anonymous041/ChEBI-Augmented huggingface dataset:
The molecule [C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2O)CO)O[C@@H]3[C@H]([C@@H](O[C@@H]([C@H]3O)CO)O[C@@H]4[C@H]([C@@H](O[C@@H]([C@H]4O)CO)O[C@@H]5[C@H]([C@@H](O[C@@H]([C@H]5O)CO[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O[C@@H]8[C@H]([C@@H](O[C@@H]([C@H]8O)CO)O[C@@H]9[C@H]([C@@H](O[C@@H]([C@H]9O)CO)O[C@@H]%10[C@H]([C@@H](O[C@@H]([C@H]%10O)CO)O[C@@H]%11[C@H]([C@@H](O[C@@H]([C@H]%11O)CO)O)O)O)O)O)O)O)O)O [C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2O)CO)O[C@@H]3[C@H]([C@@H](O[C@@H]([C@H]3O)CO)O[C@@H]4[C@H]([C@@H](O[C@@H]([C@H]4O)CO)O[C@@H]5[C@H]([C@@H](O[C@@H]([C@H]5O)CO[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O[C@@H]8[C@H]([C@@H](O[C@@H]([C@H]8O)CO)O[C@@H]9[C@H]([C@@H](O[C@@H]([C@H]9O)CO)O[C@@H]%10[C@H]([C@@H](O[C@@H]([C@H]%10O)CO)O[C@@H]%11[C@H]([C@@H](O[C@@H]([C@H]%11O)CO)O)O)O)O)O)O)O)O)O is A branched beta-D-glucan that consists of a beta-1,3-linked nonaglucan backbone with a beta-1,3-glucodiaose branch at the 6-O-position of the nonaglucan central sugar unit. It is also related to or classified as beta-D-glucan  .
The molecule C([C@@H]1[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[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)O)O)O is a galactotriose consisting of two alpha-D-galactopyranose residues and a beta-D-galactopyranose residue joined in sequence by (1->6) and (1->3) glycosidic bonds. It derives from an alpha-D-Galp-(1->3)-beta-D-Galp.
The molecule O[C@H]([C@@H](O)C(O)=O)C(O)=O.O[C@H]([C@@H](O)C(O)=O)C(O)=O.[H][C@]12CN(CC(CC)=C1)Cc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C)[C@@]1([H])[C@@](O)([C@H](OC(C)=O)[C@]3(CC)C=CCN4CC[C@]21[C@]34[H])C(=O)OC O[C@H]([C@@H](O)C(O)=O)C(O)=O.O[C@H]([C@@H](O)C(O)=O)C(O)=O.[H][C@]12CN(CC(CC)=C1)Cc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C)[C@@]1([H])[C@@](O)([C@H](OC(C)=O)[C@]3(CC)C=CCN4CC[C@]21[C@]34[H])C(=O)OC is the L-(+)-tartrate salt of vinorelbine. It has the role of antineoplastic agent . It is also related to or classified as tartrate salt .
The molecule [C@@]12(C)[C@]3([C@]([C@@]4(CC[C@@H](C(C4=CC3)(C)C)O)[H])(CC[C@]2(C)[C@](CC1)([C@@H](CC[C@H](C(C)(C)O)O)C)[H])C)[H] [C@@]12(C)[C@]3([C@]([C@@]4(CC[C@@H](C(C4=CC3)(C)C)O)[H])(CC[C@]2(C)[C@](CC1)([C@@H](CC[C@H](C(C)(C)O)O)C)[H])C)[H] is (24R)-24,25-dihydroxycucurbitadienol. It has the role of plant metabolite . Its functional parent is (24S)-24,25-epoxycucurbitadienol . It is also related to or classified as tetracyclic triterpenoid .
The molecule CCOC(=O)CC(C(=O)OCC)O is a malate ester obtained by the formal condensation of the two carboxy groups of malic acid with two molecules of ethanol respectively. It has a role as a metabolite.
