anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C(\CC(/C=C/C=C\C/C=C\CCCCCO)O)=C\CCCC(O)=O C(\CC(/C=C/C=C\C/C=C\CCCCCO)O)=C\CCCC(O)=O is A DiHETE that is 8-HETE carrying an additional hydroxy substituent at position 20. It has the role of human xenobiotic metabolite . Its functional parent is 8-HETE . It is a conjugate acid of 8,20-DiHETE(1-) . It is also related to or classified as omega-hydroxy-long-chain fatty acid  . It is also related to or classified as dihydroxyicosatetraenoic acid .
The molecule O([C@H]1C[C@]2([C@@H]3O[C@@H]3[C@](C1)([H])[N+]2(C)C)[H])C(C(C4=CC=CS4)(C=5SC=CC5)O)=O O([C@H]1C[C@]2([C@@H]3O[C@@H]3[C@](C1)([H])[N+]2(C)C)[H])C(C(C4=CC=CS4)(C=5SC=CC5)O)=O is A quaternary ammonium ion obtained by methylation of the tertiary amino group of (1alpha,2beta,4beta,5alpha,7beta)-7-[(hydroxydi-2-thienylacetyl)oxy]-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.0(2,4)]nonane. Used (in the form of the bromide hydrate) for maintenance treatment of airflow obstruction in patients with chronic obstructive pulmonary disease. It has the role of bronchodilator agent . It has the role of muscarinic antagonist . It is also related to or classified as quaternary ammonium ion  .
The molecule C(=O)(O)CCCC(\C=C\C=C/C/C=C\C/C=C\CCCCCO)O C(=O)(O)CCCC(\C=C\C=C/C/C=C\C/C=C\CCCCCO)O is A DiHETE that is 5-HETE carrying an additional hydroxy substituent at position 20. It has the role of human xenobiotic metabolite . Its functional parent is 5-HETE . It is a conjugate acid of 5,20-DiHETE(1-) . It is also related to or classified as omega-hydroxy-long-chain fatty acid  . It is also related to or classified as dihydroxyicosatetraenoic acid .
The molecule C([C@H](/C=C/C=C/C=C/[C@H](CCCC(O)=O)O)O)/C=C\CCCCCO C([C@H](/C=C/C=C/C=C/[C@H](CCCC(O)=O)O)O)/C=C\CCCCCO is A member of the class of leukotrienes that is 6-trans-leukotriene B4 bearing an additional hydroxy substituent at position 20. Its functional parent is 6-trans-leukotriene B4 . It is a conjugate acid of 20-hydroxy-6-trans-leukotriene B4(1-) .  It is also related to or classified as omega-hydroxy-long-chain fatty acid  . It is also related to or classified as leukotriene  . It is also related to or classified as hydroxy polyunsaturated fatty acid .
The molecule C1[C@]2([C@](/C(=C/C=C/3\C(CC[C@@H](C3)O)=C)/CC1)(CC[C@@]2([C@H](C)C[C@@H](C(C(C)(C)O)=O)O)[H])[H])C C1[C@]2([C@](/C(=C/C=C/3\C(CC[C@@H](C3)O)=C)/CC1)(CC[C@@]2([C@H](C)C[C@@H](C(C(C)(C)O)=O)O)[H])[H])C is A hydroxycalciol that is 25-hydroxyvitamin D3 carrying an additional hydroxy group at position 23 (with 23S-configuration) and an oxo group at position 24. An intermediate in the degradation pathway of 25-OH-vitamin D3. It has the role of human metabolite . 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 hydroxycalciol  . It is also related to or classified as oxocalciol  . It is also related to or classified as triol , D3 vitamins .
The molecule C(CCC(O)=O)CCC\C=C/C=C/[C@H](C/C=C\CCCCC)O C(CCC(O)=O)CCC\C=C/C=C/[C@H](C/C=C\CCCCC)O is A HETrE that is (8Z,10E,14Z)-icosatrienoic acid in which the hydroxy group is located at the 12(S)-posiiton. It has the role of human xenobiotic metabolite . Its functional parent is all-cis-icosa-8,11,14-trienoic acid . It is a conjugate acid of 12(S)-HETrE(1-) . It is also related to or classified as HETrE .
