anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CCCCC[C@H](O)\C=C\[C@H]1[C@H]2C[C@H](OO2)[C@@H]1C\C=C/CCCC(O)=O CCCCC[C@H](O)\C=C\[C@H]1[C@H]2C[C@H](OO2)[C@@H]1C\C=C/CCCC(O)=O is prostaglandin H2. It has the role of mouse metabolite . It is a conjugate acid of prostaglandin H2(1-) . It is also related to or classified as prostaglandins H  . It is also related to or classified as secondary alcohol  . It is also related to or classified as oxylipin , olefinic compound .
The molecule CCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@@H](CCCCCCCCCCCCCCC)O is a N-acylsphinganine-1-phosphocholine in which the acyl group specified is heptadecanoyl. It has a role as a mouse metabolite. It derives from a heptadecanoic acid.
The molecule CC([O-])=O.[H][C@@]12C[C@@H](O)CN1C(=O)[C@@H](NC(=O)[C@H](C[C@@H](O)[C@H](NC(=O)[C@]1([H])[C@@H](O)[C@@H](C)CN1C(=O)[C@@H](NC(=O)[C@@H](NC2=O)[C@H](O)[C@@H](O)C1=CC=C(O)C=C1)[C@@H](C)O)OCC[N+](C)(C)C)NC(=O)C1=CC=C(C=C1)C1=CC=C(C=C1)C1=CC=C(OCCCCC)C=C1)[C@@H](C)O CC([O-])=O.[H][C@@]12C[C@@H](O)CN1C(=O)[C@@H](NC(=O)[C@H](C[C@@H](O)[C@H](NC(=O)[C@]1([H])[C@@H](O)[C@@H](C)CN1C(=O)[C@@H](NC(=O)[C@@H](NC2=O)[C@H](O)[C@@H](O)C1=CC=C(O)C=C1)[C@@H](C)O)OCC[N+](C)(C)C)NC(=O)C1=CC=C(C=C1)C1=CC=C(C=C1)C1=CC=C(OCCCCC)C=C1)[C@@H](C)O is an acetate salt obtained by combining rezafungin with one molar equivalent of acetic acid. It is an echinocandin antifungal indicated in patients 18 years of age or older who have limited or no alternative options for the treatment of candidemia and invasive candidiasis. It is also related to or classified as quaternary ammonium salt , echinocandin , acetate salt , antibiotic antifungal drug .
The molecule C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2O[C@H]3[C@@H]([C@H](OC([C@@H]3NC(=O)C)O)CO)O)CO)O)O[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O)O is a branched amino tetrasaccharide that consists of the linear trisaccharide alpha-D-galactosyl-(1->3)-beta-D-galactosyl-(1->3)-N-acetyl-D-glucosamine having an alpha-L-fucosyl residue attached at the 2-position of the central galactose. It is an amino tetrasaccharide and a glucosamine oligosaccharide.
The molecule O=C1C2=C(C3=C(NC4=C3C[C@@H]5CC[C@@]6([C@@]([C@@]45C)(CC[C@H]7[C@@]68O[C@@H]8[C@@H]9O[C@H](C=C(C)C)OC([C@H]9O7)(C)C)C)O)C=C2)C[C@H]%10[C@H]1C(OC%10(C)C)(C)C O=C1C2=C(C3=C(NC4=C3C[C@@H]5CC[C@@]6([C@@]([C@@]45C)(CC[C@H]7[C@@]68O[C@@H]8[C@@H]9O[C@H](C=C(C)C)OC([C@H]9O7)(C)C)C)O)C=C2)C[C@H]%10[C@H]1C(OC%10(C)C)(C)C is 31-epiLolitrem F. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule O1[C@@H]([C@H](O)[C@H](O)[C@@H](OCC2O[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1OC=3C(=[O+]C=4C(C3)=C(O)C=C(O)C4)C5=CC(O)=C(O)C=C5)CO[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)COC(=O)/C=C/C7=CC(O)=C(O)C=C7 O1[C@@H]([C@H](O)[C@H](O)[C@@H](OCC2O[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1OC=3C(=[O+]C=4C(C3)=C(O)C=C(O)C4)C5=CC(O)=C(O)C=C5)CO[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)COC(=O)/C=C/C7=CC(O)=C(O)C=C7 is Cyanidin 3-O-(2"-xylosyl-6"-(6"'-caffeoyl-glucosyl)-galactoside). It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule OP1(=O)O[U](=O)(=O)O1 OP1(=O)O[U](=O)(=O)O1 is uranyl hydrogenphosphate. It has the role of xenobiotic . It is also related to or classified as inorganic phosphate , uranium coordination entity .
