified as glycoside  . It is also related to or classified as benzochromenone .
The molecule CNCCc1ccccn1 CNCCc1ccccn1 is an aminoalkylpyridine that is pyridine substituted by a 2-(methylamino)ethyl group at position 2. It acts as a histamine agonist and a vasodilator, and is thought to improve the microcirculation of the labyrinth, resulting in reduced endolymphatic pressure. It is used (generally as the hydrochloride or mesylate salt) to reduce the symptoms of vertigo, tinnitus, and hearing loss associated with Meniere's disease. It has the role of vasodilator agent . It has the role of H1-receptor agonist . It is also related to or classified as aminoalkylpyridine , secondary amino compound .
The molecule CC([C@@H](C#N)O)(C)C CC([C@@H](C#N)O)(C)C is optically active cyanohydrin that can be produced using the (S)-hydroxynitrile lyase from Manihot esculenta (https://doi.org/doi:10.1002/anie.199604371). It is also related to or classified as cyanohydrin  .
The molecule C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\\2[C@@]1(CCC/C2=C\\C=C/3\\C[C@H]([C@H]([C@@H](C3=C)O)OCCCCO)O)C is a hydroxycalciol that is calcitriol with a 4-hydroxybutoxy group at position 2. It has a role as a metabolite. It is a member of D3 vitamins, a hydroxycalciol and a tetrol. It derives from a calcitriol.
The molecule CC(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](OC(=O)CC(C)(O)CC(=O)O[C@H](COc2c3ccoc3cc3oc(=O)ccc23)C(C)(C)O)[C@H]1O CC(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](OC(=O)CC(C)(O)CC(=O)O[C@H](COc2c3ccoc3cc3oc(=O)ccc23)C(C)(C)O)[C@H]1O is citrusoside D. It has the role of metabolite . It is also related to or classified as lipopolysaccharide  .
The molecule [H][C@@]1(O[C@@](C[C@@H](OP(O)(O)=O)[C@H]1O)(OCC=C)C(O)=O)[C@H](O)CO [H][C@@]1(O[C@@](C[C@@H](OP(O)(O)=O)[C@H]1O)(OCC=C)C(O)=O)[C@H](O)CO is the 1-O-allyl-4-phospho derivative of 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid. Its functional parent is 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid . It is also related to or classified as monocarboxylic acid , aldooctose phosphate , carbohydrate acid derivative .
The molecule c1cnoc1 c1cnoc1 is A monocyclic heteroarene with a structure consisting of a 5-membered ring containing three carbon atoms and an oxygen and nitrogen atom adjacent to each other. It is the parent of the class of  isoxazoles.  It is also related to or classified as isoxazoles  . It is also related to or classified as mancude organic heteromonocyclic parent , monocyclic heteroarene .
The molecule CCCCCCCCCCCCCCCC[N+](C)(C)C CCCCCCCCCCCCCCCC[N+](C)(C)C is A quaternary ammonium ion in which the substituents on nitrogen are one hexadecyl and three methyl groups. It is also related to or classified as quaternary ammonium ion  .
The molecule C([C@@H](C(=O)NCC(=O)O)N)S is a dipeptide consisting of glycine having an L-cysteinyl attached to its alpha-amino group. It is an intermediate metabolite in glutathione metabolism. It has a role as a human metabolite, a Saccharomyces cerevisiae metabolite and an Escherichia coli metabolite. It is a tautomer of a L-cysteinylglycine zwitterion.
The molecule CC([C@@H](C#N)O)C CC([C@@H](C#N)O)C is optically active cyanohydrin that can be produced using the (S)-hydroxynitrile lyase from Manihot esculenta (https://doi.org/doi:10.1002/anie.199604371). It is also related to or classified as cyanohydrin  .
The molecule C1CN(CCN1)C2=CC=CC(=C2)C(F)(F)F is a N-arylpiperazine that is piperazine substituted by a 3-(trifluoromethyl)phenyl group at position 1. A serotonergic agonist used as a recreational drug. It has a role as a xenobiotic, an environmental contaminant, a psychotropic drug and a serotonergic agonist. It is a member of (trifluoromethyl)benzenes and a N-arylpiperazine.