The molecule C1[C@]2([C@](/C(=C/C=C/3\C(CC[C@@H](C3)O)=C)/CC1)(CC[C@@]2([C@](C)(CCCC(C)(C)O)O)[H])[H])C C1[C@]2([C@](/C(=C/C=C/3\C(CC[C@@H](C3)O)=C)/CC1)(CC[C@@]2([C@](C)(CCCC(C)(C)O)O)[H])[H])C is A hydroxycalciol that consists of vitamin D3 (calciol) carrying additional hydroxy groups  at positions 20 (with S-configuration) and 25. It has the role of human metabolite .  It is also related to or classified as hydroxycalciol  . It is also related to or classified as triol , D3 vitamins .
The molecule C1[C@]2([C@](/C(=C/C=C/3\C(CC[C@@H](C3)O)=C)/CC1)(CC[C@@]2([C@](C)(CC[C@H](C(C)C)O)O)[H])[H])C C1[C@]2([C@](/C(=C/C=C/3\C(CC[C@@H](C3)O)=C)/CC1)(CC[C@@]2([C@](C)(CC[C@H](C(C)C)O)O)[H])[H])C is A hydroxycalciol that consists of vitamin D3 (calciol) carrying additional hydroxy groups at positions 20 (with S-configuration) and 24 (with R-configuration). It has the role of human metabolite .  It is also related to or classified as hydroxycalciol  . It is also related to or classified as triol , D3 vitamins .
The molecule C12C(C=3C=CC(=C(C3O1)OC)OC)COC4=C2C=CC(=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O C12C(C=3C=CC(=C(C3O1)OC)OC)COC4=C2C=CC(=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O is A member of the class of pterocarpans that is 3-hydroxy-9,10-dimethoxypterocarpan in which the phenol hydrogen is replaced by a beta-D-glucosyl residue. It has the role of plant metabolite . It is also related to or classified as beta-D-glucoside  . It is also related to or classified as pterocarpans  . It is also related to or classified as aromatic ether , monosaccharide derivative .
The molecule C(=C\C/C=C\C=C\[C@H](C/C=C\C/C=C\CC)OO)\CCCC(O)=O C(=C\C/C=C\C=C\[C@H](C/C=C\C/C=C\CC)OO)\CCCC(O)=O is A 12-HPEPE in which the hydroperoxy group at positions 12 has S-configuration. It has the role of human xenobiotic metabolite . It is a conjugate acid of 12(S)-HpEPE(1-) . It is also related to or classified as 12-HPEPE  .
The molecule C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3([C@@H](C[C@@]2(C[C@@H](C1)O)[H])O)[H])(CC[C@@]4([C@@H](CCCS([O-])(=O)=O)C)[H])[H])C)[H])C.[Na+] C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3([C@@H](C[C@@]2(C[C@@H](C1)O)[H])O)[H])(CC[C@@]4([C@@H](CCCS([O-])(=O)=O)C)[H])[H])C)[H])C.[Na+] is an organic sodium salt having 3alpha,7alpha-dihydroxy-5beta-cholane-24-sulfonate as the counterion. It is also related to or classified as organic sodium salt , organosulfonate salt .
The molecule C(\C([O-])=O)=C\C(=C(\Cl)/C(=O)[O-])\Cl C(\C([O-])=O)=C\C(=C(\Cl)/C(=O)[O-])\Cl is A 2,3-dichloromuconate(2-) obtained by deprotonation of the carboxy groups of (2Z,4Z)-2,3-dichloromuconic acid. Major species at pH 7.3. It is also related to or classified as 2,3-dichloromuconate(2-)  .
The molecule C1(=C(C=CC(=C1)C=2C=CC(=C(C2)N)N)N)N C1(=C(C=CC(=C1)C=2C=CC(=C(C2)N)N)N)N is A member of the class of biphenyls that is benzidine in which one of the hydrogens ortho to each of the amino groups has been replaced by an amino group. It has the role of histological dye . It is also related to or classified as biphenyls , substituted aniline .
