anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CC1=CC=C(O1)C=CC(=O)NC2=NC(=C(S2)C(=O)OC)C CC1=CC=C(O1)C=CC(=O)NC2=NC(=C(S2)C(=O)OC)C is 4-methyl-2-[[3-(5-methyl-2-furanyl)-1-oxoprop-2-enyl]amino]-5-thiazolecarboxylic acid methyl ester. It is also related to or classified as aromatic carboxylic acid , thiazoles .
The molecule C1=C[C@H]([C@H](O[C@H]1CC(=O)NCCC2=CC=NC=C2)CO)NC(=O)C3=CC=C(C=C3)F C1=C[C@H]([C@H](O[C@H]1CC(=O)NCCC2=CC=NC=C2)CO)NC(=O)C3=CC=C(C=C3)F is 4-fluoro-N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]benzamide. It is also related to or classified as organohalogen compound  . It is also related to or classified as carbonyl compound .
The molecule C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)O)O is a nucleotide-sugar oxoanion obtained by deprotonation of the diphosphate OH groups of TDP-beta-L-rhamnose; major species at pH 7.3. It has a role as a bacterial metabolite. It is a conjugate base of a TDP-beta-L-rhamnose.
The molecule CC1=CC2=C(C(=C1C3=C4C(=C(C=C3C)O)C(=O)C5=C(C4=O)C=CC(=C5O)O)O)C(=O)C6=C(C2=O)C=CC(=C6O)O is a bianthracene homodimer composed of two nataloe-emodin moieties linked by an aryl-aryl bond. It is a secondary metabolite isolated from the fungal tomato pathogen Cladosporium fulvum. It has a role as a biological pigment and a fungal metabolite. It is a trihydroxyanthraquinone, a polyphenol and a member of bianthracenes. It derives from a nataloe-emodin. It is a conjugate acid of a cladofulvin(2-).
The molecule CCN1\C(SC2=CC=C(O)C=C12)=C\C(C)=O CCN1\C(SC2=CC=C(O)C=C12)=C\C(C)=O is A member of the class of benzothiazoles that is 2,3-dihydro-1,3-benzothiazole substituted by 2-oxopropylidene, ethyl, and hydroxy groups at positions 2, 3 and 5, respectively. It is an ATP-competitive inhibitor of Dyrk1A and Dyrk1B (IC50 of 0.24 muM and 0.23 muM, respectively). It has the role of EC 2.7.12.1 (dual-specificity kinase) inhibitor . It has the role of antineoplastic agent . It has the role of drug metabolite .   It is also related to or classified as enone  . It is also related to or classified as organic hydroxy compound , benzothiazoles .
The molecule CCCCCC/C=C\\CCCCCCCC(=O)OC(CCCCC)CCCCCCCCCCCC(=O)[O-] is a mnocarboxylic acid anion that is the conjugate base of 13-[(9Z)-hexadecenoyloxy]octadecanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of a 13-[(9Z)-hexadecenoyloxy]octadecanoic acid.
The molecule O1[C@@H]([C@@H](OC(=O)/C=C/C2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1OC3=C(OC=4C(C3=O)=C(O)C=C(O)C4)C5=CC(OC)=C(O)C(OC)=C5)CO O1[C@@H]([C@@H](OC(=O)/C=C/C2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1OC3=C(OC=4C(C3=O)=C(O)C=C(O)C4)C5=CC(OC)=C(O)C(OC)=C5)CO is Tetrahydroxy-dimethoxy-flavone (syringetin) p-coumaroyl-hexoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule C[C@H](O)[C@H](C)C([O-])=O C[C@H](O)[C@H](C)C([O-])=O is A 2-methyl-3-hydroxybutyrate that has (2S,3S)-configuration. It is also related to or classified as 2-methyl-3-hydroxybutyrate  .
