anonymous041/ChEBI-Augmented huggingface dataset:
The molecule O(P(OP(O[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1NC(=O)C)O[C@H]2O[C@@H]([C@@H]([C@@H]([C@H]2O)O)O)CO)O)CO)([O-])=O)([O-])=O)C/C=C(/C)\CC/C=C(/C)\CC/C=C(\CC/C=C(\CC/C=C(\CC/C=C(\CC/C=C(\CC/C=C(\CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)/C)/C)/C)/C)/C)/C O(P(OP(O[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1NC(=O)C)O[C@H]2O[C@@H]([C@@H]([C@@H]([C@H]2O)O)O)CO)O)CO)([O-])=O)([O-])=O)C/C=C(/C)\CC/C=C(/C)\CC/C=C(\CC/C=C(\CC/C=C(\CC/C=C(\CC/C=C(\CC/C=C(\CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)/C)/C)/C)/C)/C)/C is an organophosphate oxoanion arising from deprotonation of both free diphosphate OH groups of alpha-D-Gal-(1->3)-alpha-D-GlcNAc-diphospho-ditrans,octacis-undecaprenol; major species at pH 7.3. It is also related to or classified as organophosphate oxoanion .
The molecule [H]C(c1ccc(O)cc1)=C(C)c1ccc(O)cc1 [H]C(c1ccc(O)cc1)=C(C)c1ccc(O)cc1 is 4,4'-dihydroxy-alpha-methylstilbene. It has the role of mouse metabolite . It is also related to or classified as stilbenol  .
The molecule c1ccc2cc3cc4cc5cc6ccccc6cc5cc4cc3cc2c1 c1ccc2cc3cc4cc5cc6ccccc6cc5cc4cc3cc2c1 is an acene that consists of six ortho-fused benzene rings in a rectilinear arrangement. It is also related to or classified as acene  . It is also related to or classified as hexacenes .
The molecule O(C1[C@@H](O)[C@H](O)C(O[C@H]1OC2=CC=C([C@H]3OC4=C(C(=O)C3)C=CC(O[C@@H]5OC([C@@H](O)[C@H](O)C5O)CO)=C4)C=C2)CO)[C@@H]6OCC(O)([C@@H]6O)CO O(C1[C@@H](O)[C@H](O)C(O[C@H]1OC2=CC=C([C@H]3OC4=C(C(=O)C3)C=CC(O[C@@H]5OC([C@@H](O)[C@H](O)C5O)CO)=C4)C=C2)CO)[C@@H]6OCC(O)([C@@H]6O)CO is Liquiritigenin 7-glucoside-4'-apiosyl-(1->2)-glucoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule N[C@@H](CSC1=CC(=O)C(=O)c2[nH]cc(C[C@H](N)C(O)=O)c12)C(O)=O N[C@@H](CSC1=CC(=O)C(=O)c2[nH]cc(C[C@H](N)C(O)=O)c12)C(O)=O is an L-tryptophan derivative that is L-tryptophan-6,7-dione in which a cysteine unit is attached at position 4 via its side-chain thiol group. It is also related to or classified as orthoquinones , L-cysteine thioether , L-tryptophan derivative .
The molecule CCCCCCCCCCCCCCCCCCCCCCCCC([O-])=O CCCCCCCCCCCCCCCCCCCCCCCCC([O-])=O is A straight-chain saturated fatty acid anion that is the conjugate base of pentacosanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as very long-chain fatty acid anion  . It is also related to or classified as straight-chain saturated fatty acid anion .
The molecule O[C@H]1Cc2c(O)cc(O)c([C@H]3[C@H](O)[C@H](Oc4cc(O)cc(O)c34)c3ccc(O)cc3)c2O[C@@H]1c1ccc(O)cc1 O[C@H]1Cc2c(O)cc(O)c([C@H]3[C@H](O)[C@H](Oc4cc(O)cc(O)c34)c3ccc(O)cc3)c2O[C@@H]1c1ccc(O)cc1 is A biflavonoid consisting of two molecules of afzelechin joined by a (4alpha->8) linkage. It has the role of plant metabolite . Its functional parent is afzelechin . It is also related to or classified as proanthocyanidin , biflavonoid .
