anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C1COCCN1C(C2=CC=NC=C2)C(=O)NNC=C3C=C(C=CC3=O)Br C1COCCN1C(C2=CC=NC=C2)C(=O)NNC=C3C=C(C=CC3=O)Br is N'-[(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]-2-(4-morpholinyl)-2-pyridin-4-ylacetohydrazide. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule [H]OB([H])O[H] [H]OB([H])O[H] is the simplest boronic acid, consisting of borane with two of the hydrogens substituted by hydroxy groups. It is also related to or classified as boronic acids  .
The molecule ClC1=CC2=C(C(OC(=O)C)=C(OC)C(OC)=C2OC(=O)C)C=C1 ClC1=CC2=C(C(OC(=O)C)=C(OC)C(OC)=C2OC(=O)C)C=C1 is lonapalene.  It is also related to or classified as organochlorine compound  . It is also related to or classified as naphthalenes .
The molecule CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C(CO)C3=CC=CC=C3 is a racemate composed of equimolar concentrations of (S)- and (R)-atropine. It is obtained from deadly nightshade (Atropa belladonna) and other plants of the family Solanaceae. It has a role as a muscarinic antagonist, an anaesthesia adjuvant, an anti-arrhythmia drug, a mydriatic agent, a parasympatholytic, a bronchodilator agent, a plant metabolite, an antidote to sarin poisoning and a oneirogen. It contains a (S)-atropine and a (R)-atropine.
The molecule [H]OB(O[H])B(O[H])O[H] [H]OB(O[H])B(O[H])O[H] is hypodiboric acid. It has the role of inorganic acid . It is also related to or classified as boron oxoacid .
The molecule CC(C)CC(C1=C(C(=C(C(=C1O)CC=C(C)C)O)C(=O)C)O)C2=C(C(=C(C(=C2O)CC=C(C)C)OC)C(=O)C)O is a polyphenol that is isolated from Acronychia pedunculata and exhibits moderate antioxidant and antityrosinase activities. It has a role as a plant metabolite, an antioxidant and an EC 1.14.18.1 (tyrosinase) inhibitor. It is a member of acetophenones, a polyphenol, an aromatic ether and an olefinic compound.
The molecule C(N(C)CC1(C)COC1)C2=CC=C(C=C2)OC C(N(C)CC1(C)COC1)C2=CC=C(C=C2)OC is A tertiary amino compound that is p-methoxybenzylamine in which the hydrogens attached to the amino group have been replaced by methyl and 3-methyloxetan-3-yl groups. It is also related to or classified as aromatic ether , oxetanes , tertiary amino compound .
The molecule C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)O is a trihydroxyflavone with the hydroxy groups at positions C-5, -7 and -8. It has a role as an antioxidant and a metabolite.
The molecule OC\C=C\c1ccccc1 OC\C=C\c1ccccc1 is the E (trans) stereoisomer of cinnamyl alcohol. It has the role of plant metabolite . It is also related to or classified as cinnamyl alcohol  .
The molecule C1(=CC=C(C=C1CN2C(N(C(C=C2N3CCC[C@H](C3)N)=O)C)=O)F)C#N C1(=CC=C(C=C1CN2C(N(C(C=C2N3CCC[C@H](C3)N)=O)C)=O)F)C#N is trelagliptin. It is also related to or classified as nitrile  . It is also related to or classified as benzenes .
The molecule C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3=NOC(=C3)C)C(=O)N(C[C@H]1OC)C)C)CC4CC4 C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3=NOC(=C3)C)C(=O)N(C[C@H]1OC)C)C)CC4CC4 is N-[(4S,7R,8S)-5-(cyclopropylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-methyl-3-isoxazolecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule O(C1=CC(=C(N2CCC=3C2=NC(=CC3N4N=C(N5CCNC5=O)C=C4)C)C=C1)C)C O(C1=CC(=C(N2CCC=3C2=NC(=CC3N4N=C(N5CCNC5=O)C=C4)C)C=C1)C)C is Emicerfont. It is also related to or classified as aromatic amine , tertiary amino compound .
