anonymous041/ChEBI-Augmented huggingface dataset:
The molecule O=C\1C[C@]2([C@]3([C@@]([C@@]4(C(CC3)=CC(=O)CC4)C)(CC[C@@]2(/C1=C\C)C)[H])[H])[H] O=C\1C[C@]2([C@]3([C@@]([C@@]4(C(CC3)=CC(=O)CC4)C)(CC[C@@]2(/C1=C\C)C)[H])[H])[H] is E-Guggulsterone. It has the role of androgen . It is also related to or classified as 3-hydroxy steroid .
The molecule C[C@H]1[C@@H](C[C@H]([C@@H](O1)O[C@H](C)CCCCCCCCCCCCC(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O is an ascarosyloxycarboxylic acid beta-D-glucopyranosyl ester resulting from the formal esterification of the carboxy group of ascr#26 with the anomeric hydroxy group of beta-D-glucopyranose. It is a metabolite of the nematode Caenorhabditis elegans. It has a role as a Caenorhabditis elegans metabolite. It is an (omega-1)-hydroxy fatty acid ascaroside and an ascarosyloxycarboxylic acid beta-D-glucopyranosyl ester. It derives from an ascr#26.
The molecule C1(C)(C)CCC(C(=C1\C=C\C(=C\C=C\C(=C\C(=O)O)\C)\C)CO)=O C1(C)(C)CCC(C(=C1\C=C\C(=C\C=C\C(=C\C(=O)O)\C)\C)CO)=O is A retinoid that consists of all-trans-retinoic acid carrying an oxo substituent at position 4 and a hydroxy substituent at position 18. Its functional parent is all-trans-retinoic acid . It is a conjugate acid of all-trans-4-oxo-18-hydroxyretinoate . It is also related to or classified as retinoid  .   It is also related to or classified as enone  . It is also related to or classified as hydroxy monocarboxylic acid , oxo monocarboxylic acid .
The molecule N(C(CCC)=O)C=1SC(=NN1)S(N)(=O)=O N(C(CCC)=O)C=1SC(=NN1)S(N)(=O)=O is butazolamide. It is also related to or classified as sulfonamide  . It is also related to or classified as thiadiazoles .
The molecule C[C@]1(C2=C(C(=CC=C2)O)C(=O)C3=C1[C@@H]([C@H]4[C@@H](C(=O)C(=C([C@]4(C3=O)O)O)C(=O)N)N(C)C)O)O is a member of the class of tetracyclines with formula C22H22N2O9 that is an intermediate in the biosynthesis of oxytetracycline by Streptomyces rimosus. It has a role as a bacterial metabolite. It is a tautomer of a 5a,11a-dehydrooxytetracycline zwitterion.
The molecule CNC1=CC(=O)C2=C(C)NC=C2C1=O CNC1=CC(=O)C2=C(C)NC=C2C1=O is A member of the class of isoindoles that is 4,7-dihydro-2H-isoindole substituted by methyl, oxo, methylamino, and oxo groups at positions 1, 4, 5, and 7, respectively. It is produced by heterologous expression of the fluostatin biosynthetic gene cluster from the marine derived Micromonospora rosaria SCSIO N160 in Streptomyces albus J1074. It has the role of marine metabolite . It has the role of bacterial metabolite . It is also related to or classified as isoindoles , cyclic ketone , secondary amino compound .
The molecule C(C[NH+]1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1 C(C[NH+]1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1 is an organic cation obtained by protonation of the two tertiary amino functions of 1-[2-(benzhydryloxy)ethyl]-4-(3-phenylpropyl)piperazine. It is a conjugate acid of 1-[2-(benzhydryloxy)ethyl]-4-(3-phenylpropyl)piperazine . It is also related to or classified as organic cation , ammonium ion derivative .
The molecule COc1cc(\C=C\CCCC\C=C\C=C\C)oc(=O)c1C COc1cc(\C=C\CCCC\C=C\C=C\C)oc(=O)c1C is A prosolanapyrone bearing a methyl substituent at position 3 of the pyrone ring. It is also related to or classified as prosolanapyrone .
The molecule CC(=O)C[C@H](C(=O)[O-])[NH3+] is a 2-amino-4-oxopentanoic acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of (R)-2-amino-4-oxopentanoic acid; major microspecies at pH 7.3. It is a tautomer of a (R)-2-amino-4-oxopentanoic acid.