The molecule C(N(C(=[NH2+])NC)O)CC[C@@H](C(=O)[O-])[NH3+] C(N(C(=[NH2+])NC)O)CC[C@@H](C(=O)[O-])[NH3+] is an L-arginine derivative in which the omega-nitrogen atoms carries a hydroxy group and one of the omega-nitrogen atoms carries a methyl group; major species at pH 7.3. Its functional parent is L-argininium(1+) . It is also related to or classified as non-proteinogenic L-alpha-amino acid , L-arginine derivative .
The molecule [Cl-].COc1ccc(CC[NH2+]C[C@@H](O)COc2cccc(C)c2)cc1OC [Cl-].COc1ccc(CC[NH2+]C[C@@H](O)COc2cccc(C)c2)cc1OC is the hydrochloride salt of (R)-bevantolol. It is also related to or classified as bevantolol hydrochloride  .
The molecule O=C(O)CCCC/C=C\[C@H](O)C#C[C@H](O)CCCC O=C(O)CCCC/C=C\[C@H](O)C#C[C@H](O)CCCC is Gallicynoic acid B. It is also related to or classified as long-chain fatty acid  .
The molecule CCCCCCCCCCCCCCCCC(C(=O)[O-])O is a 2-hydroxy fatty acid anion that is the conjugate base of 2-hydroxyoctadecanoic acid (stearic acid), obtained by deprotonation of the carboxy group; major species at pH 7.3. It has a role as a human metabolite. It is a long-chain fatty acid anion and a 2-hydroxy fatty acid anion 18:0. It derives from an octadecanoate. It is a conjugate base of a 2-hydroxyoctadecanoic acid.
The molecule CC(=O)c1c(O)c2C(=O)c3c(O)cc(O)cc3Cc2cc1\C=C(\O)CC(O)=O CC(=O)c1c(O)c2C(=O)c3c(O)cc(O)cc3Cc2cc1\C=C(\O)CC(O)=O is tetracenomycin F2. It is a conjugate acid of tetracenomycin F2(1-) . It is also related to or classified as tetracenomycin .
The molecule C1[C@H]([C@@H]([C@@H](C[C@]1(C(=O)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O is a cinnamate ester obtained by formal condensation of the carboxy group of trans-caffeic acid with the 5-hydroxy group of quinic acid. It has a role as a plant metabolite. It is a cyclitol carboxylic acid and a cinnamate ester. It derives from a (-)-quinic acid and a trans-caffeic acid. It is a conjugate acid of a trans-5-O-caffeoyl-D-quinate.
The molecule [H][C@@]1(O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)[C@H](NC(=O)[C@@H](N)[C@H](C)[C@H](O)c1ccc(O)cn1)C(O)=O [H][C@@]1(O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)[C@H](NC(=O)[C@@H](N)[C@H](C)[C@H](O)c1ccc(O)cn1)C(O)=O is A uridine-based nucleoside-peptide antibiotic which inhibits fungal chitin biosynthesis by inhibiting chitin synthase. It has the role of antifungal agent . Its functional parent is uridine . It is also related to or classified as nikkomycin .
The molecule CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@H]4[C@]([C@@]3(CC2)C)(CC[C@@H]5[C@@]4(C=CC(=O)C5(C)C)C)C)C is a pentacyclic triterpenoid that is lupa-1,20(29)-diene substituted by an oxo group at position 3. It has been isolated from Breynia fruticosa. It has a role as a plant metabolite. It is a pentacyclic triterpenoid and a cyclic terpene ketone. It derives from a hydride of a lupane.
The molecule [H]C(CCC=C([H])C=C([H])CCCC(O)=O)=CCC([H])=CCCCCC [H]C(CCC=C([H])C=C([H])CCCC(O)=O)=CCC([H])=CCCCCC is any icosatetraenoic acid with the double bonds at positions 5, 7, 11 and 14. It is also related to or classified as icosatetraenoic acid  .