The molecule C1CCC(CC1)C#CC2=CC=C(C=C2)[C@H]3[C@@H](N[C@@H]3C#N)CO C1CCC(CC1)C#CC2=CC=C(C=C2)[C@H]3[C@@H](N[C@@H]3C#N)CO is (2S,3R,4R)-3-[4-(2-cyclohexylethynyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule C[N+](=C1C=CC2=NC3=C(C=C(C=C3)N)SC2=C1)C.[Cl-] is an organic chloride salt having 3-amino-7-(dimethylamino)phenothiazin-5-ium as the counterion. It is used in making azure eosin stains for blood smear staining. It has a role as a histological dye and a fluorochrome. It contains a 3-amino-7-(dimethylamino)phenothiazin-5-ium.
The molecule O[C@@H]1[C@@H](O)[C@H](OP([O-])([O-])=O)[C@@H](OP([O-])([O-])=O)[C@@H](O)[C@H]1OP([O-])([O-])=O O[C@@H]1[C@@H](O)[C@H](OP([O-])([O-])=O)[C@@H](OP([O-])([O-])=O)[C@@H](O)[C@H]1OP([O-])([O-])=O is the hexaanion of 1D-myo-inositol 1,3,4-trisphosphate. It has the role of human metabolite . It is also related to or classified as inositol phosphate oxoanion .
The molecule C=1C(=C(C=C2C1CC[NH+]3C[C@@H]([C@@](C[C@@]23[H])([H])C[C@@]4([H])[NH2+]CCC=5C4=CC(=C(C5)O)OC)CC)OC)OC C=1C(=C(C=C2C1CC[NH+]3C[C@@H]([C@@](C[C@@]23[H])([H])C[C@@]4([H])[NH2+]CCC=5C4=CC(=C(C5)O)OC)CC)OC)OC is major species at pH 7.3. It is a conjugate acid of cephaeline . It is also related to or classified as ammonium ion derivative .
The molecule O=C1N2[C@H](C(=O)N[C@H]1CC3=CC(O)=C(O)C=C3)CCC2 O=C1N2[C@H](C(=O)N[C@H]1CC3=CC(O)=C(O)C=C3)CCC2 is JS-3. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule [C@H]1(C(N[C@H](C(N[C@H]2C(=O)N3[C@H](C(N[C@@H](C(N[C@H](C(=O)N1)CC(C)C)=O)CC(C)C)=O)CC[C@H]3O[C@@H]2C)=O)CC(C)C)=O)C [C@H]1(C(N[C@H](C(N[C@H]2C(=O)N3[C@H](C(N[C@@H](C(N[C@H](C(=O)N1)CC(C)C)=O)CC(C)C)=O)CC[C@H]3O[C@@H]2C)=O)CC(C)C)=O)C is A cyclic hexapeptide with the amino acid sequence cyclo-(D-Ala-L-Leu-D-allo-Thr-L-Pro-D-Leu-L-Leu). Fusahexin is a secondary metabolite produced by the plant pathogenic fungus Fusarium graminearum. It has the role of fungal metabolite . It is also related to or classified as cyclic peptide .
The molecule CC\\1=C(/C(=C/C2=C(C(=C(N2)C(=O)C3=C(C(=C(N3)C=O)C)C=C)C)CCC(=O)[O-])/N/C1=C\\C4=NC(=O)C(=C4C)C=C)CCC(=O)[O-] is a linear tetrapyrrole anion obtained by deprotonation of the two carboxy groups of mycobilin a; major species at pH 7.3. It is a dicarboxylic acid dianion and a linear tetrapyrrole anion. It is a conjugate base of a mycobilin a.
The molecule OC[C@@H](COP([O-])(=O)OC[C@H](CO)O)OC(CCCCCCC/C=C\CCCCCCCC)=O OC[C@@H](COP([O-])(=O)OC[C@H](CO)O)OC(CCCCCCC/C=C\CCCCCCCC)=O is an anionic phospholipid that is the conjugate base of (S,S)-2-oleoylglycero-1-phospho-1'-glycerol obtained by deprotonation of the phosphate OH group; major species at pH 7.3. It is also related to or classified as anionic phospholipid .