The molecule C(C)CSO C(C)CSO is an S-alkylsulfenic acid that is sulfenic acid in which the thiol hydrogen is replaced by a propyl group. It has the role of plant metabolite . It is also related to or classified as S-alkylsulfenic acid  .
The molecule C1[C@]2([C@](/C(=C/C=C/3\C[C@H]([C@@H]([C@@H](C3)O)CCCO)O)/CC1)(CC[C@@]2([C@H](C)CCCC(C)(C)O)[H])[H])C C1[C@]2([C@](/C(=C/C=C/3\C[C@H]([C@@H]([C@@H](C3)O)CCCO)O)/CC1)(CC[C@@]2([C@H](C)CCCC(C)(C)O)[H])[H])C is A vitamin D that is 19-norcalcitriol carrying an additional 3-hydroxypropyl substituent at position 2. A synthetic analogue of vitamin D, it exhibits anticancer properties. It has the role of antineoplastic agent . It has the role of angiogenesis modulating agent . It is also related to or classified as vitamin D , tetrol , seco-cholestane , olefinic compound .
The molecule ClC=1C=C(NC(=O)C(SC2=CC=C(NC(=O)C(NC(=O)C3=CC=CC=C3)=CC4=CC=CC=C4)C=C2)C)C(OC)=CC1OC ClC=1C=C(NC(=O)C(SC2=CC=C(NC(=O)C(NC(=O)C3=CC=CC=C3)=CC4=CC=CC=C4)C=C2)C)C(OC)=CC1OC is A member of the class of enamides obtained by formal condensation of the carboxy group of 2-benzamido-3-phenylprop-2-enoic acid with the aromatic amino group of 2-[(4-aminophenyl)sulfanyl]propanoic acid, the carboxy group of which has also undergone formal condensation with the amino group of 5-chloro-2,4-dimethoxyaniline. It is also related to or classified as secondary carboxamide  .     It is also related to or classified as enamide  . It is also related to or classified as benzamides , aryl sulfide , substituted aniline , dimethoxybenzene , monochlorobenzenes .
The molecule C1[C@]2([C@](/C(=C/C=C/3\C(CC[C@@H](C3)O)=C)/CC1)(CC[C@@]2([C@](C)(CC[C@@H](C(C)C)O)O)[H])[H])C C1[C@]2([C@](/C(=C/C=C/3\C(CC[C@@H](C3)O)=C)/CC1)(CC[C@@]2([C@](C)(CC[C@@H](C(C)C)O)O)[H])[H])C is A hydroxycalciol that consists of vitamin D3 (calciol) carrying additional hydroxy groups at positions 20 and 24 (both with S-configuration). It has the role of human metabolite .  It is also related to or classified as hydroxycalciol  . It is also related to or classified as triol , D3 vitamins .
The molecule C(=C\C(C/C=C\CCCCCO)O)/C=C\C/C=C\CCCC(=O)O C(=C\C(C/C=C\CCCCCO)O)/C=C\C/C=C\CCCC(=O)O is A DiHETE that is 12-HETE carrying an additional hydroxy substituent at position 20. It has the role of human xenobiotic metabolite . Its functional parent is (5Z,8Z,10E,14Z)-12-hydroxyicosatetraenoic acid . It is a conjugate acid of 12,20-DiHETE(1-) . It is also related to or classified as omega-hydroxy-long-chain fatty acid  . It is also related to or classified as dihydroxyicosatetraenoic acid .
The molecule CCCS(SCCC)=O CCCS(SCCC)=O is A sulfinic acid derivative obtained by formal condensation of propanethiosulfinic acid with propanethiol. It has the role of antioxidant . It has the role of antibacterial agent . It has the role of plant metabolite . It has the role of rat metabolite . It is also related to or classified as sulfoxide  . It is also related to or classified as sulfinic acid derivative .