The molecule CC(=O)NCCCCC([O-])=O CC(=O)NCCCCC([O-])=O is A 2-oxo monocarboxylic acid anion that is the conjugate base of 6-acetamido-2-oxopentanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as 2-oxo monocarboxylic acid anion  .
The molecule OP([O-])(=O)C[C@@H](CN(C(C)=O)O)O OP([O-])(=O)C[C@@H](CN(C(C)=O)O)O is major species at pH 7.3. It is also related to or classified as organophosphate oxoanion .
The molecule CCCCCCCCS(O)(=O)=O CCCCCCCCS(O)(=O)=O is octane-1-sulfonic acid. It has the role of local anaesthetic . It is also related to or classified as organosulfonic acid  .
The molecule O1[C@@H]([C@H]1C#CC#CCCC(OC)=O)CCC\C=C/C=C\CC O1[C@@H]([C@H]1C#CC#CCCC(OC)=O)CCC\C=C/C=C\CC is methyl 8R,9R-epoxy-13Z,15Z-eicosadien-4,6-diynoate. It is also related to or classified as fatty acid methyl ester  .
The molecule COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12 COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12 is A sulfonamide that is N-phenylmethanesulfonamide substituted by a methoxy group at position 3 and an acridin-9-ylamino group at position 4. It exhibits  antineoplastic activity. It has the role of antineoplastic agent . It has the role of EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor .  It is also related to or classified as sulfonamide  . It is also related to or classified as acridines , aromatic ether .
The molecule N1=C(C2=NC=CC(=C2)C)C=C(C=C1)N=CC(=C(N)C)C N1=C(C2=NC=CC(=C2)C)C=C(C=C1)N=CC(=C(N)C)C is A member of the class of bipyridines that is 2,2'-bipyridine in which the hydrogens situated para to the ring nitrogens have been replaced by methyl and 3-amino-2-methylbut-2-en-1-imino groups. It is also related to or classified as imine  . It is also related to or classified as enamine  . It is also related to or classified as bipyridines .
The molecule CCOCCC1(Oc2ccc(Oc3ccc(F)cc3)cc2)C(=O)NC(=O)NC1=O CCOCCC1(Oc2ccc(Oc3ccc(F)cc3)cc2)C(=O)NC(=O)NC1=O is A member of the class of barbiturates that is barbituric acid in which the hydrogens at position 5 are replaced by 2-ethoxyethyl and 4-(4-fluorophenoxy)phenoxy groups. It is a potent and selective inhibitor of matrix MMP-13 (metalloproteinase-13, collagenase 3). It has the role of matrix metalloproteinase inhibitor . It is also related to or classified as barbiturates  .
The molecule OC1CCOP(=O)(N1)N(CCCl)CCCl OC1CCOP(=O)(N1)N(CCCl)CCCl is A phosphorodiamide that consists of 2-amino-1,3,2-oxazaphosphinan-4-ol 2-oxide having two 2-chloroethyl groups attached to the exocyclic nitrogen. It has the role of alkylating agent . It has the role of metabolite .  It is also related to or classified as organochlorine compound  . It is also related to or classified as phosphorodiamide , nitrogen mustard .
The molecule NC(=O)NS(=O)(=O)NC(N)=O NC(=O)NS(=O)(=O)NC(N)=O is N,N''-sulfonyldiurea. It has the role of EC 2.2.1.6 (acetolactate synthase) inhibitor . It is also related to or classified as sulfuric amide , ureas .
The molecule N1=C(C2=NC=CC(=C2)C)C=C(C=C1)C(O)=O N1=C(C2=NC=CC(=C2)C)C=C(C=C1)C(O)=O is A member of the class of bipyridines that is 2,2'-bipyridine in which the hydrogens situated para to the ring nitrogens have been replaced by methyl and carboxy groups. It is also related to or classified as monocarboxylic acid , aromatic carboxylic acid , bipyridines .
The molecule OS(=O)(=O)Oc1ccc2ccc3ccccc3c2c1 OS(=O)(=O)Oc1ccc2ccc3ccccc3c2c1 is 3-phenanthryl hydrogen sulfate. It is a conjugate acid of 3-phenanthryl sulfate . It is also related to or classified as phenanthryl hydrogen sulfate .