The molecule N12C([C@@]([C@]1(SC(=C2C(=O)OCC=3OC(OC3C)=O)[C@@H]4OCCC4)[H])([C@H](O)C)[H])=O N12C([C@@]([C@]1(SC(=C2C(=O)OCC=3OC(OC3C)=O)[C@@H]4OCCC4)[H])([C@H](O)C)[H])=O is faropenem medoxil. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NS(=O)(=O)C)C(=O)N(C[C@@H]1OC)C)C)C C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NS(=O)(=O)C)C(=O)N(C[C@@H]1OC)C)C)C is N-[(5R,6R,9S)-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]methanesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC1=CC(=C2C(=C1OCC=C(C)C)C(OC3=C(C=CC(=C3C2=O)O)CC=C(C)C)O)O is a dibenzooxepine that is dibenzo[b,e]oxepin-11(6H)-one substituted by hydroxy groups at positions 1, 6 and 10, a methyl group at position 8, a prenyl group at position 4 and a prenyloxy group at position 7. Isolated from Aspergillus, it exhibits antibacterial activity. It has a role as an antibacterial agent and an Aspergillus metabolite. It is a dibenzooxepine, a cyclic ketone, a polyphenol and a lactol.
The molecule C1=C2C=C(NC2=CC(=C1O)O)C(=O)O is a dihydroxyindole that is indole-2-carboxylic acid substituted by hydroxy groups at positions 5 and 6. It has a role as a mouse metabolite. It is a conjugate acid of a 5,6-dihydroxyindole-2-carboxylate. It is a tautomer of a dopachrome.
The molecule OC[C@@H](COP([O-])(=O)OC[C@H](CO)OC(CCCCCCC/C=C\CCCCCCCC)=O)OC(CCCCCCC/C=C\CCCCCCCC)=O OC[C@@H](COP([O-])(=O)OC[C@H](CO)OC(CCCCCCC/C=C\CCCCCCCC)=O)OC(CCCCCCC/C=C\CCCCCCCC)=O is A 1,1'-lysobisphosphatidate obtained by deprotonation of the phosphate OH group of (S,S)-bis-(2-oleoylglycero)-1-phosphate; major species at pH 7.3. It is also related to or classified as 1,1'-lysobisphosphatidate  .
The molecule CC(=O)N1[C@H]([C@@H]([C@@H]1CO)C2=CC=CC=C2)CN(CCOC)C(=O)C3=CN=CC=C3 CC(=O)N1[C@H]([C@@H]([C@@H]1CO)C2=CC=CC=C2)CN(CCOC)C(=O)C3=CN=CC=C3 is N-[[(2R,3S,4R)-1-acetyl-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-N-(2-methoxyethyl)-3-pyridinecarboxamide. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule NS(=O)(=O)c1cc2c(NC(Cc3ccccc3)NS2(=O)=O)cc1C(F)(F)F NS(=O)(=O)c1cc2c(NC(Cc3ccccc3)NS2(=O)=O)cc1C(F)(F)F is A sulfonamide consisting of 7-sulfamoyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide in which the hydrogen at position 6 is substituted by a trifluoromethyl group and that at position 3 is substituted by a benzyl group. It has the role of diuretic . It has the role of antihypertensive agent . It is also related to or classified as sulfonamide  . It is also related to or classified as benzothiadiazine .
The molecule C1=C(C=CC(=C1)C[C@@H](C(O)=O)OCC)OCCN2C(=CC=C2C)C=3C=CC(=CC3)SC C1=C(C=CC(=C1)C[C@@H](C(O)=O)OCC)OCCN2C(=CC=C2C)C=3C=CC(=CC3)SC is A monocarboxylic acid that is (2S)-2-ethoxy-3-(p-ethoxyphenyl)propanoic acid in which one of the methyl hydrogens of the p-ethoxy substituent has been replaced by the nitrogen of 2-methyl-5-[4-(methylthio)phenyl]-1H-pyrrole. An agonist at the subtypes alpha and gamma of the peroxisome proliferator-activated receptor (PPAR) with predominant PPARalpha activity, it is used in the treatment of type 2 diabetes. It has the role of hypoglycemic agent . It has the role of PPARalpha agonist . It has the role of PPARgamma agonist .    It is also related to or classified as methyl sulfide  . It is also related to or classified as monocarboxylic acid , pyrroles , aromatic ether .