The molecule [H][C@]12OC(=O)c3cc(O)c(OC)c(O)c3[C@]1([H])O[C@H](CO)[C@@H](O)[C@@H]2O [H][C@]12OC(=O)c3cc(O)c(OC)c(O)c3[C@]1([H])O[C@H](CO)[C@@H](O)[C@@H]2O is Bergenin. It has the role of metabolite . It is also related to or classified as trihydroxybenzoic acid .
The molecule C=1(F)C(C(=O)NC(=O)NC2=CC(Cl)=C(C(=C2)Cl)OC3=NC=C(C=C3Cl)C(F)(F)F)=C(F)C=CC1 C=1(F)C(C(=O)NC(=O)NC2=CC(Cl)=C(C(=C2)Cl)OC3=NC=C(C=C3Cl)C(F)(F)F)=C(F)C=CC1 is chlorfluazuron. It is also related to or classified as dichlorobenzene  . It is also related to or classified as organochlorine insecticide , benzoylurea insecticide , organofluorine insecticide .
The molecule CCOC(=O)CC1=CSC(=N1)NC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)OC CCOC(=O)CC1=CSC(=N1)NC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)OC is 2-[2-[[2-[[1-(4-methoxyphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]-1-oxoethyl]amino]-4-thiazolyl]acetic acid ethyl ester. It is also related to or classified as pyrazoles , ring assembly .
The molecule CC1=NOC(C)=C1[C@@H](C2=CC3=CC(CC(N[C@H](C4=CC=C(C)C=C4C)C5=CC=CC=C5)=O)=CC=C3O2)O CC1=NOC(C)=C1[C@@H](C2=CC3=CC(CC(N[C@H](C4=CC=C(C)C=C4C)C5=CC=CC=C5)=O)=CC=C3O2)O is tMP778 is a potent and selective RORgt inverse agonist. It is also related to or classified as organic molecular entity .
The molecule C=1(C(=CC(=CC1)C=O)C(=O)O)O C=1(C(=CC(=CC1)C=O)C(=O)O)O is A monohydroxybenzoic acid in which a benzoic acid nucleus is substituted at positions 2 and 5 by a formyl group and an hydroxy group  respectively. Its functional parent is salicylic acid .   It is also related to or classified as phenols  . It is also related to or classified as benzaldehydes , monohydroxybenzoic acid .
The molecule C1=C(O[C@H]([C@@H]([C@H]1O)OS(=O)(=O)O)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)NS(=O)(=O)O)O[C@H]3[C@@H]([C@H]([C@@H](O[C@H]3C(=O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)NS(=O)(=O)O)O)COS(=O)(=O)O)O)O)COS(=O)(=O)O)C(=O)O is an amino tetrasaccharide comprising the sequence alpha-L-DeltaHexA(2S)-(1->4)-alpha-D-GlcNS(6S)-(1->4)-alpha-L-IdoA-(1->4)-alpha-D-GlcNS(6S). It is an amino tetrasaccharide, a heparin tetrasaccharide and an oligosaccharide sulfate.
The molecule O(C1C(C=2C(C3(C(C4(C(C(CC4)C(C(O)C(O)C=C(C)C)C)(CC3)C)C)CC2)C)CC1)(C)C)C5OC(C(O)C(O)C5O)COC6OC(C(O)C(O)C6O)CO O(C1C(C=2C(C3(C(C4(C(C(CC4)C(C(O)C(O)C=C(C)C)C)(CC3)C)C)CC2)C)CC1)(C)C)C5OC(C(O)C(O)C5O)COC6OC(C(O)C(O)C6O)CO is Momordicoside D.  It is also related to or classified as glycoside  . It is also related to or classified as cucurbitacin .