The molecule OC1(C2C(CC1O)C(=COC2OC3OC(C(O)C(O)C3O)COC(=O)/C=C/C4=CC(O)=C(O)C=C4)C(O)=O)C OC1(C2C(CC1O)C(=COC2OC3OC(C(O)C(O)C3O)COC(=O)/C=C/C4=CC(O)=C(O)C=C4)C(O)=O)C is Lippioside II. It is also related to or classified as glycoside  . It is also related to or classified as iridoid monoterpenoid .
The molecule OC(=O)C(\Cl)=C(Cl)/C(Cl)=C(/Cl)C(O)=O OC(=O)C(\Cl)=C(Cl)/C(Cl)=C(/Cl)C(O)=O is tetrachloro-cis,cis-muconic acid. Its functional parent is cis,cis-muconic acid . It is a conjugate acid of tetrachloro-cis,cis-muconate(2-) . It is also related to or classified as tetrachloromuconic acid  .
The molecule N1=C(C2=NC=CC(=C2)C)C=C(C=C1)C([H])=O N1=C(C2=NC=CC(=C2)C)C=C(C=C1)C([H])=O is A member of the class of bipyridines that is 2,2'-bipyridine in which the hydrogens situated para to the ring nitrogens have been replaced by methyl and formyl groups. It is also related to or classified as arenecarbaldehyde  . It is also related to or classified as bipyridines .
The molecule C[C@H]([NH3+])[C@@H]1CC[C@@H]([NH3+])[C@@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3OC[C@@](O)(C)[C@H]([NH2+]C)[C@H]3O)[C@H]2O)O1 C[C@H]([NH3+])[C@@H]1CC[C@@H]([NH3+])[C@@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3OC[C@@](O)(C)[C@H]([NH2+]C)[C@H]3O)[C@H]2O)O1 is major microspecies at pH 7.3. It is a conjugate acid of Gentamicin C2a . It is also related to or classified as gentamycin C .
The molecule OC(=O)CC#CCCCCC#CCCCCC#CCCCCCC OC(=O)CC#CCCCCC#CCCCCC#CCCCCCC is 3,9,15-Docosatriynoic acid. It is also related to or classified as very long-chain fatty acid  .
The molecule c1ccc2cc3cc4cc5cc6cc7ccccc7cc6cc5cc4cc3cc2c1 c1ccc2cc3cc4cc5cc6cc7ccccc7cc6cc5cc4cc3cc2c1 is an acene that consists of seven ortho-fused benzene rings in a rectilinear arrangement. It is also related to or classified as acene  . It is also related to or classified as heptacenes .
The molecule OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC is Octatriacontanoic acid. It is also related to or classified as very long-chain fatty acid  .
The molecule [H][C@@]12C[C@H](O)C(=O)C(C)(C)C1=CC[C@@]1([H])[C@]3(C)C[C@@H](O)[C@]([H])([C@@](C)(O)C(=O)\C=C\C(C)(C)OC(C)=O)[C@@]3(C)CC(=O)[C@@]21C [H][C@@]12C[C@H](O)C(=O)C(C)(C)C1=CC[C@@]1([H])[C@]3(C)C[C@@H](O)[C@]([H])([C@@](C)(O)C(=O)\C=C\C(C)(C)OC(C)=O)[C@@]3(C)CC(=O)[C@@]21C is A cucurbitacin in which a lanostane skeleton is multi-substituted with hydroxy, methyl and oxo substituents, with unsaturation at positions 5 and 23; a hydroxy function at C-25 is acetylated. It is also related to or classified as tertiary alpha-hydroxy ketone  .  It is also related to or classified as secondary alpha-hydroxy ketone  . It is also related to or classified as cucurbitacin .
The molecule [O-]C(=O)C1=CC=CC(=C1O)C [O-]C(=O)C1=CC=CC(=C1O)C is 3-methylsalicylate. Its functional parent is salicylate . It is also related to or classified as monohydroxybenzoate .
The molecule OS(=O)(=O)c1ccccc1.CCOC(=O)C1=C(COCCN)NC(C)=C(C1c1ccccc1Cl)C(=O)OC OS(=O)(=O)c1ccccc1.CCOC(=O)C1=C(COCCN)NC(C)=C(C1c1ccccc1Cl)C(=O)OC is the benzenesulfonate salt of amlodipine. It has the role of vasodilator agent . It has the role of antihypertensive agent . It has the role of calcium channel blocker . It is also related to or classified as organosulfonate salt .