The molecule CCOC(=O)N1C(=O)[C@](N1C(=O)OCC)(C2=CC=C(C=C2)Cl)C(C)C CCOC(=O)N1C(=O)[C@](N1C(=O)OCC)(C2=CC=C(C=C2)Cl)C(C)C is (3R)-3-(4-chlorophenyl)-4-oxo-3-propan-2-yldiazetidine-1,2-dicarboxylic acid diethyl ester. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CCCC(=O)NC1=CC(=C(C=C1)OCC(C[NH2+]C(C)C)O)C(=O)C is an ammonium ion that results from the protonation of the amine nitrogen of acebutolol. It is a conjugate acid of an acebutolol.
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)CC4CCCCC4 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)CC4CCCCC4 is 1-cyclohexyl-3-[(3R,9S,10R)-9-[[cyclohexylmethyl(methyl)amino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCOC(=O)CCN(SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12)C(C)C CCOC(=O)CCN(SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12)C(C)C is benfuracarb. It has the role of agrochemical . It has the role of carbamate insecticide . It has the role of EC 3.1.1.7 (acetylcholinesterase) inhibitor .  It is also related to or classified as ethyl ester  . It is also related to or classified as carbamate ester , 1-benzofurans .
The molecule [H]C(CCCC(O)=O)=CCC([H])=CC([H])=CC(O)CC([H])=CCCCCC [H]C(CCCC(O)=O)=CCC([H])=CC([H])=CC(O)CC([H])=CCCCCC is A HETE that is icosa-5,8,10,14-tetraenoic acid substituted by a hydroxy group at position 12. It is a metabolite of arachidonic acid. It has the role of human metabolite . Its functional parent is icosa-5,8,10,14-tetraenoic acid . It is also related to or classified as HETE .
The molecule CCCCC/C=C\\C[C@H](/C=C/C=C/C(=O)O)O is a hydroxy polyunsaturated fatty acid that is (2E,4E,8Z)-tetradeca-2,4,8-trienoic acid which is carrying a hydroxy group at the 6R-position. It is a long-chain fatty acid, a hydroxy polyunsaturated fatty acid, an alpha,beta-unsaturated monocarboxylic acid and a straight-chain fatty acid.
The molecule C1(CN(C1)C(C=2OC(=NN2)C3=CC=C(C=C3)OC)=O)OC4=CC=C(C=C4)CN5CC6(C5)COC6 C1(CN(C1)C(C=2OC(=NN2)C3=CC=C(C=C3)OC)=O)OC4=CC=C(C=C4)CN5CC6(C5)COC6 is A carboxamide resulting from the formal condensation of the carboxy group of 5-(p-methoxyphenyl)-1,3,4-oxadiazole-2-carboxylic acid with the amino group of 3-phenoxyazetidine and in which the phenoxy group has been substituted at the para- position by a 2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl group. It is a melanin concentrating hormone receptor 1 (MCHr1) antagonist. It has the role of melanin-concentrating hormone receptor antagonist .       It is also related to or classified as carboxamide  . It is also related to or classified as aromatic ether , azaspiro compound , oxaspiro compound , oxetanes , oxadiazole , N-acylazetidine .
The molecule C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC(C)C)C(=O)N(C[C@H]1OC)C)C)C C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC(C)C)C(=O)N(C[C@H]1OC)C)C)C is 1-[(4R,7S,8S)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCN[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)CC[C@H]2N)[C@H](O)[C@H]1O[C@H]1OC[C@](C)(O)[C@H](NC)[C@H]1O CCN[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)CC[C@H]2N)[C@H](O)[C@H]1O[C@H]1OC[C@](C)(O)[C@H](NC)[C@H]1O is an aminoglycoside antibiotic that is gentamycin C1a in which the hydrogen of the amino group at position 1 is substituted by an ethyl group. It is a fourth generation semisynthetic aminoglycoside that has antimicrobial activity against both gram-positive and gram-negative bacterial infections and also effective against aminoglycoside resistant strains. It has the role of antibacterial agent . Its functional parent is gentamycin C1a . It is also related to or classified as amino cyclitol glycoside , aminoglycoside antibiotic .