The molecule C1(=CNC2=C1C=CC=C2)C[C@@H](C(=O)[O-])NC(=O)N C1(=CNC2=C1C=CC=C2)C[C@@H](C(=O)[O-])NC(=O)N is an N-carbamoyl-L-alpha-amino acid anion obtained by deprotonation of the carboxy group of N-carbamoyl-L-tryptophan; major microspecies at pH 7.3. It is also related to or classified as N-carbamoyl-L-alpha-amino acid anion  .
The molecule C1=CC=C(C=C1)C(=O)OC[C@@]2(C=C[C@@H]([C@H]([C@@H]2O)O)OC(=O)C3=CC=CC=C3)O is a benzoate ester that is the diester obtained by the formal condensation of two molecules of benzoic acid with the hydroxymethyl group at position 1 and the hydroxy group at position 4 of 1-(hydroxymethyl)cyclohex-5-ene-1,2,3,4-tetrol the (1S,4R,5S,6S stereoisomer). Isolated from the leaves of Uvaria kweichowensis, it exhibits antitumour activity. It has a role as a metabolite and an antineoplastic agent. It is a benzoate ester and a triol. It derives from a hydride of a cyclohexene.
The molecule O[C@@H]1[C@@H](NC(C)=O)[C@H](O[C@H]2[C@@H](O)[C@@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)O[C@@H](O[C@H]4[C@H](O)[C@@H](O)C(O)O[C@@H]4CO)[C@@H]2O)O[C@H](CO)[C@H]1O O[C@@H]1[C@@H](NC(C)=O)[C@H](O[C@H]2[C@@H](O)[C@@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)O[C@@H](O[C@H]4[C@H](O)[C@@H](O)C(O)O[C@@H]4CO)[C@@H]2O)O[C@H](CO)[C@H]1O is intermediate in milk oligosaccharide biosynthesis. It is also related to or classified as organic molecular entity .
The molecule CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)C(=O)O)O)N is a UDP-amino sugar having 2-acetamido-3-amino-2,3-dideoxy-alpha-D-glucuronic acid as the amino sugar component. It derives from a D-glucuronic acid. It is a conjugate acid of an UDP-2-acetamido-3-ammonio-2,3-dideoxy-alpha-D-glucuronate(2-).
The molecule c1ccc2cscc2c1 c1ccc2cscc2c1 is A benzothiophene in which the benzene ring is fused to the thiophene ring across positions 3 and 4. It is also related to or classified as benzothiophene  . It is also related to or classified as 2-benzothiophenes .
The molecule O1[C@@H](O[C@H]([C@H](O)[C@@H](O)CO)[C@H](O)CO)[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO O1[C@@H](O[C@H]([C@H](O)[C@@H](O)CO)[C@H](O)CO)[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO is A glycosyl alditol consisting of beta-D-galactopyranose and D-galactitol residues joined in sequence by a (1->4) glycosidic bond. Its functional parent is galactitol . Its functional parent is beta-D-galactose . It is also related to or classified as glycosyl alditol .
The molecule CN1CC[C@H]2CC[C@@H]([C@@H](O2)COC3=C(C=CC=C3C(=O)N(CCCC1=O)C)C#N)OC CN1CC[C@H]2CC[C@@H]([C@@H](O2)COC3=C(C=CC=C3C(=O)N(CCCC1=O)C)C#N)OC is LSM-37488. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCCCC/C=C\\C/C=C\\CC(C(C/C=C\\CCCC(=O)O)O)O is a DHET obtained by formal dihydroxylation across the 8,9-double bond of arachidonic acid. It has a role as a mouse metabolite. It is a DHET, a secondary allylic alcohol and a diol. It is a conjugate acid of a (5Z,11Z,14Z)-8,9-dihydroxyicosatrienoate.
