anonymous041/ChEBI-Augmented huggingface dataset:
The molecule O(C(CC1=CC(O)=C(O)C=C1)C(O)=O)C(=O)/C=C/C2=CC(O)=C(O/C(=C\C3=CC(O)=C(O)C=C3)/C(OC)=O)C=C2 O(C(CC1=CC(O)=C(O)C=C1)C(O)=O)C(=O)/C=C/C2=CC(O)=C(O/C(=C\C3=CC(O)=C(O)C=C3)/C(OC)=O)C=C2 is Schizotenuin F. Its functional parent is pyruvic acid . It is also related to or classified as 2-oxo monocarboxylic acid  .
The molecule CC/C=C/C(CC)CCC[C@]1(C[C@@H]([C@@H](OO1)CC(=O)O)CC)CC is a marine-derived polyketide endoperoxide that exhibits strong inhibitory activity against the opportunistic fungal pathogens Candida albicans, Cryptococcus neoformans and Aspergillus fumigatus. It has a role as an antifungal agent and a marine metabolite. It is a monocarboxylic acid, an organic peroxide, a member of dioxanes and a polyketide.
The molecule C[C@H](CN)OP(O)(O)=O C[C@H](CN)OP(O)(O)=O is (R)-1-aminopropan-2-yl phosphate. It is a conjugate acid of (R)-1-ammoniopropan-2-yl phosphate(1-) . It is also related to or classified as 1-aminopropan-2-yl phosphate  .
The molecule N(c1ccccc1)c1ccc(Nc2ccccc2)cc1 N(c1ccccc1)c1ccc(Nc2ccccc2)cc1 is an N-substituted diamine that is 1,4-phenylenediamine in which one hydrogen from each amino group is replaced by a phenyl group. It has the role of antioxidant . Its functional parent is p-aminodiphenylamine . It is also related to or classified as N-substituted diamine , secondary amino compound .
The molecule Nc1ccc(Nc2ccccc2)cc1 Nc1ccc(Nc2ccccc2)cc1 is an aromatic amine that is the 4-amino derivative of diphenylamine. It has the role of allergen . Its functional parent is diphenylamine . It is also related to or classified as aromatic amine , secondary amino compound .
The molecule CC1=CC(=O)CC([C@@]1(/C=C/C(=C/C(=O)O)/C)O)(C)C is a 2-trans-abscisic acid with (R)-configuration at the chiral centre. It is a conjugate acid of a (R)-2-trans-abscisate. It is an enantiomer of a (S)-2-trans-abscisic acid.
The molecule C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3=NC4=CC=CC=C4S3)C(=O)N(C[C@H]1OC)C)C)CC5=CC=NC=C5 C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3=NC4=CC=CC=C4S3)C(=O)N(C[C@H]1OC)C)C)CC5=CC=NC=C5 is N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(pyridin-4-ylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,3-benzothiazole-2-carboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C1[C@@H]([C@H]2[C@@H](C3=NC4=C(N3[C@@H]1O2)N=C(NC4=O)N)OP(=O)(O)O)O is an organic heterotetracyclic compound obtained by intramolecular formation of a C-C bond between positions 8 and 5' of dGMP. It has a role as a Mycoplasma genitalium metabolite. It is a N-glycosyl compound, an aromatic amine, a bridged compound, an organic heterotetracyclic compound, a phosphate monoester and a secondary alcohol. It derives from a 2'-deoxyguanosine 5'-monophosphate.
The molecule C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CC3=CC=CC=C3)[C@@H](C)CO)C)CN(C)CC4=CC=NC=C4 C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CC3=CC=CC=C3)[C@@H](C)CO)C)CN(C)CC4=CC=NC=C4 is N-[(3S,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-phenylacetamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=C(ON=C3C)C)[C@@H](C)CO)C)CNC C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=C(ON=C3C)C)[C@@H](C)CO)C)CNC is 1-(3,5-dimethyl-4-isoxazolyl)-3-[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C[C@]1(CC([O-])=O)[C@H](CCC([O-])=O)C2=N/C1=C\c1[nH]c(Cc3[nH]c(Cc4[nH]c(C2)c(CC([O-])=O)c4CCC([O-])=O)c(CC([O-])=O)c3CCC([O-])=O)c(CCC([O-])=O)c1CC([O-])=O C[C@]1(CC([O-])=O)[C@H](CCC([O-])=O)C2=N/C1=C\c1[nH]c(Cc3[nH]c(Cc4[nH]c(C2)c(CC([O-])=O)c4CCC([O-])=O)c(CC([O-])=O)c3CCC([O-])=O)c(CCC([O-])=O)c1CC([O-])=O is octaanion of precorrin-1 arising from global deprotonation of the carboxy groups. It is also related to or classified as precorrin carboxylic acid anion .