The molecule O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=CC=C(C=C2)/C=C\C3=CC(O)=CC(O)=C3)C(O)=O O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=CC=C(C=C2)/C=C\C3=CC(O)=CC(O)=C3)C(O)=O is cis-Resveratrol 4'-O-glucuronide. It is also related to or classified as glycoside  . It is also related to or classified as stilbenoid .
The molecule O1[C@@H]([C@H](O)[C@H](O)[C@@H](NC(=O)C)[C@H]1O)CO[C@@H]2O[C@@H]([C@@H](O[C@@H]3O[C@@H]([C@H](O)[C@H](O)[C@H]3O)CO)[C@H](O)[C@H]2O)CO O1[C@@H]([C@H](O)[C@H](O)[C@@H](NC(=O)C)[C@H]1O)CO[C@@H]2O[C@@H]([C@@H](O[C@@H]3O[C@@H]([C@H](O)[C@H](O)[C@H]3O)CO)[C@H](O)[C@H]2O)CO is an amino trisaccharide consisting of beta-lactose and 2-acetamido-2-deoxy-alpha-D-galactopyranose joined by a (1->6) glycosidic bond. Its functional parent is beta-lactose . It is also related to or classified as acetamides , amino trisaccharide .
The molecule C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)NC3=CC=CC=C3F)C(=O)N(C[C@@H]1OC)C)C)C C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)NC3=CC=CC=C3F)C(=O)N(C[C@@H]1OC)C)C)C is 1-(2-fluorophenyl)-3-[(5R,6S,9R)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule OC(=O)\C=C\c1ccccc1O OC(=O)\C=C\c1ccccc1O is the trans-isomer of 2-coumaric acid. It has the role of antioxidant . It has the role of metabolite . It is a conjugate acid of trans-2-coumarate . It is also related to or classified as 2-coumaric acid  . It is also related to or classified as phenols  .
The molecule CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@@H]([C@@H](CN(C2=O)C)OC)C)CC3=NC=CS3)C CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@@H]([C@@H](CN(C2=O)C)OC)C)CC3=NC=CS3)C is N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-thiazolylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C1CNCCC1N2C=NC(=C2C3=NC(=NC=C3)OC4=CC=C(C=C4)C5=CC=CC=C5)C6=CC=C(C=C6)F is a piperidinylimidazole that is 1H-imidazole carrying a piperidin-4-yl group, 4-fluorophenyl group and a 2-([biphenyl]-4-yloxy)pyrimidin-4-yl group at positions 1, 4 and 5 respectively. It is a potent inhibitor of p38alpha mitogen-activated protein kinase. It has a role as an EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor. It is a member of monofluorobenzenes, a piperidinylimidazole, an aryloxypyrimidine and a member of biphenyls.
The molecule O=C(O)/C(=C/C=C/C=C/C=C/CC/C=C/C(C(O)C(C(O)/C=C/C=C/C=CC=C/C=C/CC(O)C(C(=O)CC(O)CC(O)CC(O)/C=C/CC(O)CC(O)CC(O)CC(O)/C=C/CC(O)/C=C/CC(O)CC(O)CCCN)C)C)C)/C O=C(O)/C(=C/C=C/C=C/C=C/CC/C=C/C(C(O)C(C(O)/C=C/C=C/C=CC=C/C=C/CC(O)C(C(=O)CC(O)CC(O)CC(O)/C=C/CC(O)CC(O)CC(O)CC(O)/C=C/CC(O)/C=C/CC(O)CC(O)CCCN)C)C)C)/C is Linearmycin A. It is also related to or classified as very long-chain fatty acid  .
The molecule COC1=CC=C(C=C1)[C@H]1C[C@@H]2O[C@@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]3OC3=C(C)C(O)=C(C)C(O1)=C23 COC1=CC=C(C=C1)[C@H]1C[C@@H]2O[C@@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]3OC3=C(C)C(O)=C(C)C(O1)=C23 is an organic heterotetracyclic compound resulting from cyclocondensation of the 4- and 5-hydroxy groups of (2R,4S)-2-(4-methoxyphenyl)-6,8-dimethyl-3,4-dihydro-2H-chromene-4,5,7-triol across the 1- and 2-positions of beta-D-glucopyranose. It is a natural product extracted from the fern plant, Pronephrium penangianum and exerts antiproliferative and antifibrotic activity. It has the role of antioxidant . It has the role of antifibrotic agent . It has the role of plant metabolite . Its functional parent is beta-D-glucose . It is also related to or classified as polycyclic ether , organic heterotetracyclic compound , methoxybenzenes , monosaccharide derivative , hydroxyflavan .
