anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)CS(=O)(=O)[O-].[Na+] is an organic sodium salt of antipyrine substituted at C-4 by a methyl(sulfonatomethyl)amino group, commonly used as a powerful analgesic and antipyretic. It has a role as a non-steroidal anti-inflammatory drug, a non-narcotic analgesic, an antirheumatic drug, a peripheral nervous system drug, an antipyretic, a prodrug and a cyclooxygenase 3 inhibitor. It contains a metamizole(1-).
The molecule C1C[NH2+]C[C@H](C2=C1C=C(C(=C2)O)O)C3=CC=CC=C3 C1C[NH2+]C[C@H](C2=C1C=C(C(=C2)O)O)C3=CC=CC=C3 is an organic cation obtained by protonation of the secondary amino function of (S)-SKF 38393. It is a conjugate acid of (S)-SKF 38393 . It is also related to or classified as organic cation , ammonium ion derivative .
The molecule CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@@H]([C@H]2O)[NH+](C)C)[C@@H](CC=O)C[C@@H](C)C(=O)\C=C\C(\C)=C\[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](O)[C@H]1OC CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@@H]([C@H]2O)[NH+](C)C)[C@@H](CC=O)C[C@@H](C)C(=O)\C=C\C(\C)=C\[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](O)[C@H]1OC is an organic cation that is the conjugate acid of macrocin, obtained by protonation of the tertiary amino group; major species at pH 7.3. It is a conjugate acid of macrocin . It is also related to or classified as organic cation , ammonium ion derivative .
The molecule Cl[C@@]12C(=O)C3=C(O)C(=C(O)C=C3C([C@@]1(OC(C)(C)[C@@H](C2)Cl)C[C@@H]4C(=C)CC[C@@H](C4(C)C)Cl)=O)C Cl[C@@]12C(=O)C3=C(O)C(=C(O)C=C3C([C@@]1(OC(C)(C)[C@@H](C2)Cl)C[C@@H]4C(=C)CC[C@@H](C4(C)C)Cl)=O)C is Napyradiomycin B1. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule CCCCC\C=C/C\C=C/C=C/C=C/[C@@H](SC[C@H](N)C(=O)NCC(O)=O)[C@@H](O)CCCC(O)=O CCCCC\C=C/C\C=C/C=C/C=C/[C@@H](SC[C@H](N)C(=O)NCC(O)=O)[C@@H](O)CCCC(O)=O is A leukotriene that is (7E,9E,11Z,14Z)-icosa-7,9,11,14-tetraenoic acid substituted by a hydroxy group at position 5 (5S) and a L-cysteinylglycinyl group at position 6 (6R). It has the role of bronchoconstrictor agent . It has the role of mouse metabolite . It has the role of human metabolite . Its functional parent is icosa-7,9,11,14-tetraenoic acid . It is a conjugate acid of leukotriene D4(1-) . It is also related to or classified as organic sulfide  . It is also related to or classified as leukotriene  . It is also related to or classified as dipeptide  .
The molecule C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@H](C)CO)C)CN(C)CC4=CC=NC=C4 C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@H](C)CO)C)CN(C)CC4=CC=NC=C4 is N-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCCCS(=N)(=O)CCC(C(=O)O)N is a sulfoximide that is the sulfoximine derivative of an analogue of DL-methionine in which the S-methyl group is replaced by S-butyl. It has a role as an EC 6.3.2.2 (glutamate--cysteine ligase) inhibitor. It is a sulfoximide, a non-proteinogenic alpha-amino acid and a member of homocysteines.
The molecule COC1=CC(=NC2=C(O)C=CC=C12)C(O)=O COC1=CC(=NC2=C(O)C=CC=C12)C(O)=O is A quinolinemonocarboxylic acid that is xanthurenic acid in which the hydroxy group at position 4 is replaced by a methoxy group. It is a siderophore isolated from Pseudomonas fluorescens ATCC 17400. It has the role of siderophore . It has the role of bacterial metabolite . Its functional parent is xanthurenic acid .  It is also related to or classified as phenols  . It is also related to or classified as quinolinemonocarboxylic acid , aromatic ether , monohydroxyquinoline .