The molecule [H]OS(=O)(=O)O[H] [H]OS(=O)(=O)O[H] is A sulfur oxoacid that consists of two oxo and two hydroxy groups joined covalently to a central sulfur atom. It has the role of catalyst . It is a conjugate acid of hydrogensulfate . It is also related to or classified as sulfur oxoacid .
The molecule OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC is Hexatriacontylic acid. It is also related to or classified as very long-chain fatty acid  .
The molecule CCCCCCCCCCCCCCCC1=CC=CC(O)=C1C(O)=O CCCCCCCCCCCCCCCC1=CC=CC(O)=C1C(O)=O is A hydroxybenzoic acid that is salicylic acid substituted by a pentadecyl group at position 6. It is a major component of cashew nut shell liquid and exhibits an extensive range of bioactivities. It has the role of EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor . It has the role of anticoronaviral agent . It has the role of antibacterial agent . It has the role of neuroprotective agent . It has the role of anti-inflammatory agent . It has the role of apoptosis inducer . It has the role of EC 2.3.1.48 (histone acetyltransferase) inhibitor . It has the role of plant metabolite . Its functional parent is salicylic acid . It is also related to or classified as hydroxybenzoic acid , hydroxy monocarboxylic acid .
The molecule C(OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)C(COC(CCCCCCC/C=C\CCCCCCCC)=O)O C(OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)C(COC(CCCCCCC/C=C\CCCCCCCC)=O)O is A 1,3-diglyceride in which the acyl groups at positions 1 and 3 are specified as oleoyl and linoleoyl respectively. Its functional parent is oleic acid . Its functional parent is linoleic acid . It is also related to or classified as 1,3-diglyceride  . It is also related to or classified as diacylglycerol 36:3  .
The molecule [Na+].[H]C12SC(C)(C)C(C(=O)[O-])N2C(=O)C1NC(=O)C(N)C3=CC=C(O)C=C3 [Na+].[H]C12SC(C)(C)C(C(=O)[O-])N2C(=O)C1NC(=O)C(N)C3=CC=C(O)C=C3 is an  organic sodium salt that is the monosodium salt of amoxicillin. It is also related to or classified as organic sodium salt .
The molecule O=[Tc]=O O=[Tc]=O is A metal oxide with formula TcO2. It is also related to or classified as metal oxide , technetium molecular entity .
The molecule Cn1c(N)nc(=O)c2[nH]cnc12 Cn1c(N)nc(=O)c2[nH]cnc12 is A 3-methylguanine that is 3,7-dihydro-6H-purin-6-one substituted by an amino group at position 2 and a methyl group at position 3. It is also related to or classified as 3-methylguanine  .
The molecule OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC is Psyllic acid. It is also related to or classified as very long-chain fatty acid  .
The molecule [H][C@]12O[C@@H](SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)[C@H](O)[C@@]1([H])c1c(O2)cc(OC)c2c3CCC(=O)c3c(=O)oc12 [H][C@]12O[C@@H](SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)[C@H](O)[C@@]1([H])c1c(O2)cc(OC)c2c3CCC(=O)c3c(=O)oc12 is A member of the class of aflatoxins that is 8,9-dihydro-9-hydroxyaflatoxin B1 having an S-glutathionyl moiety attached at position 8. It has the role of xenobiotic metabolite . It is also related to or classified as organic sulfide  . It is also related to or classified as aflatoxin , glutathione conjugate , aromatic ether .
The molecule O=C(O)[C@@H](NC(CC1=CNC2=CC=CC=C12)=O)CC(=O)O O=C(O)[C@@H](NC(CC1=CNC2=CC=CC=C12)=O)CC(=O)O is an N-acyl-L-aspartic acid in which the acyl group is specified as indole-3-acetyl. It has the role of plant metabolite . Its functional parent is indole-3-acetic acid . It is a conjugate acid of N-(indole-3-acetyl)-L-aspartate(2-) . It is also related to or classified as N-acyl-L-aspartic acid  . It is also related to or classified as indole-L-aspartic acid conjugate , indoleacetic acid amide conjugate .