The molecule CC1(C)OC=2C3=CC=CC=C3C(C(C2CC1Br)=O)=O CC1(C)OC=2C3=CC=CC=C3C(C(C2CC1Br)=O)=O is A benzochromenone that is beta-lapachone in which one of the hydrogens attached to the carbon adjacent to that bearing the gem-dimethyls is replaced by a bromine.  It is also related to or classified as organobromine compound  . It is also related to or classified as orthoquinones , benzochromenone .
The molecule Cl.C=12OC(=CC(C1C(=CC(=C2[C@@H]3[C@@H](CN(CC3)C)O)O)O)=O)C4=C(C=CC=C4)Cl Cl.C=12OC(=CC(C1C(=CC(=C2[C@@H]3[C@@H](CN(CC3)C)O)O)O)=O)C4=C(C=CC=C4)Cl is A hydrochloride salt resulting from the formal reaction of equimolar amounts of alvocidib and hydrogen chloride. A cyclin-dependent kinase 9 (CDK9) inhibitor, it has been studied for the treatment of acute myeloid leukaemia, arthritis and atherosclerotic plaque formation. It has the role of antineoplastic agent . It has the role of antirheumatic drug . It has the role of apoptosis inducer . It has the role of EC 2.7.11.22 (cyclin-dependent kinase) inhibitor . It is also related to or classified as hydrochloride .
The molecule C1[C@@H](C(C)(C)[C@@]2([C@H](C[C@@]3([C@]4([C@@]2(C4)C1)CC[C@]5(C)[C@@]([C@@H](O)C[C@@]35C)([H])[C@]6(C)O[C@H](C(C)(C)O)CC6)[H])O[C@H]7[C@@H]([C@@H](O)[C@@H]([C@H](O7)CO)O)O)[H])O[C@H]8[C@@H]([C@H]([C@H](O)CO8)OC(=O)C)OC(=O)C C1[C@@H](C(C)(C)[C@@]2([C@H](C[C@@]3([C@]4([C@@]2(C4)C1)CC[C@]5(C)[C@@]([C@@H](O)C[C@@]35C)([H])[C@]6(C)O[C@H](C(C)(C)O)CC6)[H])O[C@H]7[C@@H]([C@@H](O)[C@@H]([C@H](O7)CO)O)O)[H])O[C@H]8[C@@H]([C@H]([C@H](O)CO8)OC(=O)C)OC(=O)C is A triterpenoid saponin that is cycloastragenol glycosylated at positions 3 and 6 by 2,3-di-O-acetyl-beta-D-xylosyl and beta-D-glucosyl residues respectively. It has the role of plant metabolite . Its functional parent is cycloastragenol . It is also related to or classified as beta-D-glucoside  . It is also related to or classified as pentacyclic triterpenoid , oxolanes , triterpenoid saponin , monosaccharide derivative .
The molecule C(=C\C/C=C\CCCCC)\CCCCCCCC(=O)OCCC C(=C\C/C=C\CCCCC)\CCCCCCCC(=O)OCCC is A fatty acid ester resulting from the formal condensation of the carboxy group of linoleic acid with the hydroxy group of propanol. It has the role of bacterial metabolite . Its functional parent is linoleic acid . It is also related to or classified as fatty acid ester  .
The molecule C(\C(O)=O)=C\C(=C(\Cl)/C(=O)O)\Cl C(\C(O)=O)=C\C(=C(\Cl)/C(=O)O)\Cl is A 2,3-dichloromuconic acid in which both double bonds have Z geochemistry. It has the role of bacterial metabolite . It is a conjugate acid of (2Z,4Z)-2,3-dichloromuconate(2-) . It is also related to or classified as 2,3-dichloromuconic acid  .
The molecule C1[C@@]2([C@@]([C@@]3(C(C[C@@H](OS([O-])(=O)=O)CC3)=C1)C)(CC[C@]4([C@]2(CCC4=O)[H])C)[H])[H].[Na+] C1[C@@]2([C@@]([C@@]3(C(C[C@@H](OS([O-])(=O)=O)CC3)=C1)C)(CC[C@]4([C@]2(CCC4=O)[H])C)[H])[H].[Na+] is an organic sodium salt that is the monosodium salt of dehydroepiandrosterone sulfate. It has the role of EC 2.7.1.33 (pantothenate kinase) inhibitor . It has the role of human metabolite . It is also related to or classified as organic sodium salt .