The molecule CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)O)N is an 8 amino acid oligopeptide fragment of kinetensin lacking the C-terminal L-leucine residue. It has a role as a histamine releasing agent and a human metabolite. It is a conjugate base of a kinetensin (1-8)(2+).
The molecule FC1=CC=C(C(=O)C2CCN(CC2)CCN3C(=O)C(C=4C3=CC=CC4)(C)C)C=C1.Cl FC1=CC=C(C(=O)C2CCN(CC2)CCN3C(=O)C(C=4C3=CC=CC4)(C)C)C=C1.Cl is A hydrochloride resulting from the formal reation of equimolar amount of LY-310762 with hydrogen chloride. A potent and selective antagonist for the 5-hydroxytryptamine 1D (5-HT1D) receptor. It has the role of serotonergic antagonist . It has the role of receptor modulator . It is also related to or classified as hydrochloride .
The molecule [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)c1ccc(O)cc1)C(O)=O [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)c1ccc(O)cc1)C(O)=O is A penicillin in which the substituent at position 6 of the penam ring is a 2-amino-2-(4-hydroxyphenyl)acetamido group. It has the role of antibacterial drug . It is a conjugate acid of amoxicillin(1-) .  It is also related to or classified as penicillin  . It is also related to or classified as penicillin allergen .
The molecule C1=CC(=C2C(=C1)SC(N2CC(=O)[O-])=O)Cl.C[NH2+]C C1=CC(=C2C(=C1)SC(N2CC(=O)[O-])=O)Cl.C[NH2+]C is an organoammonium salt resulting from the formal reaction of equimolar amounts of benazolin and dimethylamine.  It is used as a post-emergence herbicide for the control of annual weeds in crops. It has the role of herbicide . It has the role of synthetic auxin . It has the role of agrochemical . It is also related to or classified as organoammonium salt .
The molecule O=C1OC(=O)C(=C1CCCCCCCCCCCCCCC=2C(=O)OC(C2C)=O)C O=C1OC(=O)C(=C1CCCCCCCCCCCCCCC=2C(=O)OC(C2C)=O)C is Skeletocutin E. Its functional parent is tetracarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule CCCC[C@@H](C)[C@H]([C@H](C[C@@H](C)C[C@@H](CCCC[C@H](C[C@@H]([C@H](C)N)O)O)O)OC(=O)C[C@@H](CC(=O)O)C(=O)O)OC(=O)C[C@@H](CC(=O)O)C(=O)O is a diester that results from the condensation of the 1-carboxy groups of two molecules of propane-1,2,3-tricarboxylic acid with hydroxy groups at positions 14 and 15 of (2S,3S,5R,10R,12S,14S,15R,16R)-2-amino-12,16-dimethylicosane-3,5,10,14,15-pentol. It has a role as a metabolite and a carcinogenic agent. It is a fumonisin, a primary amino compound, a diester and a triol. It derives from a (2S,3S,5R,10R,12S,14S,15R,16R)-2-amino-12,16-dimethylicosane-3,5,10,14,15-pentol. It is a conjugate acid of a fumonisin B1(3-).
The molecule CC(C)(C)C1=CN=C(O1)CSC2=CN=C(S2)NC(=O)C3=CC(=NC=C3)N4CCN(CC4)C is a secondary carboxamide resulting from the formal condensation of the carboxy group of 2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid with the amino group of 5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-amine. A CDKL2 inhibitor (Kd = 63nM). It has a role as an EC 2.7.11.22 (cyclin-dependent kinase) inhibitor. It is a member of 1,3-oxazoles, a member of 1,3-thiazoles, an organic sulfide, a secondary carboxamide, a member of pyridines and a N-methylpiperazine.