The molecule CCC(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@@H]([C@H](CN(C2=O)C)OC)C)C(=O)CC)C CCC(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@@H]([C@H](CN(C2=O)C)OC)C)C(=O)CC)C is N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(1-oxopropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C1C[C@H](N[C@@H]1CC(=O)O)C(=O)O is a L-proline derivative that is L-proline substituted at position 5 by a carboxymethyl group. It has a role as a metabolite. It is a dicarboxylic acid and a L-proline derivative. It is a conjugate acid of a (5S)-5-(carboxymethyl)-L-proline(1-).
The molecule O1C(C(O)C(O)C(O)C1OC(=O)/C=C/C2=C(O)C=C(OC)C=C2)CO O1C(C(O)C(O)C(O)C1OC(=O)/C=C/C2=C(O)C=C(OC)C=C2)CO is 1-O-2'-Hydroxy-4'-methoxycinnamoyl-b-D-glucose. Its functional parent is hydroxycinnamic acid . It is also related to or classified as glycoside  .
The molecule CC1=CC(OS(O)(=O)=O)=C(C)C=C1 CC1=CC(OS(O)(=O)=O)=C(C)C=C1 is an aryl sulfate that is 2,5-xylenol in which the phenolic hydrogen has been replaced by a sulfo group. Its functional parent is 2,5-xylenol . It is also related to or classified as aryl sulfate .
The molecule [H][C@]12OCC[C@@]1([H])C1=C(O2)C=C(O)C2=C1OC1=CC=CC(O)=C1C2=O [H][C@]12OCC[C@@]1([H])C1=C(O2)C=C(O)C2=C1OC1=CC=CC(O)=C1C2=O is an organic heteropentacyclic compound that is sterigmatocystin in which the methoxy group at position 6 is replaced by a hydroxy group. It has the role of Aspergillus metabolite . It is also related to or classified as sterigmatocystins .
The molecule CC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)[O-] is a monocarboxylic acid anion that is the conjugate base of N-acetyl-L-tryptophan, obtained by the deprotonation of the carboxy group; major species at pH 7.3. It derives from a L-tryptophanate. It is a conjugate base of a N-acetyl-L-tryptophan. It is an enantiomer of a N-acetyl-D-tryptophanate.
The molecule O(C[C@@H](COP(OC[C@H](CO)O)(=O)[O-])O)C(CCCCCCC/C=C\CCCCCCCC)=O O(C[C@@H](COP(OC[C@H](CO)O)(=O)[O-])O)C(CCCCCCC/C=C\CCCCCCCC)=O is A 1-acylglycero-3-phospho-1'-glycerol(1-) that is the conjugate base of (S,S)-3-oleoyl-sn-glycero-1-phospho-(1'-sn-glycerol) obtained by deprotonation of the phosphate OH group; major species at pH 7.3. It is also related to or classified as a 3-acyl-sn-glycero-1-phospho-(1'-sn-glycerol)(1-)  . It is also related to or classified as 1-acylglycero-3-phospho-1'-glycerol(1-)  .
The molecule O=C(OC)C1=C(C)NC(C)=C(C(OCCCN2CCC(C3=CC=CC=C3)(C4=CC=CC=C4)CC2)=O)[C@@H]1C5=CC=CC([N+]([O-])=O)=C5.Cl O=C(OC)C1=C(C)NC(C)=C(C(OCCCN2CCC(C3=CC=CC=C3)(C4=CC=CC=C4)CC2)=O)[C@@H]1C5=CC=CC([N+]([O-])=O)=C5.Cl is (R)-(-)-niguldipine hydrochloride is a L-type Ca2+ channel blocker and alpha1A-adrenoceptor antagonist; less active enantiomer. It is also related to or classified as organic molecular entity .