The molecule O=C1O[C@@H](CC(=O)O[C@@H](CC(=O)O[C@@H](CC=2C=C(O)C=C(C2C(O[C@@H](CC(O[C@@H](CC=3C1=C(O)C=C(OC)C3)C)=O)C)=O)O)C)CO)C O=C1O[C@@H](CC(=O)O[C@@H](CC(=O)O[C@@H](CC=2C=C(O)C=C(C2C(O[C@@H](CC(O[C@@H](CC=3C1=C(O)C=C(OC)C3)C)=O)C)=O)O)C)CO)C is Calcaride B. Its functional parent is hexacarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[C@H](C)CO)C)CN(C)CC3=CC=CC=C3 C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[C@H](C)CO)C)CN(C)CC3=CC=CC=C3 is 4,4,4-trifluoro-N-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(phenylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule Cl.N([C@@H](CCCNC(N)=N)B(O)O)C(=O)[C@@H]1CCCN1C([C@@H](CC2=CC=CC=C2)NC(C)=O)=O Cl.N([C@@H](CCCNC(N)=N)B(O)O)C(=O)[C@@H]1CCCN1C([C@@H](CC2=CC=CC=C2)NC(C)=O)=O is A hydrochloride resulting from the formal reaction of equimolar amounts of Ac-(D)Phe-Pro-boroArg-OH and hydrogen chloride. A thrombin (Factor IIa) inhibitor, thereby acting as an anticoagulant. It has the role of anticoagulant . It has the role of EC 3.4.21.5 (thrombin) inhibitor . It is also related to or classified as hydrochloride .
The molecule [C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2O)CO)O[C@@H]3[C@H]([C@@H](O[C@@H]([C@H]3O)CO)O[C@@H]4[C@H]([C@@H](O[C@@H]([C@H]4O)CO)O[C@@H]5[C@H]([C@@H](O[C@@H]([C@H]5O)CO[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O[C@@H]8[C@H]([C@@H](O[C@@H]([C@H]8O)CO)O[C@@H]9[C@H]([C@@H](O[C@@H]([C@H]9O)CO)O[C@@H]%10[C@H]([C@@H](O[C@@H]([C@H]%10O)CO)O[C@@H]%11[C@H]([C@@H](O[C@@H]([C@H]%11O)CO)OCCN)O)O)O)O)O)O)O)O [C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2O)CO)O[C@@H]3[C@H]([C@@H](O[C@@H]([C@H]3O)CO)O[C@@H]4[C@H]([C@@H](O[C@@H]([C@H]4O)CO)O[C@@H]5[C@H]([C@@H](O[C@@H]([C@H]5O)CO[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O[C@@H]8[C@H]([C@@H](O[C@@H]([C@H]8O)CO)O[C@@H]9[C@H]([C@@H](O[C@@H]([C@H]9O)CO)O[C@@H]%10[C@H]([C@@H](O[C@@H]([C@H]%10O)CO)O[C@@H]%11[C@H]([C@@H](O[C@@H]([C@H]%11O)CO)OCCN)O)O)O)O)O)O)O)O is A glycoside that consists of a beta-1,3-linked nonaglucan backbone with a beta-1,3-glucodiose branch at the 6-O-position of the nonaglucan central sugar unit and with a 2-aminoethoxy moiety at the reducing-end anomeric centre. Its functional parent is beta-D-Glc-(1->3)-beta-D-Glc-(1->3)-beta-D-Glc-(1->3)-beta-D-Glc-(1->3)-[beta-D-Glc-(1->3)-beta-D-Glc-(1->6)]-beta-D-Glc-(1->3)-beta-D-Glc-(1->3)-beta-D-Glc-(1->3)-beta-D-Glc-(1->3)-beta-D-Glc . It is also related to or classified as glycoside  . It is also related to or classified as oligosaccharide derivative .