The molecule ClC1=C2[C@]([C@@]3([C@]([C@]4([C@@]([C@@](O)(CC4)C)(CC3)C)[H])(CC2)[H])[H])(C)C=CC1=O ClC1=C2[C@]([C@@]3([C@]([C@]4([C@@]([C@@](O)(CC4)C)(CC3)C)[H])(CC2)[H])[H])(C)C=CC1=O is 4-Chloromethandienone. It has the role of androgen . It is also related to or classified as 3-hydroxy steroid .
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-[(3S,9R,10S)-9-[(dimethylamino)methyl]-12-[(2S)-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 C1(=C(C)C(=C([O-])C(=C1[O-])C(C2=C(C=C(C=C2C(=O)OC)O)OC)=O)Cl)Cl C1(=C(C)C(=C([O-])C(=C1[O-])C(C2=C(C=C(C=C2C(=O)OC)O)OC)=O)Cl)Cl is A phenolate anion obtained by deprotonation of the two phenolic hydroxy groups at positions 2 and 6 of dihydrogeodin. It is the major species at pH 7.3. It is also related to or classified as phenolate anion .
The molecule CC[C@]1(C[C@@H](C2=C([C@H]1C(=O)O)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4OC)O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N)O is an anthracycline antibiotic that is 13-deoxydaunorubicin substituted at position 10 by a carboxy group. It is an aminoglycoside, an anthracycline antibiotic, a deoxy hexoside, a monosaccharide derivative, a hydroxy monocarboxylic acid and a member of p-quinones. It derives from a daunorubicin. It is a tautomer of a 10-carboxy-13-deoxydaunorubicin zwitterion.
The molecule COc1ccc(cc1O)[C@@H]1CCc2ccc(O)c(C)c2O1 COc1ccc(cc1O)[C@@H]1CCc2ccc(O)c(C)c2O1 is A hydroxyflavan that is (2S)-flavan substituted by hydroxy groups at positions 7 and 3', a methoxy group at position 4' and a methyl group at position 8. It has the role of plant metabolite . It is also related to or classified as hydroxyflavan , methoxyflavan .
The molecule [H]C(C([H])=C(O)C([O-])=O)=C(C)C(=O)CC[C@]1([H])C(=O)CC[C@]2(C)C(=O)CC[C@@]12[H] [H]C(C([H])=C(O)C([O-])=O)=C(C)C(=O)CC[C@]1([H])C(=O)CC[C@]2(C)C(=O)CC[C@@]12[H] is A hydroxy monocarboxylic acid anion that is the conjugate base of 3-hydroxy-5,9,17-trioxo-4,5:9,10-disecoandrosta-1(10),2-dien-4-oic acid. It is also related to or classified as 6-oxo monocarboxylic acid anion , hydroxy monocarboxylic acid anion .
The molecule N[C@@H](CCC(=O)NN1CCC[C@@H]1C(O)=O)C(O)=O N[C@@H](CCC(=O)NN1CCC[C@@H]1C(O)=O)C(O)=O is linatine. It is also related to or classified as carbohydrazide  . It is also related to or classified as pyrrolidinemonocarboxylic acid , D-proline derivative .
The molecule O=C1C=2OC([C@H]3C[C@H](OC(=O)C(C)C)[C@@H](C[C@H]3C2C(=O)C4=C1C=5O[C@@H]6[C@H](OC[C@@]6(C5C(=C4)O)C)O)C)(C)C O=C1C=2OC([C@H]3C[C@H](OC(=O)C(C)C)[C@@H](C[C@H]3C2C(=O)C4=C1C=5O[C@@H]6[C@H](OC[C@@]6(C5C(=C4)O)C)O)C)(C)C is Naphthablin C. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule C(=C\C=C\[C@H](CCCC(O)=O)O)\C/C=C\C/C=C\C/C=C\CC C(=C\C=C\[C@H](CCCC(O)=O)O)\C/C=C\C/C=C\C/C=C\CC is 5S-HEPE. It is a conjugate acid of 5(S)-HEPE(1-) . It is also related to or classified as HEPE .