The molecule O(C1=C(OC=2C(C1=O)=C(O)C=C(C2)OCCO)C3=CC(O)=C(C=C3)O)[C@@H]4O[C@H](CO[C@H]5[C@H](O)[C@H](O)[C@H]([C@@H](O5)C)O)[C@H]([C@@H]([C@H]4O)O)O O(C1=C(OC=2C(C1=O)=C(O)C=C(C2)OCCO)C3=CC(O)=C(C=C3)O)[C@@H]4O[C@H](CO[C@H]5[C@H](O)[C@H](O)[C@H]([C@@H](O5)C)O)[C@H]([C@@H]([C@H]4O)O)O is monoxerutin. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule CC(=O)N[C@H]1C(O)O[C@H](COP([O-])([O-])=O)[C@H](O)[C@@H]1O CC(=O)N[C@H]1C(O)O[C@H](COP([O-])([O-])=O)[C@H](O)[C@@H]1O is an organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of N-acetyl-D-galactosamine 6-phosphate. It is also related to or classified as organophosphate oxoanion .
The molecule C[C@@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)C#N)OC[C@H]3[C@@H](CC[C@H](O3)CCN(C1=O)C)OC)C)OC C[C@@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)C#N)OC[C@H]3[C@@H](CC[C@H](O3)CCN(C1=O)C)OC)C)OC is LSM-13774. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)C[C@@H](COC3=CC=CC=C3OC)O is an N-(2,6-dimethylphenyl)-2-{4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl}acetamide that is the (S)-enantiomer of ranolazine (the racemate is a drug used for treatment of chronic angina). It is an enantiomer of a (R)-ranolazine.
The molecule CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O is A L-tyrosine derivative that is L-tyrosine in which the amino group is replaced by a (tert-butoxycarbonyl)amino group. It is also related to or classified as tert-butyl ester  . It is also related to or classified as L-tyrosine derivative .
The molecule CCS(=O)(=O)N1C[C@H]2[C@@H]([C@H](N2C(=O)C1)CO)C3=CC=C(C=C3)C#CC4CCCCC4 CCS(=O)(=O)N1C[C@H]2[C@@H]([C@H](N2C(=O)C1)CO)C3=CC=C(C=C3)C#CC4CCCCC4 is (6R,7S,8S)-7-[4-(2-cyclohexylethynyl)phenyl]-4-ethylsulfonyl-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule C[C@H]1CCCC[C@@H]2[C@@H](CC(=O)O1)[C@H](C=CC2=O)O is a macrocyclic lactone isolated from the fermentation broth of the fungal culture Penicillium verrucosum and has been shown to exhibit inhibitory activity against bacterial DNA primase enzyme. It has a role as a Penicillium metabolite and an EC 2.7.7.6 (RNA polymerase) inhibitor. It is a macrocyclic lactone and an enone.
The molecule O(C[C@@H](COP([O-])(=O)OC[C@H](COC(CCCCCCC/C=C\CCCCCCCC)=O)O)O)C(CCCCCCC/C=C\CCCCCCCC)=O O(C[C@@H](COP([O-])(=O)OC[C@H](COC(CCCCCCC/C=C\CCCCCCCC)=O)O)O)C(CCCCCCC/C=C\CCCCCCCC)=O is A 3,3'-lysobisphosphatidate obtained by deprotonation of the phosphate OH group of (S,S)-bis-(3-oleoylglycero)-1-phosphate; major species at pH 7.3. It is also related to or classified as 2,2'-lysobisphosphatidate  .
The molecule BrC1=CC=C(\C(=N\OCC)\C2CCN(C3(CCN(CC3)C(=O)C=4C(=[N+]([O-])C=CC4C)C)C)CC2)C=C1 BrC1=CC=C(\C(=N\OCC)\C2CCN(C3(CCN(CC3)C(=O)C=4C(=[N+]([O-])C=CC4C)C)C)CC2)C=C1 is Ancriviroc. It is also related to or classified as pyridinemonocarboxylic acid , aromatic carboxylic acid .
The molecule N[C@]1(C[C@H]([18F])C1)C(O)=O N[C@]1(C[C@H]([18F])C1)C(O)=O is A member of the class of cyclobutanes that is cyclobutane which carries a carboxy, amino and ((18)F)fluoro groups at positions 1, 1 and 3, respectively (the 1r,3r-stereoisomer). It is a positron emission tomography (PET) radiotracer for visualizing prostate cancer. It has the role of radioactive imaging agent .    It is also related to or classified as alpha-amino acid  . It is also related to or classified as cyclobutanes , fluoroamino acid , monocarboxylic acid , (18)F radiopharmaceutical , primary amino compound .