The molecule [C@@H]1(N2C=3C(=C(N=CN3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(/C=C/CCC([O-])=O)=O)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O [C@@H]1(N2C=3C(=C(N=CN3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(/C=C/CCC([O-])=O)=O)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O is an acyl-CoA oxoanion arising from deprotonation of phosphate, diphosphate and carboxylic acid functions of trans-2,3-dehydroadipyl-CoA. It is also related to or classified as 2,3-didehydroadipoyl-CoA(5-)  .
The molecule CCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CC)OC(=O)CCCCCCC/C=C\\C/C=C\\CCCCC is a triacylglycerol 52:7 in which the acyl groups at positions 1, 2 and 3 are specified as tetradecanoyl, (9Z,12Z)-octadecadienoyl and (5Z,8Z,11Z,14Z,17Z)-icosapentaenoyl respectively. It has a role as a human xenobiotic metabolite.
The molecule OC1OC(=O)c2ccccc12 OC1OC(=O)c2ccccc12 is A 2-benzofuran having oxo and hydroxy groups at the 1- and 3-positions respectively. It is also related to or classified as carbon oxoacid , 2-benzofurans .
The molecule [C@@H]1(N2C3=C(C(N)=NC=N3)N=C2)O[C@H]4[C@H]([C@H]1O)OP(=O)([O-])OC[C@H]5O[C@@H](N6C7=C(C(N)=NC=N7)N=C6)[C@@H]([C@@H]5OP([O-])(=O)OC[C@H]8O[C@@H](N9C%10=C(C(N)=NC=N%10)N=C9)[C@@H]([C@@H]8OP(OC4)(=O)[O-])O)O [C@@H]1(N2C3=C(C(N)=NC=N3)N=C2)O[C@H]4[C@H]([C@H]1O)OP(=O)([O-])OC[C@H]5O[C@@H](N6C7=C(C(N)=NC=N7)N=C6)[C@@H]([C@@H]5OP([O-])(=O)OC[C@H]8O[C@@H](N9C%10=C(C(N)=NC=N%10)N=C9)[C@@H]([C@@H]8OP(OC4)(=O)[O-])O)O is an organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of cyclic A(3'-5')pA(3'-5')pA(3'-5')p; major species at pH 7.3.  It is also related to or classified as oligonucleotide  . It is also related to or classified as organophosphate oxoanion , cyclic compound .
The molecule C1=CC=C(C(=C1)CNC(=O)C[C@H]2C=C[C@H]([C@@H](O2)CO)NC(=O)C3=NC=CN=C3)F C1=CC=C(C(=C1)CNC(=O)C[C@H]2C=C[C@H]([C@@H](O2)CO)NC(=O)C3=NC=CN=C3)F is N-[(2R,3R,6S)-6-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-2-pyrazinecarboxamide. It is also related to or classified as secondary carboxamide  . It is also related to or classified as pyrazines .
The molecule CC(C)CC#CC1=CC=C(C=C1)[C@H]2[C@@H]3CN(CCCCN3[C@@H]2CO)C(=O)CC4=CC=CC=N4 CC(C)CC#CC1=CC=C(C=C1)[C@H]2[C@@H]3CN(CCCCN3[C@@H]2CO)C(=O)CC4=CC=CC=N4 is 1-[(8R,9S,10S)-10-(hydroxymethyl)-9-[4-(4-methylpent-1-ynyl)phenyl]-1,6-diazabicyclo[6.2.0]decan-6-yl]-2-(2-pyridinyl)ethanone. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule O=C(SCCNC(=O)C)CCCCCCCCCCCCCCC O=C(SCCNC(=O)C)CCCCCCCCCCCCCCC is S-palmitoyl-N-acetylcysteamine.  It is also related to or classified as thioester  . It is also related to or classified as acetamides .
The molecule CC1=CC=C(C=C1)C(=O)C2=CC=C(N2C)CC(=O)O is a monocarboxylic acid that is (1-methylpyrrol-2-yl)acetic acid substituted at position 5 on the pyrrole ring by a 4-methylbenzoyl group. Used in the form of its sodium salt dihydrate as a nonselective nonsteroidal anti-inflammatory drug. It has a role as a non-steroidal anti-inflammatory drug and an EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor. It is a member of pyrroles, a monocarboxylic acid and an aromatic ketone. It is a conjugate acid of a tolmetin(1-).