The molecule C([C@@H]1[C@@H]([C@H](C(=O)O1)O)O)OP(=O)([O-])[O-] is an organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of D-xylono-1,4-lactone-5-phosphate. Major microspecies at pH 7.3. It is a conjugate base of a D-xylono-1,4-lactone-5-phosphate.
The molecule O=C1O[C@](C(=O)OC)(CC2=CC3=C(OC(C)(C)C(C3)OC(=O)C)C=C2)C(=C1O)C4=CC=C(OC(=O)C)C=C4 O=C1O[C@](C(=O)OC)(CC2=CC3=C(OC(C)(C)C(C3)OC(=O)C)C=C2)C(=C1O)C4=CC=C(OC(=O)C)C=C4 is 4',8''-diacetoxy butyrolactone VI. Its functional parent is tetracarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3CC3)C(=O)N(C[C@H]1OC)C)C)CC4=CC=CC=C4 C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3CC3)C(=O)N(C[C@H]1OC)C)C)CC4=CC=CC=C4 is N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(phenylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C[C@]12[C@H](CC3=CC4=C(C=C3[C@H]1N(CC5=C2C=CC6=C5OCO6)C)OCO4)O is a benzophenanthridine alkaloid that is chelidonine substituted by a methyl group at position 13. Isolated from the aerial parts of Corydalis incisa, it acts as an acetylcholinesterase inhibitor and also exhibits antineoplastic and hepatoprotective activity. It has a role as a metabolite, an EC 3.1.1.7 (acetylcholinesterase) inhibitor, an antineoplastic agent and a hepatoprotective agent. It is a member of isoquinolines, an organic heterohexacyclic compound, a secondary alcohol, a cyclic acetal and a benzophenanthridine alkaloid. It derives from a chelidonine.
The molecule O=C(O)C1=C(O)C=CC=C1C=O O=C(O)C1=C(O)C=CC=C1C=O is 6-formylsalicylic acid. Its functional parent is salicylic acid . It is also related to or classified as hydroxybenzoic acid .
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)C(=O)CN(C)C)C CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@@H]([C@H](CN(C2=O)C)OC)C)C(=O)CN(C)C)C is N-[(4R,7S,8R)-5-[2-(dimethylamino)-1-oxoethyl]-8-methoxy-4,7,10-trimethyl-11-oxo-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 CCC(=O)N1C[C@@H]([C@@H](CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C)OC[C@@H]1C)C)OC)C CCC(=O)N1C[C@@H]([C@@H](CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C)OC[C@@H]1C)C)OC)C is N-[(4S,7S,8S)-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]methanesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C[C@H]1C=CC2=CCCC[C@@H]2[C@H]1CC[C@@H]3C[C@H](CC(=O)O3)O is a member of 2-pyranones, a carbobicyclic compound, a member of hexahydronaphthalenes, a polyketide and a secondary alcohol. It has a role as a fungal metabolite, an anticholesteremic drug, an antilipemic drug, an antiatherosclerotic agent, an antimicrobial agent and an EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor.
The molecule C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)CC3=CC=NC=C3 C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)CC3=CC=NC=C3 is (3R,9R,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule [H][C@]12SCC(C[N+]3(C)CCCC3)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\c1csc(N)n1)C([O-])=O [H][C@]12SCC(C[N+]3(C)CCCC3)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\c1csc(N)n1)C([O-])=O is A cephalosporin bearing (1-methylpyrrolidinium-1-yl)methyl and (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido groups at positions 3 and 7, respectively, of the cephem skeleton. It has the role of antibacterial drug . It is also related to or classified as cephalosporin  . It is also related to or classified as oxime O-ether  .