The molecule C[C@H]1C[C@]2([C@H]([C@H]1OC(=O)C)[C@@H]3[C@](O3)(CC[C@H]4[C@H](C4(C)C)/C=C(/C2=O)\\C)C)O is a lathyrane diterpenoid isolated from the roots of Euphorbia micractina. It is a lathyrane diterpenoid, an epoxide, an acetate ester and a tertiary alpha-hydroxy ketone.
The molecule OCl OCl is A chlorine oxoacid with formula HOCl; a weak, unstable acid, it is the active form of chlorine in water. It has the role of EC 3.1.1.7 (acetylcholinesterase) inhibitor . It has the role of EC 2.5.1.18 (glutathione transferase) inhibitor . It has the role of human metabolite . It is a conjugate acid of hypochlorite . It is also related to or classified as reactive oxygen species , chlorine oxoacid .
The molecule [Cl-].COc1ccc(CC[NH2+]C[C@H](O)COc2cccc(C)c2)cc1OC [Cl-].COc1ccc(CC[NH2+]C[C@H](O)COc2cccc(C)c2)cc1OC is the hydrochloride salt of (S)-bevantolol. It is also related to or classified as bevantolol hydrochloride  .
The molecule CC/C=C\\C[C@@H](/C=C/C=C\\C=C\\C=C\\C1C(O1)C/C=C\\CCC(=O)O)O is a polyunsaturated fatty acid that is (4Z,9E,11E,13Z,15E,19Z)-docosahexaenoic acid having an epoxy group across positions 7 and 8 as well as a hydroxy substituent at the 17S-position. It is an epoxy fatty acid, a long-chain fatty acid and a hydroxy polyunsaturated fatty acid. It is a conjugate acid of a (4Z,7E,9E,11E,13Z,15E,17S,19Z)-7,8-epoxy-17-hydroxydocosahexaenoate.
The molecule CC(=O)N[C@@H](CCCNC(=O)C[C@H](CCCNC(=O)C[C@H](CCC[NH3+])[NH3+])[NH3+])CC(=O)N[C@@H]1[C@@H]([C@H]([C@H](O[C@H]1NC2=[NH+][C@H]3[C@H](N2)[C@@H](CNC3=O)O)CO)OC(=O)N)O is the N(beta)-acetyl derivative of streptothricin D(5+); major microspecies at pH 7.3. It is a N-glycosyl compound and a member of acetamides. It derives from a streptothricin D(5+). It is a conjugate acid of a Nbeta-acetylstreptothricin D.
The molecule OC[C@@H](O)[C@H]([C@H](O)[C@H](C[NH2+]C)O)O.OC[C@@H](O)[C@H]([C@H](O)[C@H](C[NH2+]C)O)O.C1=C(C(=C(C(=C1I)NC(=O)CCCCC(=O)NC2=C(C=C(C(=C2I)C([O-])=O)I)I)I)C([O-])=O)I OC[C@@H](O)[C@H]([C@H](O)[C@H](C[NH2+]C)O)O.OC[C@@H](O)[C@H]([C@H](O)[C@H](C[NH2+]C)O)O.C1=C(C(=C(C(=C1I)NC(=O)CCCCC(=O)NC2=C(C=C(C(=C2I)C([O-])=O)I)I)I)C([O-])=O)I is an organoammonium salt obtained by reaction of adipiodone with two equivalents of 1-deoxy-1-(methylamino)-D-glucitol. It is a contrast agent used in diagnostic imaging. It has the role of radioopaque medium . It is also related to or classified as organoammonium salt .
The molecule O=C1OC(C(=O)NCC(O)CC(O)C(O)CCC(=CC=CC(CCCC(CCCCC(C=C1C)C)=O)CC)COC)CCC O=C1OC(C(=O)NCC(O)CC(O)C(O)CCC(=CC=CC(CCCC(CCCCC(C=C1C)C)=O)CC)COC)CCC is M-230B. It is also related to or classified as lactam  . It is also related to or classified as macrolide  .