The molecule OC(=O)C(=O)CCc1c(O)cc([nH]c1=O)C(O)=O OC(=O)C(=O)CCc1c(O)cc([nH]c1=O)C(O)=O is A  pyridone that is 4-hydroxy-6-oxo-1,6-dihydropyridine-2-carboxylic acid substituted by a 3-carboxy-3-oxopropyl group at position 5. It is a conjugate acid of 5-(3'-carboxy-3'-oxopropyl)-4,6-dihydroxypicolinate . It is also related to or classified as oxo dicarboxylic acid , monohydroxypyridine , pyridone .
The molecule COC1=C(OC)C(=O)C(CC=C(C)C)=C(C)C1=O COC1=C(OC)C(=O)C(CC=C(C)C)=C(C)C1=O is A compound composed of the standard 2,3-dimethoxy-5-methylbenzoquinone nucleus common to ubiquinones; and a side chain of a single isoprenoid unit. It is also related to or classified as ubiquinones  .
The molecule [H][Bi-]([H])[H] [H][Bi-]([H])[H] is trihydridobismuthate(.1-). It is also related to or classified as inorganic radical anion , bismuth hydride .
The molecule OC(=O)C(=O)\C=C\c1c(O)cc([nH]c1=O)C([O-])=O OC(=O)C(=O)\C=C\c1c(O)cc([nH]c1=O)C([O-])=O is an  oxo carboxylic acid anion that is the conjugate base of 5-(3-carboxy-3-oxoprop-1-en-1-yl)-4-hydroxy-6-oxo-1,6-dihydropyridine-2-carboxylic acid. It is also related to or classified as oxo carboxylic acid anion .
The molecule COc1ccc(cc1)-c1coc2cc(O)c(OC)cc2c1=O COc1ccc(cc1)-c1coc2cc(O)c(OC)cc2c1=O is A  4'-methoxyisoflavone that is isoflavone substituted by methoxy groups at positions 6 and 4' and a hydroxy group at position 7. It has the role of plant metabolite . Its functional parent is isoflavone . It is also related to or classified as 4'-methoxyisoflavones  . It is also related to or classified as 7-hydroxyisoflavones  .
The molecule O=C([O-])[C@@H](NC(CC1=CNC2=CC=CC=C12)=O)CC(=O)[O-] O=C([O-])[C@@H](NC(CC1=CNC2=CC=CC=C12)=O)CC(=O)[O-] is an N-acyl-L-aspartate(2-) obtained by deprotonation of the carboxy groups of N-(indole-3-acetyl)-L-aspartic acid. It has the role of plant metabolite . It is also related to or classified as N-acyl-L-aspartate(2-)  .
The molecule Oc1cc([nH]c(=O)c1CCC=O)C([O-])=O Oc1cc([nH]c(=O)c1CCC=O)C([O-])=O is A pyridinemonocarboxylate that is the conjugate base of 5-(2'-formylethyl)-4,6-dihydroxypicolinic acid. It is also related to or classified as pyridinemonocarboxylate .
The molecule OC(=O)CCCCCCCCCCC#CC#CCCCCCCCCCCCC OC(=O)CCCCCCCCCCC#CC#CCCCCCCCCCCCC is 12,14-Heptacosadiynoic acid. It is also related to or classified as very long-chain fatty acid  .
The molecule [C@@]12([C@@]3([C@@](C[C@@H](C1)O)([C@@]4(CC[C@@]5(C[C@@]4([C@H]3C(=O)O)CC5=C)O)[H])COC2=O)[H])C [C@@]12([C@@]3([C@@](C[C@@H](C1)O)([C@@]4(CC[C@@]5(C[C@@]4([C@H]3C(=O)O)CC5=C)O)[H])COC2=O)[H])C is A C20-gibberellin that is tha lactone form of gibberellin A15 carrying two additional hydroxy substituents at positions 3 and 7. It has the role of plant metabolite . Its functional parent is gibberellin A15 (lactone form) .  It is also related to or classified as lactone  . It is also related to or classified as C20-gibberellin , dihydroxy monocarboxylic acid , gibberellin monocarboxylic acid , olefinic compound .
The molecule CC(=C)C(CCCC(O)=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CC(=C)C(CCCC(O)=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 is an acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3-isopropenylpimelic acid. Its functional parent is coenzyme A . It is also related to or classified as acyl-CoA  .
The molecule OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC is Hexatetracontanoic acid. It is also related to or classified as very long-chain fatty acid  .