The molecule [C@H]1([C@H]([C@H](CC1=O)SC[C@H](NC(CC[C@H](N)C(=O)O)=O)C(=O)NCC(=O)O)/C=C/[C@H](CCCCC)O)C/C=C\CCCC(=O)O [C@H]1([C@H]([C@H](CC1=O)SC[C@H](NC(CC[C@H](N)C(=O)O)=O)C(=O)NCC(=O)O)/C=C/[C@H](CCCCC)O)C/C=C\CCCC(=O)O is A glutathione conjugate obtained by formal 1,4-addition of the thiol function of glutathione to the enone function of prostaglandin A2 (where the newly formed stereocentre at position 11 has S-configuration). Its functional parent is prostaglandin A2 . It is a conjugate acid of (S)-PGA2-S-glutathione conjugate(2-) . It is also related to or classified as organic sulfide  .  It is also related to or classified as prostanoid  . It is also related to or classified as glutathione conjugate .
The molecule CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\\C/C=C\\CCCCC is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which the acyl groups at positions 1 and 2 are specified as stearoyl and linoleoyl respectively. It derives from a linoleic acid and an octadecanoic acid. It is a tautomer of a 1-stearoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine zwitterion.
The molecule C[C@H]1OC(=O)[C@H](O)[C@@H](O)[C@@H]1O C[C@H]1OC(=O)[C@H](O)[C@@H](O)[C@@H]1O is A deoxygluconolactone with the hydroxy group at position 6 replaced by hydrogen. It is also related to or classified as deoxygluconolactone .
The molecule COCC(=O)NCCC(=O)N1CCCC1 is a monocarboxylic acid amide that is acetamide substituted by a methoxy group at position 2 and a 3-oxo-3-(pyrrolidin-1-yl)propyl group at the nitrogen atom. It has a role as a human urinary metabolite. It is a monocarboxylic acid amide and a member of pyrroles.
The molecule CC(=CCC1=C(C=CC(=C1O)O)C2=COC3=CC(=CC(=C3C2=O)O)O)C is a member of the class of 7-hydroxyisoflavones that is 7-hydroxyisoflavone with additional hydroxy groups at positions 5, 3' and 4' and a prenyl group at position 2'. Isolated from the roots of Psorothamnus arborescens, it exhibits antileishmanial activity. It has a role as a metabolite and an antileishmanial agent.
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)CC4CC4 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)CC4CC4 is N-[(3S,9S,10R)-9-[[cyclopropylmethyl(methyl)amino]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 C(NC(P(=O)(OCC)OCC)C)(N(N=O)CCCl)=O C(NC(P(=O)(OCC)OCC)C)(N(N=O)CCCl)=O is A member of the class of N-nitrosoureas that is ethyl diethylphosphonate in the hydrogen at position 1 of the ethyl group attached to the phosphorus has been replaced by a [(2-chloroethyl)(nitroso)carbamoyl]amino group. It is also related to or classified as organochlorine compound  . It is also related to or classified as organic phosphonate , N-nitrosoureas .
The molecule P(OC[C@@H](COCCCCCCCCCCCCCCCCCC)OC(C)=O)(=O)(OCC[N+](C)(C)C)[O-] P(OC[C@@H](COCCCCCCCCCCCCCCCCCC)OC(C)=O)(=O)(OCC[N+](C)(C)C)[O-] is A 2-acetyl-1-alkyl-sn-glycero-3-phosphocholine betaine which has octadecyl as the alkyl group. PAF is a potent phospholipid activator and mediator of many leukocyte functions, including platelet aggregation, inflammation, and anaphylaxis. It has the role of beta-adrenergic antagonist . It has the role of vasodilator agent . It has the role of antihypertensive agent . It has the role of bronchoconstrictor agent . It has the role of hematologic agent . It is also related to or classified as 2-acetyl-1-alkyl-sn-glycero-3-phosphocholine  .