The molecule C1=NN(C(=O)C(=C1N)Cl)C(=O)/C(=C/C=C/C(=O)[O-])/[O-] is a monocarboxylic acid anion arising from deprotonation of the carboxy and enol groups of 5-amino-4-chloro-2-(2-hydroxymuconoyl)pyridazin-3(2H)-one; major species at pH 7.3. It is a conjugate base of a 5-amino-4-chloro-2-(2-hydroxymuconoyl)pyridazin-3(2H)-one.
The molecule S([C@@]1(SC)[C@@]2([C@]([C@]3([C@](F)([C@@H](O)C2)[C@@]4(C(CC3)=CC(=O)C=C4)C)[H])(CC1)[H])C)CC S([C@@]1(SC)[C@@]2([C@]([C@]3([C@](F)([C@@H](O)C2)[C@@]4(C(CC3)=CC(=O)C=C4)C)[H])(CC1)[H])C)CC is Tipredane. It has the role of androgen . It is also related to or classified as 3-hydroxy steroid .
The molecule C(CCO)CC(=O)C(=O)O is a hexanoic acid compound having an oxo substituent at the 2-position and a hydroxy substituent at the 6-position. It is a 2-oxo monocarboxylic acid and a 6-hydroxy monocarboxylic acid. It derives from a hexanoic acid.
The molecule ClC=1C=2C(=O)C3=C(C4=C(O)C=5C(=O)C6=C([C@@H](O)C[C@@H]([C@@H]6O)O[C@H]7O[C@@H]([C@@H](O)[C@@H]([C@@H]7O)O)C)OC5C(=C4CC3)OC)C(C2C(=O)N(C1CCC)C)=O ClC=1C=2C(=O)C3=C(C4=C(O)C=5C(=O)C6=C([C@@H](O)C[C@@H]([C@@H]6O)O[C@H]7O[C@@H]([C@@H](O)[C@@H]([C@@H]7O)O)C)OC5C(=C4CC3)OC)C(C2C(=O)N(C1CCC)C)=O is Kibdelone B rhamnoside. It is also related to or classified as glycoside  . It is also related to or classified as benzochromenone .
The molecule O=C(O[C@H]1[C@H](O[C@H](COC(=O)C)[C@H]([C@@H]1O)O)O[C@@H]2O[C@H]([C@H](O)[C@H]([C@@H]2O)O)CO)CCCCCCCCCCCCCCCCC O=C(O[C@H]1[C@H](O[C@H](COC(=O)C)[C@H]([C@@H]1O)O)O[C@@H]2O[C@H]([C@H](O)[C@H]([C@@H]2O)O)CO)CCCCCCCCCCCCCCCCC is 6-0-acetyl2-0-octadecanoy 1-alpha ,alpha-D-trehalose. It is also related to or classified as fatty acid ester  .
The molecule C12=CC=CC=C2C=CC(=C1C=O)O C12=CC=CC=C2C=CC(=C1C=O)O is A member of the class of naphthaldehydes that is naphthalene-1-carbaldehyde substituted by a hydroxy group at position 2. Active core of sirtinol (CHEBI:73158). It is also related to or classified as naphthols , naphthaldehydes .
The molecule CCCCNc1cc(cc(c1Oc1ccccc1)S(N)(=O)=O)C(O)=O CCCCNc1cc(cc(c1Oc1ccccc1)S(N)(=O)=O)C(O)=O is A member of the class of benzoic acids that is 4-phenoxybenzoic acid in which the hydrogens ortho to the phenoxy group are substituted by butylamino and sulfamoyl groups. Bumetanide is a diuretic, and is used for treatment of oedema associated with congestive heart failure, hepatic and renal disease. It has the role of EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor . It has the role of diuretic .   It is also related to or classified as sulfonamide  . It is also related to or classified as benzoic acids , amino acid .