The molecule [Cl-].CCN(CC)c1ccc2nc3ccc(cc3[n+](-c3ccccc3)c2c1)\N=N\c1ccc(cc1)N(C)C [Cl-].CCN(CC)c1ccc2nc3ccc(cc3[n+](-c3ccccc3)c2c1)\N=N\c1ccc(cc1)N(C)C is Janus Green B chloride. It has the role of dye . It is also related to or classified as organic chloride salt .
The molecule SC#N SC#N is A hydracid that is cyanic acid in which the oxygen is replaced by a sulfur atom. It has the role of Escherichia coli metabolite . It is a conjugate acid of thiocyanate .  It is also related to or classified as hydracid  . It is also related to or classified as organosulfur compound , one-carbon compound .
The molecule CC(NC(C)C(O)=O)C(O)=O CC(NC(C)C(O)=O)C(O)=O is an amino dicarboxylic acid that is 2,2'-iminodiacetic acid substituted by methyl groups at positions 2 and 2'. Its functional parent is propionic acid . It is a conjugate acid of 2,2'-iminodipropanoate . It is a conjugate acid of 2,2'-iminodipropanoate(1-) . It is also related to or classified as amino dicarboxylic acid , amino acid opine .
The molecule CCCC#CC1=CC=C(C=C1)[C@H]2[C@@H]3CN(CC(=O)N3[C@@H]2CO)C(=O)CN4CCOCC4 CCCC#CC1=CC=C(C=C1)[C@H]2[C@@H]3CN(CC(=O)N3[C@@H]2CO)C(=O)CN4CCOCC4 is (6R,7S,8S)-8-(hydroxymethyl)-4-[2-(4-morpholinyl)-1-oxoethyl]-7-(4-pent-1-ynylphenyl)-1,4-diazabicyclo[4.2.0]octan-2-one. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)([O-])[O-])O is an acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (12Z,15Z,18Z,21Z,24Z)-triacontapentaenoyl-CoA; major species at pH 7.3. It is a conjugate base of a (12Z,15Z,18Z,21Z,24Z)-triacontapentaenoyl-CoA.
The molecule O=C(OC)CCCCCCCCCCC/C=C\CCCCCCCC O=C(OC)CCCCCCCCCCC/C=C\CCCCCCCC is methyl erucate. It is also related to or classified as fatty acid methyl ester  .
The molecule C(CCCO)C/C=C\C/C=C\C/C=C\C/C=C\CCCC(NCCO)=O C(CCCO)C/C=C\C/C=C\C/C=C\C/C=C\CCCC(NCCO)=O is an N-(polyunsaturated fatty acyl)ethanolamine that is anandamide in which one of the methyl hydrogens at position 20 has been replaced by a hydroxy group. It has the role of human xenobiotic metabolite . Its functional parent is anandamide . Its functional parent is 20-HETE . It is also related to or classified as N-(long-chain-acyl)ethanolamine  . It is also related to or classified as oxidized N-(fatty acyl)-ethanolamine  .  It is also related to or classified as N-(polyunsaturated fatty acyl)ethanolamine  . It is also related to or classified as endocannabinoid .
The molecule O([C@H]1[C@H](O)[C@@H](NC(=O)C)[C@H](O[C@@H]1CO[C@@H]2O[C@H]([C@@H](O)[C@@H](O)[C@@H]2O)C)O)[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3NC(=O)C)CO O([C@H]1[C@H](O)[C@@H](NC(=O)C)[C@H](O[C@@H]1CO[C@@H]2O[C@H]([C@@H](O)[C@@H](O)[C@@H]2O)C)O)[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3NC(=O)C)CO is an amino trisaccharide that is 2-acetamido-2-deoxy-alpha-D-glucopyranose in which the hydroxy groups at positions 4 and 6 have been converted into the corresponding 2-acetamido-2-deoxy-beta-D-glucopyranosyl and alpha-L-fucopyranosyl derivatives, respectively. Its functional parent is N-acetyl-beta-D-glucosaminyl-(1->4)-N-acetyl-alpha-D-glucosamine . It is also related to or classified as acetamides , glucosamine oligosaccharide , amino trisaccharide .
The molecule CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)([O-])[O-])[C@H](C(=O)NCCC(=O)NCCSC(=O)CC(C(=O)[O-])O)O is an omega-carboxyacyl-CoA(5-) obtained by deprotonation of the phosphate, diphosphate and carboxy groups of any 3-carboxy-3-hydroxypropanoyl-CoA; major species at pH 7.3. It is an omega-carboxyacyl-CoA(5-) and a monocarboxylic acid anion. It is a conjugate base of a 3-carboxy-3-hydroxypropanoyl-CoA.