The molecule OC[C@H]1OC(=O)C[C@@H](O)[C@@H]1O OC[C@H]1OC(=O)C[C@@H](O)[C@@H]1O is A deoxygluconolactone with the hydroxy group at position 2 replaced by hydrogen. It is also related to or classified as deoxygluconolactone .
The molecule CO[C@H]1CC2=C(C(=O)C3=C(C=CC=C3O2)O)[C@@]([C@@H]1O)(C(=O)OC)O is a member of the class of xanthones that is methyl-9-oxo-2,3,4,9-tetrahydro-1H-xanthene-1-carboxylate substituted by hydroxy groups at positions 1, 2 and 8 and a methoxy group at position 3 (the 1R,2R,3S stereoisomer). It has been isolated from Chaetomium globosum. It has a role as a Chaetomium metabolite. It is a member of phenols, an ether, a member of xanthones and a methyl ester.
The molecule O.O.O.[Ca++].CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC([O-])=O.CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC([O-])=O O.O.O.[Ca++].CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC([O-])=O.CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC([O-])=O is A hydrate that is the trihydrate form of atorvastatin calcium. It has the role of xenobiotic . It has the role of environmental contaminant . It is also related to or classified as hydrate , statin (synthetic) .
The molecule O1C(C(O)C(O)C(O)C1OC2=CC=C(C=C2)/C=C/C(=O)C=3C(OC)=CC(OC)=CC3O)CO O1C(C(O)C(O)C(O)C1OC2=CC=C(C=C2)/C=C/C(=O)C=3C(OC)=CC(OC)=CC3O)CO is 4,2'-Dihydroxy-4',6'-dimethoxychalcone 4-glucoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule [H][C@]1([C@H](COC1=O)Cc1ccc2OCOc2c1)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1cc(OC)c(OC)c(OC)c1 [H][C@]1([C@H](COC1=O)Cc1ccc2OCOc2c1)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1cc(OC)c(OC)c(OC)c1 is podorhizol beta-D-glucoside. Its functional parent is podorhizol .  It is also related to or classified as beta-D-glucoside  .  It is also related to or classified as gamma-lactone  . It is also related to or classified as benzyl alcohols , aromatic ether , benzodioxoles .
The molecule S(O[C@H]1[C@]2([C@]3([C@@]([C@](CC3)([C@@H](CCC(O)=O)C)[H])([C@@H](O)C[C@@]2([C@@]4([C@](C1)(C[C@H](O)CC4)[H])C)[H])C)[H])[H])(O)(=O)=O S(O[C@H]1[C@]2([C@]3([C@@]([C@](CC3)([C@@H](CCC(O)=O)C)[H])([C@@H](O)C[C@@]2([C@@]4([C@](C1)(C[C@H](O)CC4)[H])C)[H])C)[H])[H])(O)(=O)=O is 7-Sulfocholic acid. It is a conjugate acid of cholate 7-sulfate(2-) . It is also related to or classified as cholanoid .
The molecule CCCCCCCCCCCCCCCCC CCCCCCCCCCCCCCCCC is A straight-chain alkane with 17 carbon atoms. It is a component of essential oils from plants like Opuntia littoralis and Annona squamosa. It has the role of volatile oil component . It has the role of plant metabolite . It is also related to or classified as long-chain alkane  .
The molecule C=12C(C3=NC=CC4=CC5=C(C(C1C=C6C(=C2)OCO6)=C34)OCO5)=O C=12C(C3=NC=CC4=CC5=C(C(C1C=C6C(=C2)OCO6)=C34)OCO5)=O is an oxoaporphine alkaloid that is 7H-dibenzo[de,g]quinolin-7-one which is substituted by methylenedioxy grups at the 1,2 and 9,10 positions. Compared with liriodenine, which lacks the 9,10-methylenedioxy group, cassameridine displays only moderate antifungal activity. It has the role of plant metabolite . It is also related to or classified as oxoaporphine alkaloid , organonitrogen heterocyclic compound , cyclic ketone , organic heterohexacyclic compound , cyclic acetal .