The molecule CC(C)C1=C2N=C(N=C(N2N=C1)NCC3=CC=CC=C3N4C=CC=N4)OC5CCCNC5 is a pyrazolotriazine that is pyrazolo[1,5-a][1,3,5]triazine substituted by a piperidin-3-yloxy group, [2-(1H-pyrazol-1-yl)benzyl]nitrilo group and an isopropyl group at positions 2, 4 and 8 respectively. It is a potent and selective CDK7 inhibitor and exhibits antiviral activity. It has a role as an EC 2.7.11.22 (cyclin-dependent kinase) inhibitor, an apoptosis inducer, an antineoplastic agent and an antiviral agent. It is a pyrazolotriazine, a member of pyrazoles, a member of piperidines, a secondary amino compound and an aromatic ether.
The molecule C[N+](C)([O-])C C[N+](C)([O-])C is A tertiary amine oxide resulting from the oxidation of the amino group of trimethylamine. It has the role of metabolite . It has the role of osmolyte . It has the role of Escherichia coli metabolite . Its functional parent is trimethylamine . It is also related to or classified as tertiary amine oxide  .
The molecule CCCCC(CC)CNC(=O)CC(C)OC(=O)CCC(O)=O CCCCC(CC)CNC(=O)CC(C)OC(=O)CCC(O)=O is Butoctamide hydrogen succinate.  It is also related to or classified as secondary carboxamide  . It is also related to or classified as hemisuccinate , dicarboxylic acid monoester .
The molecule C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3CCCCC3)[C@H](C)CO)C)CNC C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3CCCCC3)[C@H](C)CO)C)CNC is 1-cyclohexyl-3-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C(C(COC(=O)CCCCCCC/C=C\C[C@@H](CCCCCC)O)OC(=O)CCCCCCC/C=C\C[C@@H](CCCCCC)O)OC(=O)CCCCCCC/C=C\C[C@@H](CCCCCC)O C(C(COC(=O)CCCCCCC/C=C\C[C@@H](CCCCCC)O)OC(=O)CCCCCCC/C=C\C[C@@H](CCCCCC)O)OC(=O)CCCCCCC/C=C\C[C@@H](CCCCCC)O is A triglyceride formed by acylation of the three hydroxy groups of glycerol with ricinoleic acid, ((9Z,12R)-12-hydroxydec-9-enoic acid). It is the main constituent of castor oil. Its functional parent is ricinoleic acid . It is also related to or classified as homoallylic alcohol  . It is also related to or classified as triglyceride  . It is also related to or classified as secondary alcohol  .
The molecule CC(C)CC(=O)NCC(O)=O CC(C)CC(=O)NCC(O)=O is an N-acylglycine in which the acyl group is specified as isovaleryl. It has the role of human urinary metabolite . It is a conjugate acid of N-isovalerylglycinate . It is also related to or classified as N-acylglycine  .
The molecule COC1=C(C=CC(=C1)CCC(=O)CC(=O)/C=C/C2=CC(=C(C=C2)O)OC)O is a beta-diketone that is curcumin in which one of the double bonds has been reduced to a single bond. It has a role as a metabolite. It is a polyphenol, a beta-diketone, an enone and a diarylheptanoid. It derives from a curcumin.
The molecule CCSC1=NN2C(N1C1=CC=CC=C1)=C(C#N)C(N)=C(C#N)C2=O CCSC1=NN2C(N1C1=CC=CC=C1)=C(C#N)C(N)=C(C#N)C2=O is A member of the class of triazolopyridines that is [1,2,4]triazolo[1,5-a]pyridin-5(1H)-one substituted by phenyl, ethylsulfanediyl, cyano, amino and cyano groups at positions 1, 2, 6, 7 and 8, respectively. It has the role of geroprotector . It has the role of antioxidant . It is also related to or classified as organic sulfide  .     It is also related to or classified as dinitrile  . It is also related to or classified as benzenes , aromatic amine , triazolopyridine , primary amino compound .