The molecule CC(C)NCCN(C=1C=CC2=C(C1)N=C(C=N2)C=3C=NN(C)C3)C4=CC(=CC(=C4)OC)OC CC(C)NCCN(C=1C=CC2=C(C1)N=C(C=N2)C=3C=NN(C)C3)C4=CC(=CC(=C4)OC)OC is erdafitinib is a Kinase Inhibitor. The mechanism of action of erdafitinib is as a Fibroblast Growth Factor Receptor Inhibitor, and Cytochrome P450 3A4 Inhibitor, and Cytochrome P450 3A4 Inducer, and P-Glycoprotein Inhibitor, and Organic Cation Transporter 2 Inhibitor. It is also related to or classified as organic molecular entity .
The molecule P(OP(OP(OC[C@H]1O[C@@H](N2C=3N=CN=C(N)C3N=C2)[C@@H]([C@@H]1O)OP(=O)(OC[C@H]4O[C@H]([C@@H]([C@@H]4O)O)N5C=6N=CN=C(N)C6N=C5)[O-])(=O)[O-])(=O)[O-])(=O)([O-])[O-] P(OP(OP(OC[C@H]1O[C@@H](N2C=3N=CN=C(N)C3N=C2)[C@@H]([C@@H]1O)OP(=O)(OC[C@H]4O[C@H]([C@@H]([C@@H]4O)O)N5C=6N=CN=C(N)C6N=C5)[O-])(=O)[O-])(=O)[O-])(=O)([O-])[O-] is an organophosphate oxoanion obtained by deprotonation of the phosphate and triphosphate OH groups of 5'-triphosphoadenylyl-(2'->5')-adenosine. Major microspecies at pH 7.3. It is also related to or classified as organophosphate oxoanion .
The molecule CCCS CCCS is an alkanethiol that is propane substituted by a thiol group at position 1. It has the role of plant metabolite . It is also related to or classified as alkanethiol  .
The molecule CNCCOP(O)(O)=O CNCCOP(O)(O)=O is the O-phospho derivative of N-methylethanolamine. Its functional parent is N-methylethanolamine . It is a conjugate acid of N-methylethanolaminium phosphate(1-) . It is also related to or classified as phosphoethanolamine .
The molecule C1=CC(=C(C=C1[C@@H]2[C@H](C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O is a taxifolin that has (2R,3R)-configuration. It has a role as a metabolite. It is a conjugate acid of a (+)-taxifolin(1-). It is an enantiomer of a (-)-taxifolin.
The molecule O=C(OC)CCCCCCCCCCCCCCCCCCCCC O=C(OC)CCCCCCCCCCCCCCCCCCCCC is methyl behenate. It is also related to or classified as fatty acid methyl ester  .
The molecule C(CCC)CC1C(C/C=C\C/C=C\C/C=C\CCCC(NCCO)=O)O1 C(CCC)CC1C(C/C=C\C/C=C\C/C=C\CCCC(NCCO)=O)O1 is an N-(polyunsaturated fatty acyl)ethanolamine obtained by formal epoxidation across the 14,15-double bond of anandamide. It has the role of human xenobiotic metabolite . Its functional parent is anandamide . Its functional parent is 14,15-EET . It is also related to or classified as N-(long-chain-acyl)ethanolamine  . It is also related to or classified as oxidized N-(fatty acyl)-ethanolamine  . It is also related to or classified as epoxide  .  It is also related to or classified as N-(polyunsaturated fatty acyl)ethanolamine  . It is also related to or classified as endocannabinoid .
The molecule CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)N CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)N is 4-amino-N-(4-ethoxyphenyl)benzenesulfonamide.  It is also related to or classified as sulfonamide  . It is also related to or classified as benzenes .
The molecule C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COP(=O)([O-])[O-])O)O)O)O is an organophosphate oxoanion arising from deprotonation of the phosphate OH groups of 6-phospho-beta-D-glucosyl-(1->4)-D-glucose; major species at pH 7.3. It is a conjugate base of a 6-phospho-beta-D-glucosyl-(1->4)-D-glucose.