The molecule O1C2=C(C(OC)=C(OC)C=C2OC)C(=O)C(OC)=C1C3=CC(OC)=C(OC)C=C3 O1C2=C(C(OC)=C(OC)C=C2OC)C(=O)C(OC)=C1C3=CC(OC)=C(OC)C=C3 is 3,3',4',5,6,8-Hexamethoxyflavone. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule C(=O)([C@@H](N)CC1=CNC2=C1C=CC=C2)N[C@H](C(NCC(=O)N[C@H](C(N[C@H](C(N[C@H](C(O)=O)CC3=CNC=N3)=O)CC=4N=CNC4)=O)CC=5C=CC(=CC5)O)=O)CC=6C=CC(=CC6)O C(=O)([C@@H](N)CC1=CNC2=C1C=CC=C2)N[C@H](C(NCC(=O)N[C@H](C(N[C@H](C(N[C@H](C(O)=O)CC3=CNC=N3)=O)CC=4N=CNC4)=O)CC=5C=CC(=CC5)O)=O)CC=6C=CC(=CC6)O is an oligopeptide comprising L-tryptophan, L-tyrosine, glycine, L-tyrosine, and two L-histidine residues coupled in sequence by peptide linkages. It has the role of epitope . It is also related to or classified as hexapeptide .
The molecule C(C(C(OC(C(O)=O)(F)C(F)(F)F)(F)F)(F)F)(F)(F)F C(C(C(OC(C(O)=O)(F)C(F)(F)F)(F)F)(F)F)(F)(F)F is A perfluorinated compound that is 2-propoxypentanoic acid in which all 11 of the hydrogens attached to carbon atoms have been replaced by fluorine atoms. Used as an alternative to perfluorooctanoic acid in the fluoropolymer industry for years, its widespread environmental distribution, high bioaccumulation capability, and human exposure have caused great concern, particularly as its potential toxicity and health risk is still largely unknown.   It is also related to or classified as ether  . It is also related to or classified as perfluorinated compound , monocarboxylic acid .
The molecule C(OP(=O)(OCC(CO)O)O)[C@@H](COC(CCCCCCC/C=C\CCCCCCCC)=O)OC(C/C=C/CCCCCCCCCCCC)=O C(OP(=O)(OCC(CO)O)O)[C@@H](COC(CCCCCCC/C=C\CCCCCCCC)=O)OC(C/C=C/CCCCCCCCCCCC)=O is A phosphatidylglycerol (18:1/16:1) in which the 1- and 2-acyl groups are specified as oleoyl and (3E)-hexadecenoyl respectively. It has the role of Brassica napus metabolite . It is also related to or classified as phosphatidylglycerol (18:1/16:1)  . It is also related to or classified as L-alpha-phosphatidylglycerol  .
The molecule O[C@H]1[C@@H](O)c2c(O)cc(O)cc2O[C@@H]1c1ccc(O)cc1 O[C@H]1[C@@H](O)c2c(O)cc(O)cc2O[C@@H]1c1ccc(O)cc1 is cis-3,4-leucopelargonidin. It is also related to or classified as leucoanthocyanidin  . It is also related to or classified as pentahydroxyflavan .
The molecule CC(C)(C)NC(=O)N1CCN(CC1)C(=O)N2C(C(C2=O)CCCN=C(N)N)C(=O)O is an azetidinecarboxylic acid that consists of 4-oxoazetidine-2-carboxylic acid bearing tert-butylcarbamoyl)piperazin-1-ylcarbonyl and 3-guanidinopropyl groups at positions 1 and 3 respectively. It is a member of guanidines, an azetidinecarboxylic acid, a N-carbamoylpiperazine and a beta-lactam.
The molecule O=C1N[C@H](C(=O)N[C@H]1CCCN(O)C(=O)/C=C(/CCO)\C)CCCN(O)C(=O)C O=C1N[C@H](C(=O)N[C@H]1CCCN(O)C(=O)/C=C(/CCO)\C)CCCN(O)C(=O)C is (E)-N-[3-[(2S,5S)-5-[3-[acetyl(hydroxy)amino]propyl]-3,6-dioxopiperazin-2-yl]propyl]-N,5-dihydroxy-3-methylpent-2-enamide. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CCCCCC(=O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O CCCCCC(=O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O is 15-dehydro-prostaglandin E2. Its functional parent is prostaglandin E2 . It is a conjugate acid of 15-dehydro-prostaglandin E2(1-) . It is also related to or classified as prostaglandins E  .