The molecule CO/C=C(\\C1=CC=CC=C1COC2=CC=CC(=N2)C(F)(F)F)/C(=O)OC is an enoate ester that is the methyl ester of (2E)-3-methoxy-2-[2-({[6-(trifluoromethyl)pyridin-2-yl]oxy}methyl)phenyl]prop-2-enoic acid. A cereal fungicide used to control a wide range of diseases including brown rust, tan spot, powdery mildew and net blotch. It has a role as a mitochondrial cytochrome-bc1 complex inhibitor and an antifungal agrochemical. It is an aromatic ether, an enoate ester, an enol ether, an organofluorine compound, a member of pyridines and a methoxyacrylate strobilurin antifungal agent.
The molecule O=C(O)[C@H]1N=C(C=2NC3=C(C2C1)NC([C@H](C=4C5=C(C=CC=C5)NC4)[C@@H](O)CO)=C3)C O=C(O)[C@H]1N=C(C=2NC3=C(C2C1)NC([C@H](C=4C5=C(C=CC=C5)NC4)[C@@H](O)CO)=C3)C is Subtipyrroline C. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C1CN[C@@H](CN1)C(=O)[O-] is an alpha-amino-acid anion that is the conjugate base of piperazine-2-carboxylic acid. It is a conjugate base of a (S)-piperazine-2-carboxylic acid and a (S)-piperazine-2-carboxylic acid zwitterion. It is an enantiomer of a (R)-piperazine-2-carboxylate.
The molecule C=12C(=C3C(=C(C(=CC3=CC1C[C@H](OC2=O)C[C@@H](C[C@@H](CCCCC)O)O)OC)C4=C(C5=C(C=6C(O[C@@H](CC6C=C5C=C4OC)C[C@@H](C[C@@H](CCCCC)O)O)=O)O)O)O)O C=12C(=C3C(=C(C(=CC3=CC1C[C@H](OC2=O)C[C@@H](C[C@@H](CCCCC)O)O)OC)C4=C(C5=C(C=6C(O[C@@H](CC6C=C5C=C4OC)C[C@@H](C[C@@H](CCCCC)O)O)=O)O)O)O)O is i would ideally like to have both the M and the P atropisomer, but I don't know how to indicate atropisomerism. It is also related to or classified as organic molecular entity .
The molecule CC(C)[C@H](NC(=O)N(C)Cc1csc(n1)C(C)C)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1 CC(C)[C@H](NC(=O)N(C)Cc1csc(n1)C(C)C)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1 is an L-valine derivative that is L-valinamide in which alpha-amino group has been acylated by a [(2-isopropyl-1,3-thiazol-4-yl)methyl]methylcarbamoyl group and in which a hydrogen of the carboxamide amino group has been replaced by a (2R,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl group. A CYP3A inhibitor and antiretroviral drug from the protease inhibitor class used to treat HIV infection and AIDS, it is often used as a fixed-dose combination with another protease inhibitor, lopinavir. Also used in combination with dasabuvir sodium hydrate, ombitasvir and paritaprevir (under the trade name Viekira Pak) for treatment of chronic hepatitis C virus genotype 1 infection as well as cirrhosis of the liver. It has the role of HIV protease inhibitor . It has the role of xenobiotic . It has the role of antiviral drug . It has the role of environmental contaminant .  It is also related to or classified as carboxamide  . It is also related to or classified as carbamate ester , 1,3-thiazoles , ureas , L-valine derivative .
The molecule CC[C@H](C)[C@@H]([NH3+])C([O-])=O CC[C@H](C)[C@@H]([NH3+])C([O-])=O is A D-alpha-amino acid zwitterion resulting from a transfer of a proton from the carboxy group to the amino group of D-alloisoleucine; major species at pH 7.3. It is also related to or classified as D-alpha-amino acid zwitterion  .