The molecule C[C@@]1(C[C@]2([C@H](CC(=O)O2)OO1)C)CCCCCCCCCCCCC3=CC=CC=C3 is an organic heterobicyclic compound that is a cyclic peroxy compound isolated from the Australian marine sponge Plakinastrella clathrata. It has a role as a metabolite. It is a gamma-lactone and an organic heterobicyclic compound.
The molecule [H]C(=O)CC1CC=C(C)C1(C)C [H]C(=O)CC1CC=C(C)C1(C)C is an aldehyde that is acetaldehyde in which one of the methyl hydrogens is substituted by a 2,2,3-trimethylcyclopent-3-en-1-yl group. It is a constituent of the essential oil extracted from Angasomyrtus salina. It has the role of fragrance . It has the role of plant metabolite . Its functional parent is acetaldehyde .  It is also related to or classified as alpha-CH2-containing aldehyde  . It is also related to or classified as monocyclic compound .
The molecule CCCCCCCCCCC[C@@H](O)CC(=O)N[C@H]1[C@H](OC[C@H]2O[C@H](OP([O-])([O-])=O)[C@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H]2O)O[C@H](CO[C@@]2(C[C@@H](O[C@@]3(C[C@@H](O)[C@@H](O)[C@H](O3)[C@H](O)CO)C([O-])=O)[C@@H](O)[C@H](O2)[C@H](O)CO)C([O-])=O)[C@@H](OP([O-])([O-])=O)[C@@H]1OC(=O)C[C@H](O)CCCCCCCCCCC CCCCCCCCCCC[C@@H](O)CC(=O)N[C@H]1[C@H](OC[C@H]2O[C@H](OP([O-])([O-])=O)[C@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H]2O)O[C@H](CO[C@@]2(C[C@@H](O[C@@]3(C[C@@H](O)[C@@H](O)[C@H](O3)[C@H](O)CO)C([O-])=O)[C@@H](O)[C@H](O2)[C@H](O)CO)C([O-])=O)[C@@H](OP([O-])([O-])=O)[C@@H]1OC(=O)C[C@H](O)CCCCCCCCCCC is (KDO)2-lipid IVA deprotonated at both phosphono groups and at the uronic acid carboxy groups. It is the major species at pH 7.3. It is also related to or classified as a (Kdo)2-lipid IVA(6-)  . It is also related to or classified as lipid IVA oxoanion .
The molecule [Te] [Te] is tellurium atom.  It is also related to or classified as chalcogen  . It is also related to or classified as metalloid atom .
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)C3CCCCC3 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)C3CCCCC3 is N-[[(3R,9R,10S)-16-(dimethylamino)-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-9-yl]methyl]-N-methylcyclohexanecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule O=C(NCC1(C2=NC(C3=CC=CC=C3)=CS2)CCOCC1)C4=CC=CC(C5=NOC(C(F)(F)F)=N5)=C4 O=C(NCC1(C2=NC(C3=CC=CC=C3)=CS2)CCOCC1)C4=CC=CC(C5=NOC(C(F)(F)F)=N5)=C4 is tMP269 is a novel and selective class IIa histone deacetylase (HDAC) inhibitor. It is also related to or classified as organic molecular entity .
The molecule [H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3([H])[C@H](O)[C@]3([H])O[C@]5(CC[C@@H](C)CO5)[C@@H](C)[C@]43[H])[C@@]1(C)C[C@@H](O)[C@H](O)C2 [H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3([H])[C@H](O)[C@]3([H])O[C@]5(CC[C@@H](C)CO5)[C@@H](C)[C@]43[H])[C@@]1(C)C[C@@H](O)[C@H](O)C2 is digitogenin. It has the role of plant metabolite . It is also related to or classified as 3beta-hydroxy steroid  . It is also related to or classified as 2alpha-hydroxy steroid , 15beta-hydroxy steroid .