The molecule CC(C)O[C@@H]1O[C@H](COC(=O)CC(C)(O)CC(=O)O[C@H](COc2c3ccoc3cc3oc(=O)ccc23)C(C)(C)O)[C@@H](O)[C@H](O)[C@H]1O CC(C)O[C@@H]1O[C@H](COC(=O)CC(C)(O)CC(=O)O[C@H](COc2c3ccoc3cc3oc(=O)ccc23)C(C)(C)O)[C@@H](O)[C@H](O)[C@H]1O is citrusoside C. It has the role of metabolite . It is also related to or classified as lipopolysaccharide  .
The molecule [H][C@@]1(O[C@@](C[C@@H](O)[C@H]1OP(O)(O)=O)(OCC=C)C(O)=O)[C@H](O)CO [H][C@@]1(O[C@@](C[C@@H](O)[C@H]1OP(O)(O)=O)(OCC=C)C(O)=O)[C@H](O)CO is the 1-O-allyl-5-phospho derivative of 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid. Its functional parent is 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid . It is also related to or classified as monocarboxylic acid , aldooctose phosphate , carbohydrate acid derivative .
The molecule CC1O[C@@]2(CS1)CN1CCC2CC1 CC1O[C@@]2(CS1)CN1CCC2CC1 is cevimeline. It has the role of muscarinic agonist . It is also related to or classified as quinuclidines , oxathiolane .
The molecule C[C@H](CCC(=O)O)O is an (omega-1)-hydroxy fatty acid that is valeric acid in which the 4-pro-R hydrogen is replaced by a hydroxy group. It is an (omega-1)-hydroxy fatty acid, a short-chain fatty acid and a 4-hydroxy monocarboxylic acid. It derives from a valeric acid.
The molecule C(C[C@@H](C#N)O)CC C(C[C@@H](C#N)O)CC is optically active cyanohydrin that can be produced using the (S)-hydroxynitrile lyase from Manihot esculenta (https://doi.org/doi:10.1002/anie.199604371). It is also related to or classified as cyanohydrin  .
The molecule C([C@@H](C(=O)[O-])O)C(=O)[O-] is an optically active form of malate having (S)-configuration. It has a role as a human metabolite and a Saccharomyces cerevisiae metabolite. It is a conjugate base of a (S)-malic acid. It is an enantiomer of a (R)-malate(2-).
The molecule CC(C)O[C@@H]1O[C@H](COC(=O)CC(C)(O)CC(=O)O[C@H](CC\C(C)=C\COc2c3ccoc3cc3oc(=O)ccc23)C(C)(C)O)[C@@H](O)[C@H](O)[C@H]1O CC(C)O[C@@H]1O[C@H](COC(=O)CC(C)(O)CC(=O)O[C@H](CC\C(C)=C\COc2c3ccoc3cc3oc(=O)ccc23)C(C)(C)O)[C@@H](O)[C@H](O)[C@H]1O is citrusoside B. It has the role of metabolite . It is also related to or classified as lipopolysaccharide  .
The molecule [H][C@@]1(O[C@@](C[C@@H](O)[C@H]1OP(O)(O)=O)(OC[C@H]1O[C@@H](OCC=C)[C@H](NC(C)=O)[C@@H](O)[C@@H]1O)C(O)=O)[C@H](O)CO [H][C@@]1(O[C@@](C[C@@H](O)[C@H]1OP(O)(O)=O)(OC[C@H]1O[C@@H](OCC=C)[C@H](NC(C)=O)[C@@H](O)[C@@H]1O)C(O)=O)[C@H](O)CO is an amino disaccharide consisting of a 3-deoxy-5-O-phosphono-D-manno-oct-2-ulose residue attached to beta-glucosamine via an alpha-(2->6)-linkage with an O-allyl group at the anomeric centre. It is also related to or classified as amino disaccharide , glucosamine oligosaccharide .