The molecule CCCCCCCCCCCCCCCCCC(=O)NCCOP(=O)([O-])OC[C@@H](COC(=O)CCCCCCC/C=C\\CCCCCCCC)O is an N-acyllysophosphatidylethanolamine(1-) in which the N-acyl group is specified as stearoyl (octadecanoyl) while the phosphatidyl acyl group is specified as oleoyl (9Z-octadecenoyl); major species at pH 7.3. It is a conjugate base of a N-stearoyl-1-oleoyl-sn-glycero-3-phosphoethanolamine.
The molecule CC(=O)CC(c1ccc(cc1)[N+]([O-])=O)c1c(O)c2ccccc2oc1=O CC(=O)CC(c1ccc(cc1)[N+]([O-])=O)c1c(O)c2ccccc2oc1=O is A hydroxycoumarin that is warfarin in which the hydrogen at position 4 of the phenyl substituent is replaced by a nitro group. It has the role of anticoagulant . It has the role of EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor . It is also related to or classified as C-nitro compound , hydroxycoumarin , methyl ketone .
The molecule COC(=O)C(\C)=C\[C@@H]1[C@@H](C(=O)O[C@H]2CC(=O)C(C\C=C/C)=C2C)C1(C)C COC(=O)C(\C)=C\[C@@H]1[C@@H](C(=O)O[C@H]2CC(=O)C(C\C=C/C)=C2C)C1(C)C is cinerin II. It is also related to or classified as methyl ester  . It is also related to or classified as pyrethrins  .
The molecule CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1=CNC=N1)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1=CNC=N1)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O is A thirteen amino acid peptide hormone consisting of N-acetyl-L-Ser, L-Tyr, L-Ser, L-Met, L-Glu, L-His, L-Phe, L-Arg, L-Trp, Gly, L-Lys, L-Pro and L-valinamide units joined in sequence by peptide linkages. It is an endogenous melanocortin receptor agonist that exhibits anti-inflammatory activity. It has the role of anti-inflammatory agent . It is also related to or classified as peptide hormone .
The molecule CCCCCC(CCCCCCCCCCCC(=O)O)O is a hydroxyoctadecanoic acid in which the hydroxy substituent is located at position 13. It is a conjugate acid of a 13-hydroxyoctadecanoate.
The molecule C[N+](C)(C)C(CCC(=O)[O-])OC(=O)CCCCCCCCCCC(=O)O is an O-acylcarnitine having 11-carboxyundecanoyl as the acyl substituent. It has a role as a metabolite. It derives from a dodecanedioic acid.
The molecule C1=CC=C(C(=C1)CNC(=O)C[C@H]2C=C[C@@H]([C@H](O2)CO)NC(=O)C3=NC=CN=C3)F C1=CC=C(C(=C1)CNC(=O)C[C@H]2C=C[C@@H]([C@H](O2)CO)NC(=O)C3=NC=CN=C3)F is N-[(2S,3S,6S)-6-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-2-pyrazinecarboxamide. It is also related to or classified as secondary carboxamide  . It is also related to or classified as pyrazines .