The molecule C/C/1=C\\C[C@@H](/C(=C/C[C@H]([C@]([C@H]([C@@H]2[C@@H]([C@@H](C1)OC(=O)C)C(=C)C(=O)O2)O)(C)O)OC(=O)C)/C)OC(=O)C is a cembrane diterpenoid with cytotoxic activity isolated from the soft coral Lobophytum michaelae. It has a role as an antineoplastic agent and a coral metabolite. It is a gamma-lactone, an acetate ester, a cembrane diterpenoid, a macrocycle, a tertiary alcohol and a secondary alcohol.
The molecule O=C1C(OC)=CC(=O)C(=C1C)C2=C(O)C=C(OC)C(=C2C)OC O=C1C(OC)=CC(=O)C(=C1C)C2=C(O)C=C(OC)C(=C2C)OC is Peniquinone A. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule Clc1ccc2N=C3NC(=O)CN3Cc2c1Cl Clc1ccc2N=C3NC(=O)CN3Cc2c1Cl is A 1,5-dihydroimidazo[2,1-]quinazoline having an oxo substituent at the 2-position and chloro substituents at the 6- and 7-positions. It has the role of cardiovascular drug . It has the role of antifibrinolytic drug . It has the role of anticoagulant . It has the role of platelet aggregation inhibitor . It is also related to or classified as imidazoquinazoline .
The molecule C[C@@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)OC)C(=O)N(C[C@@H]1OC)C)C C[C@@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)OC)C(=O)N(C[C@@H]1OC)C)C is 1-(4-methoxyphenyl)-3-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-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 ONc1cccc2ccccc12 ONc1cccc2ccccc12 is N-hydroxynaphthalen-1-amine. Its functional parent is 1-naphthylamine . It is also related to or classified as N-substituted amine .
The molecule C[N+](C)(C)CCOS(=O)(=O)[O-] is an ammonium betaine that is the conjugate base of choline hydrogen sulfate, obtained by deprotonation of the sulfate OH group. It is an ammonium betaine and a member of choline sulfates. It is a conjugate base of a choline hydrogen sulfate.
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)CC3=CC=CC=N3 C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NS(=O)(=O)C)C(=O)N(C[C@H]1OC)C)C)CC3=CC=CC=N3 is N-[(5S,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-pyridinylmethyl)-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 CC[C@@]12C=CCN3[C@@H]1[C@]4(CC3)[C@H]([C@]([C@@H]2OC(=O)C)(C(=O)OC)O)N(C5=C4C=CC(=C5)OC)C is a vinca alkaloid, an alkaloid ester, an organic heteropentacyclic compound, a methyl ester, an acetate ester, a tertiary amino compound and a tertiary alcohol. It is a conjugate base of a vindolinium(1+).
The molecule O=CC1=C(OC)C(=C(O)C=C1C)C O=CC1=C(OC)C(=C(O)C=C1C)C is 6-dimethyl-4-hydrxy-2-methoxybenzaldehyde (. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule [NH3+]CC(=O)NC(C(=O)[O-])=CC=1C=CC=CC1 [NH3+]CC(=O)NC(C(=O)[O-])=CC=1C=CC=CC1 is A dipeptide zwitterion consisting of a glycine attached to a dehydrophenylalanine. Major structure at pH 7.3. It is also related to or classified as dipeptide zwitterion  .
The molecule C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)CC3CC3 C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)CC3CC3 is 1-[(3S,9R,10S)-9-[[cyclopropylmethyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-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 C1=CC(=C(C(=C1O)[O-])[N+]([O-])=O)C C1=CC(=C(C(=C1O)[O-])[N+]([O-])=O)C is A phenolate anion resulting from the deprotonation of the hydroxy group that is ortho to the nitro group of 4-methyl-3-nitrocatechol; the major microspecies at pH 7.3. It is also related to or classified as phenolate anion .
The molecule CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@H]([C@H](CN([C@H](CO2)C)C(=O)CC3CC3)C)OC)C CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@H]([C@H](CN([C@H](CO2)C)C(=O)CC3CC3)C)OC)C is N-[(5S,6S,9S)-8-(2-cyclopropyl-1-oxoethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-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 CCCCCCCCCC(=O)OCC(COP(=O)([O-])[O-])OC(=O)CCCCCCCCC is a phosphatidate(2-) obtained by deprotonation of both phosphate OH groups of didecanoylphosphatidic acid; major species at pH 7.3. It is a conjugate base of a didecanoylphosphatidic acid.