The molecule OC=1C(CC(N)C(O)=O)=CC=CC1 OC=1C(CC(N)C(O)=O)=CC=CC1 is A phenylalanine derivative that is phenylalanine carrying a hydroxy substituent at position 2 on the benzene ring.  It is also related to or classified as phenols  . It is also related to or classified as phenylalanine derivative , non-proteinogenic alpha-amino acid .
The molecule C1[C@@H](C(C)(C)[C@@]2([C@H](C[C@@]3([C@]4([C@@]2(C4)C1)CC[C@]5(C)[C@@]([C@@H](O)C[C@@]35C)([H])[C@]6(C)O[C@H](C(C)(C)O)CC6)[H])O[C@H]7[C@@H]([C@@H](O)[C@@H]([C@H](O7)CO)O)O)[H])O[C@H]8[C@@H]([C@H]([C@H](O)CO8)O)OC(=O)C C1[C@@H](C(C)(C)[C@@]2([C@H](C[C@@]3([C@]4([C@@]2(C4)C1)CC[C@]5(C)[C@@]([C@@H](O)C[C@@]35C)([H])[C@]6(C)O[C@H](C(C)(C)O)CC6)[H])O[C@H]7[C@@H]([C@@H](O)[C@@H]([C@H](O7)CO)O)O)[H])O[C@H]8[C@@H]([C@H]([C@H](O)CO8)O)OC(=O)C is A triterpenoid saponin that is cycloastragenol glycosylated at positions 3 and 6 by 2-O-acetyl-beta-D-xylosyl and beta-D-glucosyl residues respectively. It has the role of plant metabolite . Its functional parent is cycloastragenol . It is also related to or classified as beta-D-glucoside  . It is also related to or classified as pentacyclic triterpenoid , oxolanes , triterpenoid saponin , monosaccharide derivative .
The molecule C=1(/C=C/2\NC(=O)C(=C2C=C)C)NC(=C(C1C)CCC(O)=O)/C=C/3\N=C(/C=C/4\NC(C(=C4C)C=C)=O)C(=C3CCC(O)=O)C.Cl C=1(/C=C/2\NC(=O)C(=C2C=C)C)NC(=C(C1C)CCC(O)=O)/C=C/3\N=C(/C=C/4\NC(C(=C4C)C=C)=O)C(=C3CCC(O)=O)C.Cl is A hydrochloride obtained by combining biliverdin with one molar equivalent of hydrogen chloride. It has the role of mouse metabolite . It has the role of human metabolite . It is also related to or classified as hydrochloride .
The molecule C=1(C=CC=CC1N)S C=1(C=CC=CC1N)S is an aryl thiol that is thiophenol substituted at position 2 by an amino group. It has the role of plant metabolite .  It is also related to or classified as aryl thiol  . It is also related to or classified as substituted aniline .
The molecule C12=C(C=CC=C1)C=C(C=C2)OP(=O)(O)O C12=C(C=CC=C1)C=C(C=C2)OP(=O)(O)O is an aryl phosphate resulting from the formal condensation of phosphoric acid with 1 mol eq. of 2-naphthol. It is a substrate for phosphatase. It has the role of chromogenic compound . Its functional parent is 2-naphthol . It is also related to or classified as aryl phosphate .
The molecule ClC1NC(NCC1C(=O)OCC)SC ClC1NC(NCC1C(=O)OCC)SC is A pyrimidinecarboxylate ester that is the ethyl ester of 4-chloro-2-(methylsulfanyl)hexahydropyrimidine-5-carboxylic acid.  It is also related to or classified as aminal  . It is also related to or classified as aliphatic sulfide , amino-acid ester , pyrimidinecarboxylate ester .