The molecule O=C(O)/C=C/C=C/[C@@]1(O)C(=C[C@H](O)[C@@H]2[C@@H]1[C@@H](C[C@@H](C2)C)C)C O=C(O)/C=C/C=C/[C@@]1(O)C(=C[C@H](O)[C@@H]2[C@@H]1[C@@H](C[C@@H](C2)C)C)C is Tanzawaic acid J. It is also related to or classified as medium-chain fatty acid  .
The molecule C1CN(CCN1CCCN2CCN(CC2)C3=C4C=CC(=CC4=NC=C3)Cl)C5=C6C=CC(=CC6=NC=C5)Cl is an aminoquinoline that is 1,3-di(piperazin-1-yl)propane in which the nitrogen at position 4 of each of the piperazine moieties is replaced by a 7-chloroquinolin-4-yl group. It has a role as an antimalarial. It is a N-arylpiperazine, an organochlorine compound and an aminoquinoline.
The molecule O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1OP(=O)([O-])[O-])CC=CCCC=CCC=CCCCCC O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1OP(=O)([O-])[O-])CC=CCCC=CCC=CCCCCC is (3E,7Z,10Z)-hexadecatrienoyl-CoA(4-). It is also related to or classified as trans-3-enoyl-CoA(4-)  . It is also related to or classified as polyunsaturated fatty acyl-CoA(4-)  .
The molecule NC(=O)CC(=O)C([O-])=O NC(=O)CC(=O)C([O-])=O is the conjugate base of 2-oxosuccinamic acid; major species at pH 7.3. It is also related to or classified as 2-oxo monocarboxylic acid anion  .
The molecule CC[C@@H](C#N)O CC[C@@H](C#N)O is optically active cyanohydrin that can be produced using the (S)-hydroxynitrile lyase from Manihot esculenta (https://doi.org/doi:10.1002/anie.199604371). It is also related to or classified as cyanohydrin  .
The molecule C1=C2C=C(NC2=CC(=C1O)[O-])C(=O)O is an indolecarboxylate and a dihydroxyindole. It has a role as a human metabolite. It is a conjugate base of a 5,6-dihydroxyindole-2-carboxylic acid. It is a conjugate acid of a 5,6-dioxidoindole-2-carboxylate.
The molecule CC(C)O[C@@H]1O[C@H](COC(=O)\C=C\C[C@H](C)CCC=C(C)C)[C@@H](O)[C@H](O)[C@H]1O CC(C)O[C@@H]1O[C@H](COC(=O)\C=C\C[C@H](C)CCC=C(C)C)[C@@H](O)[C@H](O)[C@H]1O is citrusoside A. It has the role of metabolite . It is also related to or classified as lipopolysaccharide  .
The molecule [H][C@@]1(O[C@@](C[C@@H](OP(O)(O)=O)[C@H]1O)(OC[C@H]1O[C@@H](OCC=C)[C@H](NC(C)=O)[C@@H](O)[C@@H]1O)C(O)=O)[C@H](O)CO [H][C@@]1(O[C@@](C[C@@H](OP(O)(O)=O)[C@H]1O)(OC[C@H]1O[C@@H](OCC=C)[C@H](NC(C)=O)[C@@H](O)[C@@H]1O)C(O)=O)[C@H](O)CO is an amino disaccharide consisting of a 3-deoxy-4-O-phosphono-D-manno-oct-2-ulose residue attached to beta-glucosamine via an alpha-(2->6)-linkage with an O-allyl group at the anomeric centre. It is also related to or classified as amino disaccharide , glucosamine oligosaccharide .
The molecule c1cnsc1 c1cnsc1 is isothiazole. It is also related to or classified as mancude organic heteromonocyclic parent , 1,2-thiazoles , monocyclic heteroarene .
The molecule C1=CC=C(C=C1)CC2=CC(=O)C(=CN2C3=CC=C(C=C3)F)C(=O)N is a member of the class of 4-pyridones that is nygerone B in which the N-phenyl substituent has been fluorinated at the para position. It has been isolated from Aspergillus niger ATCC 1015. It has a role as an Aspergillus metabolite. It is a monocarboxylic acid amide, a member of 4-pyridones, a member of monofluorobenzenes and a biaryl. It derives from a nygerone B.