The molecule O=C1C=2OC([C@H]3C[C@H](OC(=O)C(CC)C)[C@@H](C[C@H]3C2C(=O)C4=C1C=5O[C@@H]6[C@H](OC[C@@]6(C5C(=C4)O)C)O)C)(C)C O=C1C=2OC([C@H]3C[C@H](OC(=O)C(CC)C)[C@@H](C[C@H]3C2C(=O)C4=C1C=5O[C@@H]6[C@H](OC[C@@]6(C5C(=C4)O)C)O)C)(C)C is Naphthablin B. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule CCCCCC[C@H](CCCCC[C@@H](O)C(N)=O)OC(=O)[C@@H]1CC=CN1C(=O)C1=CC=CC=C1O CCCCCC[C@H](CCCCC[C@@H](O)C(N)=O)OC(=O)[C@@H]1CC=CN1C(=O)C1=CC=CC=C1O is A carboxylic ester resulting from the formal condensation of the carboxy group of (2S)-1-(2-hydroxybenzoyl)-2,3-dihydro-1H-pyrrole-2-carboxylic acid with the hydroxy group of (2R,8R)-2,8-dihydroxytetradecanamide. It is a metabolite isolated from Pseudomonas putida, , which resides in the rhizosphere of rice plants. The compound selectively inhibits the growth of Pseudomonas aeruginosa at low-micromolar concentrations. It has the role of antibacterial agent . It has the role of bacterial metabolite . Its functional parent is salicylic acid . It is also related to or classified as primary carboxamide  . It is also related to or classified as tertiary carboxamide  .  It is also related to or classified as pyrroline  . It is also related to or classified as carboxylic ester  . It is also related to or classified as phenols  . It is also related to or classified as secondary alcohol  . It is also related to or classified as benzamides .
The molecule CCCCC[C@H](O)\C=C\[C@H]1[C@@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O CCCCC[C@H](O)\C=C\[C@H]1[C@@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O is A prostanoid that is the C-11 epimer of PGE2. It has the role of mouse metabolite . It has the role of human metabolite . It has the role of rat metabolite . It is also related to or classified as diol  . It is also related to or classified as prostanoid  . It is also related to or classified as secondary alcohol  . It is also related to or classified as hydroxy monocarboxylic acid , cyclic ketone .
The molecule [C@H]1([C@H]([C@H](CC1=O)SC[C@H](NC(CC[C@H]([NH3+])C(=O)[O-])=O)C(=O)NCC(=O)[O-])/C=C/[C@H](CCCCC)O)C/C=C\CCCC(=O)[O-] [C@H]1([C@H]([C@H](CC1=O)SC[C@H](NC(CC[C@H]([NH3+])C(=O)[O-])=O)C(=O)NCC(=O)[O-])/C=C/[C@H](CCCCC)O)C/C=C\CCCC(=O)[O-] is A prostanoid anion obtained by deprotonation of the three carboxy groups and protonation of the glutamyl alpha-amino group of (S)-PGA2-S-glutathione conjugate; major species at pH 7.3. Its functional parent is prostaglandin A2(1-) . Its functional parent is glutathionate(1-) . It is also related to or classified as prostanoid anion .
The molecule C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O)C)C)C)[NH2+]C1 is a secondary ammonium ion resulting from the protonation of the amino group of solasodine. The major species at pH 7.3. It has a role as an antineoplastic agent, an anticonvulsant, an antifungal agent, an antiinfective agent, an antioxidant, an antipyretic, an antispermatogenic agent and an apoptosis inducer. It is a conjugate acid of a solasodine.
The molecule CC1=CC=CC=C1OCC(CO)O is a glycerol ether in which a single 2-methylphenyl group is attached at position 1 of glycerol via an ether linkage. It is an aromatic ether and a glycerol ether. It derives from an o-cresol.