The molecule [C@H]1([C@H](O[C@@H](OC[C@@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)NC(CCCCCCCCCCCCC)=O)[C@@H]([C@H]1O)O)CO)O[C@@H]2O[C@@H]([C@H](O)[C@@H]([C@H]2O)O)CO [C@H]1([C@H](O[C@@H](OC[C@@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)NC(CCCCCCCCCCCCC)=O)[C@@H]([C@H]1O)O)CO)O[C@@H]2O[C@@H]([C@H](O)[C@@H]([C@H]2O)O)CO is A beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphingosine in which the acyl group specified is tetradecanoyl. Its functional parent is tetradecanoic acid . It is also related to or classified as beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-N-acylsphingosine  .
The molecule C1=CC=C(C=C1)OP(=O)(OC=2C=CC(=CC2)[N+]([O-])=O)[H] C1=CC=C(C=C1)OP(=O)(OC=2C=CC(=CC2)[N+]([O-])=O)[H] is an aryl phosphate resulting from the formal condensation of phosphonic acid with 1 mol eq. each of phenol and 4-nitrophenol. It has the role of chromogenic compound . Its functional parent is phenol . Its functional parent is 4-nitrophenol . It is also related to or classified as aryl phosphonate .
The molecule C=1(CC(C(NC=2C=CC3=C(C2)C=CC=C3)=O)NC(=O)C=4C=CC=CC4)C=CC=CC1 C=1(CC(C(NC=2C=CC3=C(C2)C=CC=C3)=O)NC(=O)C=4C=CC=CC4)C=CC=CC1 is A member of the class of N-(2-naphthyl)carboxamides that is N-(naphthalen-2-yl)-3-phenylpropanamide in which one of the hydrogens at position 2 has been replaced by a benzamido group.   It is also related to or classified as N-(2-naphthyl)carboxamide  . It is also related to or classified as benzamides , phenylalanine derivative .
The molecule C=1(C[C@@H](C(NC=2C=CC3=C(C2)C=CC=C3)=O)NC(=O)C=4C=CC=CC4)C=CC=CC1 C=1(C[C@@H](C(NC=2C=CC3=C(C2)C=CC=C3)=O)NC(=O)C=4C=CC=CC4)C=CC=CC1 is an N-{1-[(naphthalen-2-yl)amino]-1-oxo-3-phenylpropan-2-yl}benzamide that is the amide obtained by formal condensation of the carboxy group of N-benzoyl-L-phenylalanine with the amino group of 2-aminonaphthalene. It has the role of chromogenic compound .  It is also related to or classified as N-{1-[(naphthalen-2-yl)amino]-1-oxo-3-phenylpropan-2-yl}benzamide  . It is also related to or classified as L-phenylalanine derivative .
The molecule C1=CC=C(C=C1)OP(=O)(O)[H] C1=CC=C(C=C1)OP(=O)(O)[H] is an aryl phosphate resulting from the formal condensation of phosphonic acid with 1 mol eq. of phenol. It has the role of chromogenic compound . Its functional parent is phenol . It is also related to or classified as aryl phosphonate .
The molecule C=1(C[C@H](C(NC=2C=CC3=C(C2)C=CC=C3)=O)NC(=O)C=4C=CC=CC4)C=CC=CC1 C=1(C[C@H](C(NC=2C=CC3=C(C2)C=CC=C3)=O)NC(=O)C=4C=CC=CC4)C=CC=CC1 is an N-{1-[(naphthalen-2-yl)amino]-1-oxo-3-phenylpropan-2-yl}benzamide that is the amide obtained by formal condensation of the carboxy group of N-benzoyl-D-phenylalanine with the amino group of 2-aminonaphthalene. It has the role of chromogenic compound .  It is also related to or classified as N-{1-[(naphthalen-2-yl)amino]-1-oxo-3-phenylpropan-2-yl}benzamide  . It is also related to or classified as D-phenylalanine derivative .