The molecule CN1C[C@@H]2[C@@H](C1)C3=C(C=CC(=C3)Cl)OC4=CC=CC=C24 is a 5-chloro-2-methyl-2,3,3a,12b-tetrahydrodibenzo[2,3:6,7]oxepino[4,5-c]pyrrole in which both of the stereocentres have R configuration. It is a conjugate base of a (R,R)-asenapine(1+). It is an enantiomer of a (S,S)-asenapine.
The molecule CCCCCCc1ccc(CCCCCCCC(O)=O)o1 CCCCCCc1ccc(CCCCCCCC(O)=O)o1 is 8-(5-hexylfuran-2-yl)octanoic acid. Its functional parent is octanoic acid . It is also related to or classified as furans , heterocyclic fatty acid .
The molecule [Na+].CCc1cc(c2cc(cccc12)C(C)C)S([O-])(=O)=O [Na+].CCc1cc(c2cc(cccc12)C(C)C)S([O-])(=O)=O is an organic sodium salt having 3-ethyl-7-isopropylazulene-1-sulfonate as the counterion. Used for treatment of gastric ulcers. It has the role of anti-ulcer drug . It has the role of thromboxane A2 antagonist . It is also related to or classified as organic sodium salt , organosulfonate salt .
The molecule CCCC1=C(CNC(=O)C2=CC(=CC3=C2C=NN3C(C)C)C2=CC=NC(=C2)N2CCN(C)CC2)C(=O)NC(C)=C1 CCCC1=C(CNC(=O)C2=CC(=CC3=C2C=NN3C(C)C)C2=CC=NC(=C2)N2CCN(C)CC2)C(=O)NC(C)=C1 is A member of the class of indazoles that is 1-isopropyl-1H-indazole-4-carboxamide in which the nitrogen of the carboxamide group is substituted by a (6-methyl-2-oxo-4-propyl-1,2-dihydropyridin-3-yl)methyl group and in which the indazole ring is substituted at position 6 by a 2-(4-methylpiperazin-1-yl)pyridin-4-yl group. A highly potent and selective EZH2 inhibitor (IC50 = 4 nM). It has the role of EC 2.1.1.43 (enhancer of zeste homolog 2) inhibitor . It has the role of antineoplastic agent . It has the role of apoptosis inducer . It is also related to or classified as secondary carboxamide  . It is also related to or classified as pyridone , aminopyridine , indazoles , N-alkylpiperazine , N-arylpiperazine .
The molecule C1CC(C1)(C2=CC=C(C=C2)C3=C(C=C4C(=N3)C=CN5C4=NNC5=O)C6=CC=CC=C6)N is an organic heterotricyclic compound that is [1,2,4]triazolo[3,4-f][1,6]naphthyridin-3(2H)-one substituted at positions 8 and 9 respectively by 4-(1-aminocyclobutyl)phenyl and phenyl groups. It has a role as an EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor. It derives from a 1,6-naphthyridine.
The molecule CCCN(C)C[C@@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)C)O[C@H](CCCCO1)C)[C@H](C)CO)C CCCN(C)C[C@@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)C)O[C@H](CCCCO1)C)[C@H](C)CO)C is N-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methylbenzenesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule [1H+] [1H+] is nuclear particle of charge number +1, spin 1/2 and rest mass of 1.007276470(12) u. It is also related to or classified as hydron  . It is also related to or classified as nucleon  .
The molecule O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC=C(O)C=C4)CO[C@@]5(O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO)[H] O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC=C(O)C=C4)CO[C@@]5(O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO)[H] is A kaempferol O-glucoside in which the hydroxy hydrogen at position 3 of kaempferol has been replaced by a gentiobiosyl group. It has the role of Brassica napus metabolite . Its functional parent is gentiobiose . It is also related to or classified as trihydroxyflavone , disaccharide derivative , kaempferol O-glucoside .
The molecule CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I is A benzenedicarboxamide compound having N-(2,3-dihydroxypropyl)carbamoyl groups at the 1- and 3-positions, iodo substituents at the 2-, 4- and 6-positions and an N-(2,3-dihydroxypropyl)acetamido group at the 5-position. It has the role of xenobiotic . It has the role of radioopaque medium . It has the role of environmental contaminant . It is also related to or classified as organoiodine compound  . It is also related to or classified as benzenedicarboxamide  .