The molecule CC=CC1=CC=C(C=C1)[C@@H]2[C@@H](N(C23CN(C3)C(=O)C4=CC=C(C=C4)F)C(=O)C)CO CC=CC1=CC=C(C=C1)[C@@H]2[C@@H](N(C23CN(C3)C(=O)C4=CC=C(C=C4)F)C(=O)C)CO is LSM-37494. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule CC(C)NC(=O)N1[C@@H]([C@@H](C12CN(C2)C(=O)CC3=CN=CC=C3)C4=CC=CC=C4)CO CC(C)NC(=O)N1[C@@H]([C@@H](C12CN(C2)C(=O)CC3=CN=CC=C3)C4=CC=CC=C4)CO is (2S,3S)-2-(hydroxymethyl)-6-[1-oxo-2-(3-pyridinyl)ethyl]-3-phenyl-N-propan-2-yl-1,6-diazaspiro[3.3]heptane-1-carboxamide. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule O=C(OCC(=O)COP(=O)([O-])[O-])CC(=O)CCCCC(C)C O=C(OCC(=O)COP(=O)([O-])[O-])CC(=O)CCCCC(C)C is major species at pH 7.3. It is also related to or classified as 2-oxo-3-(phosphooxy)propyl medium-chain 3-oxoalkanoate  .
The molecule NC(CF)CCC(N)C(O)=O NC(CF)CCC(N)C(O)=O is an ornithine derivative in which one of the hydrogens at position 5 is replaced by a fluoromethyl group. It is an irreversible inhibitor of ornithine aminotransferase. It has the role of EC 2.6.1.13 (ornithine aminotransferase) inhibitor .  It is also related to or classified as organofluorine compound  . It is also related to or classified as ornithine derivative .
The molecule C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O)NC(=O)C)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)C)O)O)O is an amino trisaccharide that is 2-acetamido-2-deoxy-alpha-D-glucopyranose in which the hydroxy groups at positions 4 and 6 have been converted into the corresponding 2-acetamido-2-deoxy-alpha-D-glucopyranosy and beta-L-fucopyranosyl derivatives, respectively. It is an amino trisaccharide, a member of acetamides and a glucosamine oligosaccharide.
The molecule CC(C(C1CN=C2C(N1)(C(=O)NC(=N2)N)O)O)O is a tetrahydropterin that is 5,6,7,8-tetrahydrobiopterin carrying an additional hydroxy substituent at the 4a-position. It has a role as a human metabolite. It is a tetrahydropterin and a hemiaminal. It derives from a 5,6,7,8-tetrahydrobiopterin.
The molecule COC1=CC=C(C=C1O)C1=CC(=O)C2=C(O)C=C(O)C=C2O1 COC1=CC=C(C=C1O)C1=CC(=O)C2=C(O)C=C(O)C=C2O1 is A monomethoxyflavone that is the 4'-methyl ether derivative of luteolin. It is a natural product isolated from citrus fruits which exhibits a range of pharmacological activities. It has the role of tropomyosin-related kinase B receptor agonist . It has the role of antioxidant . It has the role of antineoplastic agent . It has the role of vasodilator agent . It has the role of angiogenesis inhibitor . It has the role of bone density conservation agent . It has the role of anti-inflammatory agent . It has the role of apoptosis inducer . It has the role of plant metabolite . It has the role of cardioprotective agent . Its functional parent is luteolin . It is a conjugate acid of diosmetin-7-olate . It is also related to or classified as monomethoxyflavone  .  It is also related to or classified as 3'-hydroxyflavonoid  . It is also related to or classified as trihydroxyflavone .
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 trans-Resveratrol 4'-O-glucuronide. It is also related to or classified as glycoside  . It is also related to or classified as stilbenoid .
The molecule Cl[Cu]Cl Cl[Cu]Cl is an inorganic chloride of copper in which the metal is in the +2 oxidation state. It has the role of EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor . It is also related to or classified as copper molecular entity , inorganic chloride .
The molecule C1=C[C@H]([C@H](C(=C1)CCC(=O)O)O)O is a 3-(cis-5,6-dihydroxycyclohexa-1,3-dienyl)propanoic acid. It is a conjugate acid of a 3-[(5R,6S)-5,6-dihydroxycyclohexa-1,3-dienyl]propanoate. It is an enantiomer of a 3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dienyl]propanoic acid.