The molecule Br.C1CNC[C@H](C2=C1C=C(C(=C2)O)O)C3=CC=CC=C3 Br.C1CNC[C@H](C2=C1C=C(C(=C2)O)O)C3=CC=CC=C3 is A hydrobromide obtained by combining (S)-SKF 38393 with one molar equivalent of hydrogen bromide. It is also related to or classified as hydrobromide  .
The molecule OC[C@H]1OC(O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2c2c([O-])cc3oc(cc(=O)c3c2O)-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O OC[C@H]1OC(O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2c2c([O-])cc3oc(cc(=O)c3c2O)-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O is the conjugate base of isovitexin 2''-O-beta-D-glucoside arising from selective deprotonation of 6-hydroxy group; major species at pH 7.3. It is also related to or classified as organic anion .
The molecule Cl[C@@]12C(=O)C3=C(O)C4=C(O)C=C3C([C@@]1(OC(C)(C)[C@@H](C2)Cl)CC=C(CCC(C(C4)=C)Cl)C)=O Cl[C@@]12C(=O)C3=C(O)C4=C(O)C=C3C([C@@]1(OC(C)(C)[C@@H](C2)Cl)CC=C(CCC(C(C4)=C)Cl)C)=O is Napyradiomycin C2. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule COC1=CC2=NC=CC(=C2C=C1C(=O)N)OC3=CC(=C(C=C3)NC(=O)NC4CC4)Cl.CS(=O)(=O)O is a methanesulfonate salt obtained by reaction of lenvatinib with one molar equivalent of methanesulfonic acid. A multi-kinase inhibitor and orphan drug used (as its mesylate salt) for the treatment of various types of thyroid cancer that do not respond to radioiodine. It has a role as an EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor, a fibroblast growth factor receptor antagonist, an orphan drug, a vascular endothelial growth factor receptor antagonist and an antineoplastic agent. It contains a lenvatinib(1+).
The molecule OS(O)(=O)=O.NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)CC[C@H]2N)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](N)[C@H]1O OS(O)(=O)=O.NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)CC[C@H]2N)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](N)[C@H]1O is arbekacin sulfate. Its functional parent is arbekacin . It is also related to or classified as aminoglycoside sulfate salt .
The molecule CC(=CCC/C(=C/CC/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(C)(C)OC)O)/C)/C)/C)C is a carotenoid ether that is spheroidene substituted at position 2 by a hydroxy group. It is a carotenoid ether and a carotenol. It derives from a spheroidene.
The molecule Cc1c(CCCO)[nH]c(=O)[nH]c1=O Cc1c(CCCO)[nH]c(=O)[nH]c1=O is A pyrimidone that is thymine in which the hydrogen at position 6 is substituted by a 3-hydroxypropyl group. Its functional parent is thymine . It is also related to or classified as primary alcohol  . It is also related to or classified as pyrimidone .
The molecule [H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@H]2[NH3+])C([O-])=O [H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@H]2[NH3+])C([O-])=O is zwitterionic form of 7beta-aminocephalosporanic acid. It is also related to or classified as amino-acid zwitterion .
The molecule [C@H]1([C@H]([C@@H](CC1=O)SC[C@H](NC(CC[C@H](N)C(=O)O)=O)C(=O)NCC(=O)O)/C=C/[C@H](CCCCC)O)C/C=C\CCCC(=O)O [C@H]1([C@H]([C@@H](CC1=O)SC[C@H](NC(CC[C@H](N)C(=O)O)=O)C(=O)NCC(=O)O)/C=C/[C@H](CCCCC)O)C/C=C\CCCC(=O)O is A glutathione conjugate obtained by formal 1,4-addition of the thiol function of glutathione to the enone function of prostaglandin A2 (where the newly formed stereocentre at position 11 has R-configuration). Its functional parent is prostaglandin A2 . It is a conjugate acid of (R)-PGA2-S-glutathione conjugate(2-) . It is also related to or classified as organic sulfide  .  It is also related to or classified as prostanoid  . It is also related to or classified as glutathione conjugate .