The molecule [H][C@@]1(CC[C@@]2([H])C3=CC[C@]4([H])[C@](C)(CC[C@H](O)[C@]4(C)C(O)=O)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C [H][C@@]1(CC[C@@]2([H])C3=CC[C@]4([H])[C@](C)(CC[C@H](O)[C@]4(C)C(O)=O)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C is 3beta-hydroxy-4alpha-methyl-5alpha-cholest-7-ene-4beta-carboxylic acid.  It is also related to or classified as 3beta-hydroxy steroid  . It is also related to or classified as hydroxy monocarboxylic acid .
The molecule C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)COC)C(=O)N(C[C@H]1OC)C)C)CC3=CC=CC=C3 C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)COC)C(=O)N(C[C@H]1OC)C)C)CC3=CC=CC=C3 is 2-methoxy-N-[(5S,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(phenylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C1=CC=C(C=C1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NC2=CC3=CC=CC=C3C=C2 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-arginine with the amino group of 2-naphthylamine. It has a role as a chromogenic compound. It is a L-arginine derivative and a N-{5-carbamimidamido-1-[(naphthalen-2-yl)amino]-1-oxopentan-2-yl}benzamide. It is an enantiomer of a N-benzoyl-D-arginine 2-naphthylamide.
The molecule C(=O)([C@@H](N)CC1=CNC2=C1C=CC=C2)NCC(N[C@H](C(N[C@H](C(N[C@H](C(=O)O)CC=3N=CNC3)=O)CC4=CNC=N4)=O)C(CC)C)=O C(=O)([C@@H](N)CC1=CNC2=C1C=CC=C2)NCC(N[C@H](C(N[C@H](C(N[C@H](C(=O)O)CC=3N=CNC3)=O)CC4=CNC=N4)=O)C(CC)C)=O is A pentapeptide comprising L-tryptophan, glycine, L-isoleucine, and two L-histidine residues coupled in sequence by peptide linkages. It has the role of epitope . It is also related to or classified as pentapeptide .
The molecule C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]2[C@H]1C)C)C is a pentacyclic triterpenoid that is ursane which contains a double bond between positions 12 and 13 and in which the hydrogen at the 3beta position is substituted by a hydroxy group. It is a pentacyclic triterpenoid and a secondary alcohol. It derives from a hydride of an ursane.
The molecule CN[C@H](CC(C)C)C(=O)N[C@@H]1[C@H](O)c2ccc(Oc3cc4cc(Oc5ccc(cc5Cl)[C@@H](O[C@H]5C[C@](C)(N)[C@@H](O)[C@H](C)O5)[C@@H]5NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@H](CC(N)=O)NC1=O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1[C@H](NC5=O)C(O)=O)c3O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@H]1C[C@](C)(N)[C@@H](O)[C@H](C)O1)c(Cl)c2 CN[C@H](CC(C)C)C(=O)N[C@@H]1[C@H](O)c2ccc(Oc3cc4cc(Oc5ccc(cc5Cl)[C@@H](O[C@H]5C[C@](C)(N)[C@@H](O)[C@H](C)O5)[C@@H]5NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@H](CC(N)=O)NC1=O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1[C@H](NC5=O)C(O)=O)c3O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@H]1C[C@](C)(N)[C@@H](O)[C@H](C)O1)c(Cl)c2 is A complex glycopeptide antibiotic that is isolated from Amycolatopsis orientalis. It has the role of antimicrobial agent . It has the role of bacterial metabolite . Its functional parent is vancomycin aglycone . It is also related to or classified as glycopeptide  . It is also related to or classified as disaccharide derivative .
The molecule OC(=O)[C@@H]1N2[C@@H](CC2=O)O\C1=C/C=O OC(=O)[C@@H]1N2[C@@H](CC2=O)O\C1=C/C=O is an organic heterobicyclic compound that is clavulanic acid in which the allylic alcohol group has been oxidised to the corresponding aldehyde. It has the role of bacterial metabolite . It is a conjugate acid of clavaldehyde(1-) .  It is also related to or classified as beta-lactam  .  It is also related to or classified as enal  . It is also related to or classified as organic heterobicyclic compound , oxo monocarboxylic acid .
The molecule CC[C@]1([C@H](O1)CC/C(=C/CC/C(=C/C(=O)OC)/C)/C)C is a member of the juvenile hormone family of compounds that is the methyl ester of (2E,6E,10R,11S)-10,11-epoxy-3,7,11-trimethyltrideca-2,6-dienoic acid. It is a fatty acid methyl ester, an epoxide, an enoate ester and a juvenile hormone.