The molecule CCC(=O)N1C[C@H]([C@H](CN(C(=O)C2=C(C=C(C=C2)NC(=O)NC3=CC(=CC=C3)F)OC[C@H]1C)C)OC)C CCC(=O)N1C[C@H]([C@H](CN(C(=O)C2=C(C=C(C=C2)NC(=O)NC3=CC(=CC=C3)F)OC[C@H]1C)C)OC)C is 1-(3-fluorophenyl)-3-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(1-oxopropyl)-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 CC(=NO)C(O)=O CC(=NO)C(O)=O is an oxime obtained via formal condensation of pyruvic acid with hydroxylamine. It is a conjugate acid of pyruvate oxime . It is also related to or classified as ketoxime  .
The molecule C1=CC=C(C(=C1C)[N+]([O-])=O)[N+]([O-])=O C1=CC=C(C(=C1C)[N+]([O-])=O)[N+]([O-])=O is A dinitrotoluene that is toluene in which the hydrogens at positions 2 and 3 have been replaced by nitro groups. It has the role of explosive . It is also related to or classified as dinitrotoluene .
The molecule [C@]12(N(C(=C(CS1)C[N+]34CCC(CC3)(C(=O)N)CC4)C([O-])=O)C([C@H]2NC(=O)/C(/C5=NSC(=N5)N)=N\OC)=O)[H] [C@]12(N(C(=C(CS1)C[N+]34CCC(CC3)(C(=O)N)CC4)C([O-])=O)C([C@H]2NC(=O)/C(/C5=NSC(=N5)N)=N\OC)=O)[H] is A fourth-generation cephalosporin antibiotic having (4-carbamoyl-1-azoniabicyclo[2.2.2]octan-1-yl)methyl and [(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino side groups located at positions 3 and 7 respectively. It is also related to or classified as cephalosporin  . It is also related to or classified as thiadiazoles .
The molecule C[C@@H]1C[C@@H]([C@H]([C@H](O1)OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)[NH+](C)C is a nucleotide-sugar oxoanion that is the conjugate base of dTDP-alpha-D-desosamine, arising from deprotonation of the diphosphate group and protonation of the amino group. It is a conjugate base of a dTDP-alpha-D-desosamine.
The molecule C1(=CC(=CC(=C1O)[N+]([O-])=O)C)O C1(=CC(=CC(=C1O)[N+]([O-])=O)C)O is A methylcatechol that is 3-nitrocatechol carrying a methyl substituent at position 5. It is also related to or classified as methylcatechol , nitrotoluene .
The molecule Oc1ccc(cc1-n1c2ccc(cc2[nH]c1=O)C(F)(F)F)C(F)(F)F Oc1ccc(cc1-n1c2ccc(cc2[nH]c1=O)C(F)(F)F)C(F)(F)F is A member of the class of benzimidazoles that is 1,3-dihydro-2H-benzimidazol-2-one in which the hydrogens at positions 1 and 5 are replaced are replaced by 2-hydroxy-5-(trifluoromethyl)phenyl and trifluoromethyl groups, respectively. It is an opener/activator of the large-conductance calcium-activated potassium channel (Bkca). It has the role of potassium channel opener .  It is also related to or classified as phenols  . It is also related to or classified as benzimidazoles , (trifluoromethyl)benzenes .
The molecule [Li+].[Li+].[O-]S(=O)(=O)[O-] is a metal sulfate in which the counterion is lithium and the ratio of lithium to sulfate is 2:1. It has a role as an antidepressant. It contains a lithium(1+).