The molecule C12=NC=C(N=C2C(=NC(=N1)N)N)C=O C12=NC=C(N=C2C(=NC(=N1)N)N)C=O is A member of the class of pteridines that is pteridine in which the hydrogens at positions 2 and 4 are replaced by amino groups, whilst that at position 6 is replaced by a carbaldehyde group. It is also related to or classified as pteridines , heteroarenecarbaldehyde , primary amino compound .
The molecule C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)C3=CC(=NN3C)C)O[C@@H]1CN(C)C)[C@H](C)CO C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)C3=CC(=NN3C)C)O[C@@H]1CN(C)C)[C@H](C)CO is N-[(2S,3R)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2,5-dimethyl-3-pyrazolecarboxamide. It is also related to or classified as heteroarene  . It is also related to or classified as aromatic amide .
The molecule CN1C=NC=C1C2=C(C(=O)NC2=O)C3=CNC4=C3C=CC(=C4)Br is a member of indoles, a member of maleimides and a member of pyrroles. It has a role as a metabolite.
The molecule C1[C@@H]([C@@H]([C@H]([C@@H]1O)/C=C/[C@@H](O)CCC=2C=CC=CC2)C/C=C/CCCC(=O)NCC)O C1[C@@H]([C@@H]([C@H]([C@@H]1O)/C=C/[C@@H](O)CCC=2C=CC=CC2)C/C=C/CCCC(=O)NCC)O is 5-trans-17-phenyl trinor Prostaglandin F2alpha ethyl amide. It is also related to or classified as prostanoid  .
The molecule C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3CCCCC3)[C@H](C)CO)C)CN(C)C(=O)NC(C)C C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3CCCCC3)[C@H](C)CO)C)CN(C)C(=O)NC(C)C is 1-[[(3S,9R,10S)-16-[[(cyclohexylamino)-oxomethyl]amino]-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]-1-methyl-3-propan-2-ylurea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule O=C1C2=C(O)C3=C(C[C@](O)(C)O[C@@H]3CCC)C=C2C(=O)C=C1[C@H]4OC(CO)[C@H]([C@H]4O)O O=C1C2=C(O)C3=C(C[C@](O)(C)O[C@@H]3CCC)C=C2C(=O)C=C1[C@H]4OC(CO)[C@H]([C@H]4O)O is Exfoliamycin. It is also related to or classified as glycoside  . It is also related to or classified as benzochromenone .
The molecule C(CNC(=O)CC(C)C)(=O)[O-] C(CNC(=O)CC(C)C)(=O)[O-] is A monocarboxylic acid anion that is the conjugate base of N-isovalerylglycine, obtained by deprotonation of the carboxy group; major species at pH 7.3. It has the role of human urinary metabolite . It is also related to or classified as monocarboxylic acid anion  . It is also related to or classified as N-acylglycinate  .
The molecule COC(=O)C1=CC=CC=C1S(=O)(=O)N is a benzoate ester that is methyl benzoate substituted by a sulfamoyl group at position 2. It is a metabolite of the herbicide metsulfuron-methyl. It has a role as a marine xenobiotic metabolite. It is a benzoate ester, a sulfonamide and a methyl ester.
The molecule O1C(C(O)C(O)C(O)C1OC2=C(OC)C(O)=C(C=C2)C(=O)/C=C/C3=CC(OC)=C(OC)C=C3)CO O1C(C(O)C(O)C(O)C1OC2=C(OC)C(O)=C(C=C2)C(=O)/C=C/C3=CC(OC)=C(OC)C=C3)CO is Okanin 3,4,3'-trimethyl ether 4'-glucoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule Cl.CNCC1=CC=C(C=C1)C1=CC2=CC(F)=CC(C(N)=O)=C2O1 Cl.CNCC1=CC=C(C=C1)C1=CC2=CC(F)=CC(C(N)=O)=C2O1 is the hydrochloride salt of mefuparib. It is a potent poly(ADP-ribose) polymerase inhibitor which exhibits strong anticancer activity and also inhibits SARS-CoV-2 in cell culture. It has the role of anticoronaviral agent . It has the role of antineoplastic agent . It has the role of EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor . It has the role of apoptosis inducer . It is also related to or classified as hydrochloride .