The molecule CN(C)CCC1=CC=CC=C1N=NC1=CC=C(O)C(O)=C1 CN(C)CCC1=CC=CC=C1N=NC1=CC=C(O)C(O)=C1 is an azobenzene whose structure comprises of benzene-1,2-diol and N,N-dimethyl-2-phenylethanamine linked by a N=N double bond. It is a photoswitchable dopamine agonist. It has the role of dopamine agonist . It is also related to or classified as azobenzenes  . It is also related to or classified as catechols  . It is also related to or classified as tertiary amino compound .
The molecule C[C@H]1[C@@H](C[C@H]([C@@H](O1)OCCCCCCCCCCCCCCC/C=C/C(=O)O)O)O is an omega-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (2E)-18-hydroxyoctadec-2-enoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans. It has a role as a Caenorhabditis elegans metabolite. It is an alpha,beta-unsaturated monocarboxylic acid and an omega-hydroxy fatty acid ascaroside. It derives from a (2E)-18-hydroxyoctadec-2-enoic acid. It is a conjugate acid of an oscr#31(1-).
The molecule C1=C[C@H]([C@H](O[C@@H]1CC(=O)NCCC2=CC=NC=C2)CO)NC(=O)C3=CC=C(C=C3)F C1=C[C@H]([C@H](O[C@@H]1CC(=O)NCCC2=CC=NC=C2)CO)NC(=O)C3=CC=C(C=C3)F is 4-fluoro-N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]benzamide. It is also related to or classified as organohalogen compound  . It is also related to or classified as carbonyl compound .
The molecule [Cl-].CCC[NH2+]C(C)C(=O)Nc1ccccc1C [Cl-].CCC[NH2+]C(C)C(=O)Nc1ccccc1C is the monohydrochloride salt of prilocaine. It has the role of local anaesthetic . It is also related to or classified as hydrochloride .
The molecule CCC(=O)C1C(=O)CC(CC1=O)C(=O)O is a 4-oxo monocarboxylic acid that is cyclohexanecarboxylic acid which is substituted by oxo groups at positions 3 and 5, and by a propanoyl group at position 4. A plant growth regulator, it is used (commonly as the corresponding calcium salt, known as prohexadione-calcium) as an anti-lodging agent in small-grain cereals. It has a role as an agrochemical, a plant growth regulator and a gibberellin biosynthesis inhibitor. It is a 4-oxo monocarboxylic acid and a beta-triketone. It is a conjugate acid of a prohexadione(2-).
The molecule OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O[C@@H]4[C@@H](CO)O[C@@H](O[C@@H]5[C@@H](CO)OC(O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O[C@@H]4[C@@H](CO)O[C@@H](O[C@@H]5[C@@H](CO)OC(O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O is A pentasaccharide comprised of five D-glucose residues connected by beta(1->4) linkages. It is also related to or classified as pentasaccharide .
The molecule C1=CC=C(C(=C1)CNC(=O)C[C@H]2C=C[C@@H]([C@@H](O2)CO)NC(=O)C3=NC=CN=C3)F C1=CC=C(C(=C1)CNC(=O)C[C@H]2C=C[C@@H]([C@@H](O2)CO)NC(=O)C3=NC=CN=C3)F is N-[(2R,3S,6S)-6-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-2-pyrazinecarboxamide. It is also related to or classified as secondary carboxamide  . It is also related to or classified as pyrazines .
The molecule OC(S)=S OC(S)=S is carbonodithioic O,S-acid. It is also related to or classified as carbonodithioic acid , one-carbon compound .
The molecule [H]C(=CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)c1ccccc1 [H]C(=CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)c1ccccc1 is an acyl-CoA(4-) that is the tetraanion of cinnamoyl-CoA, arising from deprotonation of phosphate and diphosphate functions. It is also related to or classified as acyl-CoA(4-)  .