The molecule C[NH+]1CCC[C@@H]1c1ccc(O)nc1 C[NH+]1CCC[C@@H]1c1ccc(O)nc1 is an ammonium ion that is the conjugate acid of (R)-6-hydroxynicotine, obtained by protonation of the pyrrolidine nitrogen. It is a conjugate acid of (R)-6-hydroxynicotine . It is also related to or classified as ammonium ion derivative .
The molecule C[NH+](C)CC(=O)[O-] is an amino acid zwitterion resulting from transfer of a proton from the carboxy to the amino group of N,N-dimethylglycine; major species at pH 7.3. It is a tautomer of a N,N-dimethylglycine.
The molecule C[C@@]12C[C@H](OC(=O)[C@@H]1CC[C@]1(C)[C@H]2[C@@H]2OC(=O)[C@@]1(O)C=C2)c1ccoc1 C[C@@]12C[C@H](OC(=O)[C@@H]1CC[C@]1(C)[C@H]2[C@@H]2OC(=O)[C@@]1(O)C=C2)c1ccoc1 is Columbin. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule C[C@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)CCN3CCOCC3)O[C@H]1CN(C)C(=O)NC4=CC=CC=C4)[C@@H](C)CO C[C@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)CCN3CCOCC3)O[C@H]1CN(C)C(=O)NC4=CC=CC=C4)[C@@H](C)CO is N-[(2R,3S)-2-[[[anilino(oxo)methyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide. Its functional parent is beta-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule [C@@H]1([C@@H](C[C@H]([C@@H](O1)C)O)O)OCCCCCCCCCCCCCCCCCCC(=O)SCCNC(CCNC(=O)[C@@H](C(COP(OP(OC[C@H]2O[C@@H](N3C4=C(C(=NC=N4)N)N=C3)[C@@H]([C@@H]2OP(O)(O)=O)O)(=O)O)(=O)O)(C)C)O)=O [C@@H]1([C@@H](C[C@H]([C@@H](O1)C)O)O)OCCCCCCCCCCCCCCCCCCC(=O)SCCNC(CCNC(=O)[C@@H](C(COP(OP(OC[C@H]2O[C@@H](N3C4=C(C(=NC=N4)N)N=C3)[C@@H]([C@@H]2OP(O)(O)=O)O)(=O)O)(=O)O)(C)C)O)=O is an acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of oscr#34. Its functional parent is oscr#34 . It is a conjugate acid of oscr#34-CoA(4-) . It is also related to or classified as acyl-CoA  .
The molecule CCC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O is a member of the class of adenosines that is adenosine with the hydrogen on the 5'-hydroxy group replaced with a propanoyl group. It derives from an adenosine.
The molecule [O-]P([O-])(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)O)O)O)OC2[C@H]([C@H]([C@@H]([C@H](O2)COP([O-])(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H]([C@H]3O)O)O)O)O)O)O)O [O-]P([O-])(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)O)O)O)OC2[C@H]([C@H]([C@@H]([C@H](O2)COP([O-])(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H]([C@H]3O)O)O)O)O)O)O)O is an organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of mannose-(1D-myo-inositol 1-phosphate)2; major species at pH 7.3. It is also related to or classified as organophosphate oxoanion .
The molecule C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC(C)C)C(=O)N(C[C@@H]1OC)C)C)C(=O)C3CCC3 C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC(C)C)C(=O)N(C[C@@H]1OC)C)C)C(=O)C3CCC3 is 1-[(4R,7S,8R)-5-[cyclobutyl(oxo)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC1=C([C@]2(CC[C@@H](C([C@@H]2CC1)(C)C)O)C)CCC3=C(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C is a triterpenoid that is ethane in which each carbon has been substituted by a (4aS,6S,8aS)-6-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl group. It has a role as a plant metabolite. It is a triterpenoid, a secondary alcohol, an olefinic compound and a diol.