The molecule C(CC(C(NC=1C=CC2=C(C1)C=CC=C2)=O)NC(=O)C=3C=CC=CC3)CNC(=N)N C(CC(C(NC=1C=CC2=C(C1)C=CC=C2)=O)NC(=O)C=3C=CC=CC3)CNC(=N)N is A member of the class of N-(2-naphthyl)carboxamides that is 5-carbamimidamido-N-(naphthalen-2-yl)pentanamide in which one of the hydrogens at position 2 has been replaced by a benzamido group.   It is also related to or classified as N-(2-naphthyl)carboxamide  . It is also related to or classified as arginine derivative , benzamides .
The molecule C=1(C[C@@H](C(OCC)=O)NC(=O)C=2C=CC=CC2)C=CC(O)=CC1 C=1(C[C@@H](C(OCC)=O)NC(=O)C=2C=CC=CC2)C=CC(O)=CC1 is an L-tyrosine derivative that is the ethyl ester of N-benzoyltyrosine. It has the role of chromogenic compound .  It is also related to or classified as ethyl ester  .  It is also related to or classified as phenols  . It is also related to or classified as benzamides , L-tyrosine derivative .
The molecule N1=C2C(=C(N=C1)NC3=CC=CC(=C3)Br)C=C(C(=C2)OC)OC.Cl N1=C2C(=C(N=C1)NC3=CC=CC(=C3)Br)C=C(C(=C2)OC)OC.Cl is A hydrochloride obtained by combining PD-153035 with one equivalent of hydrochloric acid. It has the role of EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor . It has the role of epidermal growth factor receptor antagonist . It is also related to or classified as hydrochloride .
The molecule N1=C2C(=C(N=C1)NC3=CC=CC(=C3)Br)C=C(C(=C2)OC)OC N1=C2C(=C(N=C1)NC3=CC=CC(=C3)Br)C=C(C(=C2)OC)OC is A member of the class of quinazolines carrying a 3-bromophenylamino substituent at position 4 and two methoxy substituents at positions 6 and 7. It has the role of EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor . It has the role of epidermal growth factor receptor antagonist . It is also related to or classified as aromatic amine , aromatic ether , bromobenzenes , quinazolines , secondary amino compound .
The molecule C(C[C@H](C(NC=1C=CC2=C(C1)C=CC=C2)=O)NC(=O)C=3C=CC=CC3)CNC(=N)N C(C[C@H](C(NC=1C=CC2=C(C1)C=CC=C2)=O)NC(=O)C=3C=CC=CC3)CNC(=N)N is an N-{1-[(naphthalen-2-yl)amino]-1-oxo-3-phenylpropan-2-yl}benzamide that is the amide obtained by formal condensation of the carboxy group of N-benzoyl-D-arginine with the amino group of 2-naphthylamine. It has the role of chromogenic compound .  It is also related to or classified as N-{5-carbamimidamido-1-[(naphthalen-2-yl)amino]-1-oxopentan-2-yl}benzamide  . It is also related to or classified as D-arginine derivative .
The molecule C12(C=3C(=CC(=CC3)O)OC4=C1C=CC(=C4)O)C=5C(C(O2)=O)=CC(=CC5)N C12(C=3C(=CC(=CC3)O)OC4=C1C=CC(=C4)O)C=5C(C(O2)=O)=CC(=CC5)N is A primary amino compound that is fluorescein carrying an amino substituent at C-5. Building block/intermediate for the synthesis of the fluorescent dye flourescein; also used to produce N-(fluorescein-5-yl)maleamic acid. Its functional parent is fluorescein (lactone form) . It is also related to or classified as primary amino compound .
The molecule C=1(C(=C(C(=NC1N=NC2=CC=C(C=C2S([O-])(=O)=O)S([O-])(=O)=O)C)O)C(=O)[H])COP([O-])(=O)[O-].[Na+].[Na+].[Na+].[Na+] C=1(C(=C(C(=NC1N=NC2=CC=C(C=C2S([O-])(=O)=O)S([O-])(=O)=O)C)O)C(=O)[H])COP([O-])(=O)[O-].[Na+].[Na+].[Na+].[Na+] is an organic sodium salt that is the tetrasodium salt of 5'-phosphopyridoxal-6-azobenzene-2,4-disulfonic acid. It has the role of purinergic receptor P2X antagonist . It is also related to or classified as organic sodium salt , organosulfonate salt .