The molecule CC[C@@H]1[C@@]([C@H]2[C@H]([C@H]([C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)(C)O)C)N[C@H](O2)COCCOC)C)(C)O is the hemi-aminal resulting from the condensation of the erythromycin derivative (9S)-erythromycyclamine with 2-(2-methoxyethoxy)acetaldehyde. As the oxazine ring containing the hemi-aminal group is unstable under both acidic and alkaline conditions, dirithromycin functions as a more lipid-soluble prodrug for (9S)-erythromycyclamine. Administered as enteric coated tablets to protect it from acid catalysed hydrolysis in the stomach, it is used to treat respiratory tract, skin, and soft tissue infections caused by susceptible organisms. It has a role as a prodrug.
The molecule [Zn+2].S(O[H])(=O)(=O)C1=C(C2=C(C=3[N-]C2=NC4=NC(=NC=5[N-]C(N=C6N=C(N3)C7=C6C(=C(C(S(O[H])(=O)=O)=C7[H])[H])[H])=C8C5C(=C(C(S(O[H])(=O)=O)=C8[H])[H])[H])C9=C4C(=C(C(S(O[H])(=O)=O)=C9[H])[H])[H])C(=C1[H])[H])[H] [Zn+2].S(O[H])(=O)(=O)C1=C(C2=C(C=3[N-]C2=NC4=NC(=NC=5[N-]C(N=C6N=C(N3)C7=C6C(=C(C(S(O[H])(=O)=O)=C7[H])[H])[H])=C8C5C(=C(C(S(O[H])(=O)=O)=C8[H])[H])[H])C9=C4C(=C(C(S(O[H])(=O)=O)=C9[H])[H])[H])C(=C1[H])[H])[H] is ZN(II) Phthalocyanine tetrasulfonic acid. It is also related to or classified as organic molecular entity .
The molecule CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC/C=C/C4=CC5=CC=CC=C5N=C4)C)C)NC(=O)O2)C is a macrolide antibiotic which displays in vitro activity against both gram-positive and gram-negative bacteria and is currently under investigation for the treatment of community-acquired pneumonia. The US Food and Drug Administration (FDA) have also granted orphan drug designation to cethromycin for the treatment of anthrax prophylaxis, tularemia, and plague (PDB entry: 1NWX). It has a role as an antibacterial drug and a protein synthesis inhibitor. It is a macrolide antibiotic, a member of quinolines and a monosaccharide derivative.
The molecule NC(N)=[Se] NC(N)=[Se] is selenourea. Its functional parent is urea . It is also related to or classified as ureas , one-carbon compound .
The molecule O=C1[C@@]23C(=O)N[C@H]([C@@H]2[C@H](C)C(=C[C@@H]3C=C(CC[C@H](C(CC1)=O)O)C)C)CC(C)C O=C1[C@@]23C(=O)N[C@H]([C@@H]2[C@H](C)C(=C[C@@H]3C=C(CC[C@H](C(CC1)=O)O)C)C)CC(C)C is Aspochalasin P. It has the role of fungal metabolite . It is also related to or classified as cytochalasin .
The molecule CC\C=C\CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CC\C=C\CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 is tetraanion of trans-tetradec-11-enoyl-CoA arising from deprotonation of phosphate and diphosphate functions. It is also related to or classified as monounsaturated fatty acyl-CoA(4-)  .
The molecule O1[C@@H](O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO)[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO O1[C@@H](O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO)[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO is A glycosyl alditol consisting of a beta-D-galactopyranose residue and a D-mannitol residue joined in sequence by a (1->3) glycosidic bond. Its functional parent is D-mannitol . Its functional parent is beta-D-galactose . It is also related to or classified as glycosyl alditol .
The molecule [SeH]C([SeH])=[Se] [SeH]C([SeH])=[Se] is carbonotriselenoic acid. It is also related to or classified as chalcocarbonic acid , one-carbon compound .
The molecule C[S+](C)CC[C@@H](C(=O)[O-])[NH3+] is a sulfonium compound that is a tautomer of S-methyl-L-methionine, arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3. It is a tautomer of a S-methyl-L-methionine.