The molecule Cl[C@H]1C(O[C@]2(C(=O)C=3C(=[N+]=N)C(O)=CC(C3C([C@]2(C1)C)=O)=O)C/C=C(/CCC=C(C)C)\C)(C)C Cl[C@H]1C(O[C@]2(C(=O)C=3C(=[N+]=N)C(O)=CC(C3C([C@]2(C1)C)=O)=O)C/C=C(/CCC=C(C)C)\C)(C)C is 7-Demethyl SF2415A3. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
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)C(=O)CC3=CC=CC=N3 C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)COC)C(=O)N(C[C@@H]1OC)C)C)C(=O)CC3=CC=CC=N3 is 2-methoxy-N-[(5R,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[1-oxo-2-(2-pyridinyl)ethyl]-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=C(C(=CC=C1C)[N+]([O-])=O)[N+](=O)[O-] C1=C(C(=CC=C1C)[N+]([O-])=O)[N+](=O)[O-] is A dinitrotoluene in which the methyl group is meta to one of the nitro groups and para to the other. A uellow crystalline compound that is virtually insoluble in water but dissolves in most organic solvents. It has the role of explosive . It is also related to or classified as dinitrotoluene .
The molecule CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2[C@H]([C@@H]([C@H](O[C@@H]2OC[C@@H]3[C@H]([C@@H]([C@H](C(O3)O)O)O)O)CO)O)O)CO)O)O is an amino trisaccharide consisting of 2-acetamido-2-deoxy-beta-D-glucopyranose, alpha-D-mannopyranose and D-glucopyranose residues joined in sequence by (1->2) and (1->6) glycosidic bonds. It is an amino trisaccharide and a member of acetamides.
The molecule C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@@H](C)CO)C)CN(C)C(=O)CCC(F)(F)F C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@@H](C)CO)C)CN(C)C(=O)CCC(F)(F)F is 4,4,4-trifluoro-N-[[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-16-(methanesulfonamido)-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C=1(C(=C(C=CC1O)C)Cl)O C=1(C(=C(C=CC1O)C)Cl)O is A chlorocatechol that is catechol which is substituted by a chlorine at position 3 and a methyl group at position 4. Its functional parent is 4-methylcatechol . It is also related to or classified as chlorocatechol , methylcatechol , monochlorobenzenes .
The molecule [H][C@]12SCC(C=C)=C(N1C(=O)[C@H]2NC(=O)C(=N/OCC(O)=O)\c1csc(N)n1)C(O)=O [H][C@]12SCC(C=C)=C(N1C(=O)[C@H]2NC(=O)C(=N/OCC(O)=O)\c1csc(N)n1)C(O)=O is A third-generation cephalosporin antibiotic bearing vinyl and (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(carboxymethoxy)imino]acetamido groups at positions 3 and 7, respectively, of the cephem skeleton. It is used in the treatment of gonorrhoea, tonsilitis, pharyngitis, bronchitis, and urinary tract infections. It has the role of antibacterial drug . It has the role of drug allergen . It is also related to or classified as cephalosporin  .
The molecule [Cu++] [Cu++] is an ion of copper carrying a double positive charge. It has the role of cofactor .  It is also related to or classified as monoatomic dication  . It is also related to or classified as copper cation , divalent metal cation .
The molecule CN\\1C2=CC=CC=C2O/C1=C\\C=C\\C3=CC=[N+](C=C3)CCC[N+](C)(C)C.[I-].[I-] is a cyanine dye and an organic iodide salt. It has a role as a fluorochrome. It contains a Po-Pro-3(2+).
The molecule C1(=C(C=CC(=C1)[N+](=O)[O-])C)Cl C1(=C(C=CC(=C1)[N+](=O)[O-])C)Cl is A nitrotoluene that is p-nitrotoluene in which one of the hydrogens that is ortho to the methyl group has been replaced by a chlorine. A pale yellow crystalline compound that is insoluble in water but dissolves in most organic solvents, it is used in the manufacture of dyes. It is also related to or classified as nitrotoluene , monochlorobenzenes .
The molecule C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)C(=O)NC3=CC=CC=C3 C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)C(=O)NC3=CC=CC=C3 is 1-[[(3S,9R,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-phenylurea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C1[C@@H]([C@@H]([C@H](C(O1)OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)O is a nucleotide-sugar oxoanion arising from deprotonation of the diphosphate OH groups of UDP-L-arabinose; major species at pH 7.3. It is a conjugate base of an UDP-L-arabinose.
The molecule [H]C(=CCl)C([O-])=O [H]C(=CCl)C([O-])=O is A monocarboxylic acid anion that results from the removal of a proton from the carboxylic acid group of 3-chloroacrylic acid. It is also related to or classified as monocarboxylic acid anion  .