The molecule COC1=CC=CC(=C1)[N+](=O)[O-] is a member of the class of 3-nitroanisoles that is anisole in which one of the hydrogens meta to the methoxy group is replaced by a nitro group.
The molecule CCNC(C)Cc1cccc(c1)C(F)(F)F CCNC(C)Cc1cccc(c1)C(F)(F)F is A  secondary amino compound that is 1-phenyl-propan-2-amine in which one of the meta-hydrogens is substituted by trifluoromethyl, and one of the hydrogens attached to the nitrogen is substituted by an ethyl group. It binds to the serotonin reuptake pump, causing inhbition of serotonin uptake and release of serotonin. The resulting increased levels of serotonin lead to greater serotonin receptor activation which in turn lead to enhancement of serotoninergic transmission in the centres of feeding behavior located in the hypothalamus. This suppresses the appetite for carbohydrates. Fenfluramine was used as the hydrochloride for treatment of diabetes and obesity. It was withdrawn worldwide after reports of heart valve disease and pulmonary hypertension. It has the role of serotonergic agonist . It has the role of appetite depressant . It has the role of serotonin uptake inhibitor . It is also related to or classified as secondary amino compound , (trifluoromethyl)benzenes .
The molecule [Pr] [Pr] is praseodymium atom. It is also related to or classified as lanthanoid atom  . It is also related to or classified as f-block element atom .
The molecule CN1CCN(CC1)CC(=O)N1c2ccccc2C(=O)Nc2cccnc12 CN1CCN(CC1)CC(=O)N1c2ccccc2C(=O)Nc2cccnc12 is pirenzepine. 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 pyridobenzodiazepine .
The molecule O=C(O[C@@H](CO)CC(=O)O)C1=C(O)C=C(O)C=C1C[C@H](OC(=O)C[C@H](OC(=O)C[C@@H](O)C)C)C O=C(O[C@@H](CO)CC(=O)O)C1=C(O)C=C(O)C=C1C[C@H](OC(=O)C[C@H](OC(=O)C[C@@H](O)C)C)C is Talapolyester A. Its functional parent is tetracarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule O=C(CCC/C=C\C/C=C\CC(/C=C/[C@@H]1[C@H](CCCCC)O1)O)[O-] O=C(CCC/C=C\C/C=C\CC(/C=C/[C@@H]1[C@H](CCCCC)O1)O)[O-] is an epoxy(hydroxy)icosatrienoate that is the conjugate base of 11 hydroxy-(14R,15S)-epoxy-(5Z,8Z,12E)-icosatrienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as epoxy(hydroxy)icosatrienoate .
The molecule C1=CC=C2C(=C1)C(=C[NH+]2)C[C@@H](C(=O)O)N is a tryptophanyl radical cation. It derives from a L-tryptophan. It is a conjugate acid of a L-tryptophanyl radical. It is an enantiomer of a D-tryptophanyl radical cation.
The molecule O=C([O-])[C@@]12CC[C@]3([C@@]4(CC[C@]5([C@]([C@H](CC[C@@]5([C@]4(CC=C3[C@@]1(CC(C)(C)CC2)[H])[H])C)O)(C)C([O-])=O)[H])C)C O=C([O-])[C@@]12CC[C@]3([C@@]4(CC[C@]5([C@]([C@H](CC[C@@]5([C@]4(CC=C3[C@@]1(CC(C)(C)CC2)[H])[H])C)O)(C)C([O-])=O)[H])C)C is A dicarboxylic acid dianion obtained by deprotonation of both carboxy groups of gypsogenic acid; major species at pH 7.3. It is also related to or classified as isoprenoid  . It is also related to or classified as dicarboxylic acid dianion  .