The molecule N1C(/C(/C=2C=CC=CC12)=C\C=3NC(=CC3C)C)=O N1C(/C(/C=2C=CC=CC12)=C\C=3NC(=CC3C)C)=O is an oxindole that is 3-methyleneoxindole in which one of the hydrogens of the methylene group is replaced by a 3,5-dimethylpyrrol-2-yl group. It has the role of antineoplastic agent . It has the role of angiogenesis modulating agent . It has the role of EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor . It has the role of vascular endothelial growth factor receptor antagonist . Its functional parent is 3-methyleneoxindole . It is also related to or classified as pyrroles , oxindoles , olefinic compound .
The molecule N1=C2C(=C(N=C1)[NH2+]C3=CC=CC(=C3)Br)C=C(C(=C2)OC)OC N1=C2C(=C(N=C1)[NH2+]C3=CC=CC(=C3)Br)C=C(C(=C2)OC)OC is an organic cation obtained by protonation of the secondary amino function of PD-153035. It is a conjugate acid of PD-153035 . It is also related to or classified as organic cation , ammonium ion derivative .
The molecule C(CCC[C@@H](/C=C/C=C\C/C=C\C=C\[C@@H](CCCCC)O)O)(O)=O C(CCC[C@@H](/C=C/C=C\C/C=C\C=C\[C@@H](CCCCC)O)O)(O)=O is A DiHETE that is (6E,8Z,11Z,13E)-icosatetraenoic acid in which the two hydroxy substituents are placed at the 5S- and 15R-positions. It has the role of human xenobiotic metabolite . It is a conjugate acid of 5(S),15(R)-DiHETE(1-) . It is also related to or classified as dihydroxyicosatetraenoic acid .
The molecule C([C@@H](CC)O)C/C=C\C/C=C\C/C=C\C/C=C\CCCC(O)=O C([C@@H](CC)O)C/C=C\C/C=C\C/C=C\C/C=C\CCCC(O)=O is an 18-HETE in which the 18-hydroxy group has R-configuration. It has the role of human xenobiotic metabolite . Its functional parent is arachidonic acid . It is a conjugate acid of 18(R)-HETE(1-) . It is also related to or classified as 18-HETE  .
The molecule [C@H](CCCC(O)=O)(/C=C/C=C\C[C@H](/C=C/C=C\CCCCC)O)O [C@H](CCCC(O)=O)(/C=C/C=C\C[C@H](/C=C/C=C\CCCCC)O)O is A DiHETE that is (6E,8Z,12E,14Z)-icosatetraenoic acid in which the two hydroxy substituents are placed at the 5S- and 11R-positions. It has the role of human xenobiotic metabolite . It is a conjugate acid of 5(S),11(R)-DiHETE(1-) . It is also related to or classified as dihydroxyicosatetraenoic acid .
The molecule C=12N3C(=CC4=[N+]5C(=CC=6N7C=8C(=C9[N+](=C(C1)[C@H]([C@@H]9CCC(O)=O)C)[Mg-2]735)[C@H](C(C8C6C)=O)C(=O)OC)C(=C4C)CC)C(=C2C)C(=O)C C=12N3C(=CC4=[N+]5C(=CC=6N7C=8C(=C9[N+](=C(C1)[C@H]([C@@H]9CCC(O)=O)C)[Mg-2]735)[C@H](C(C8C6C)=O)C(=O)OC)C(=C4C)CC)C(=C2C)C(=O)C is A chlorophyllide obtained by hydrolysis of the terpenoid ester moiety of 3-acetylchlorophyll a. It has the role of bacterial metabolite . It is a conjugate acid of 3-acetylchlorophyllide a(2-) . It is also related to or classified as methyl ester  . It is also related to or classified as dicarboxylic acid monoester , chlorophyllide , methyl ketone .