The molecule C1(C)(CO)CCC(C(=C1\C=C\C(=C\C=C\C(=C\C(=O)[O-])\C)\C)C)=O C1(C)(CO)CCC(C(=C1\C=C\C(=C\C=C\C(=C\C(=O)[O-])\C)\C)C)=O is A retinoid anion that is the conjugate base of all-trans-4-oxo-16-hydroxyretinoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as retinoid anion , oxo monocarboxylic acid anion , hydroxy monocarboxylic acid anion .
The molecule OC[C@@]1(O)COC(OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@@H]1O OC[C@@]1(O)COC(OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@@H]1O is A UDP-sugar having D-apiose as the sugar portion. It is a conjugate acid of UDP-D-apiose(2-) . It is also related to or classified as UDP-sugar  .
The molecule C(C(=O)O)NS(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F is a monocarboxylic acid that is (sulfoamino)acetic acid substituted by a heptadecafluorooctyl group at the sulfur atom. It has a role as a xenobiotic and an environmental contaminant. It is an organofluorine compound, a sulfonamide and a monocarboxylic acid. It derives from a perfluorooctane-1-sulfonic acid and a perfluorooctanesulfonamide.
The molecule [NH3+][C@@H](CSc1ccc(Br)cc1)C([O-])=O [NH3+][C@@H](CSc1ccc(Br)cc1)C([O-])=O is an amino acid zwitterion obtained via transfer of a proton from the carboxy to the amino group of S-(4-bromophenyl)-L-cysteine; major species at pH 7.3. It is also related to or classified as amino-acid zwitterion .
The molecule Cl.Cl.C(CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1 Cl.Cl.C(CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1 is A hydrochloride salt that is obtained by reaction of 1-[2-(benzhydryloxy)ethyl]-4-(3-phenylpropyl)piperazine with two equivalents of hydrogen chloride. Potent and selective inhibitor of dopamine uptake (KD = 5.5 nM in rat striatal membranes). It has the role of dopamine uptake inhibitor . It is also related to or classified as hydrochloride .
The molecule O(C1[C@@H](O)[C@H](O)C(O[C@H]1OC=2C3=C(OC(=C(C3=O)CCC(C)C)C4=CC(O)=C(O)C(O)=C4)C=C(O)C2)CO)[C@@H]5OC([C@H](O)[C@H](O)C5O)C O(C1[C@@H](O)[C@H](O)C(O[C@H]1OC=2C3=C(OC(=C(C3=O)CCC(C)C)C4=CC(O)=C(O)C(O)=C4)C=C(O)C2)CO)[C@@H]5OC([C@H](O)[C@H](O)C5O)C is 3-(3-Methylbutyl)tricetin 5-neohesperidoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule C1(C)(CO)CCC(C(=C1\C=C\C(=C\C=C\C(=C\C(=O)O)\C)\C)C)=O C1(C)(CO)CCC(C(=C1\C=C\C(=C\C=C\C(=C\C(=O)O)\C)\C)C)=O is A retinoid that consists of all-trans-retinoic acid carrying an oxo substituent at position 4 and a hydroxy substituent at position 16. Its functional parent is all-trans-retinoic acid . It is a conjugate acid of all-trans-4-oxo-16-hydroxyretinoate . It is also related to or classified as retinoid  .   It is also related to or classified as enone  . It is also related to or classified as hydroxy monocarboxylic acid , oxo monocarboxylic acid .
The molecule N(C(CN1C(=O)CCC1)=O)C2=C(C)C=CC=C2C N(C(CN1C(=O)CCC1)=O)C2=C(C)C=CC=C2C is nefiracetam. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CC1([C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(SS1)(C)C)C(=O)O)CC2=CC=CC=C2)NC(=O)[C@H](CC3=CC=C(C=C3)O)N)C is a heterodetic cyclic peptide that is a cyclic enkephalin analogue, having D-penicillaminyl residues located at positions 2 and 5, which form the heterocycle via a disulfide bond. It has a role as a delta-opioid receptor agonist.
The molecule OC(=O)C1CCN(CC1)C(=O)CCC2=CC=CC=C2 OC(=O)C1CCN(CC1)C(=O)CCC2=CC=CC=C2 is 1-(3-phenylpropanoyl)-4-piperidinecarboxylic acid.  It is also related to or classified as carboxylic acid  . It is also related to or classified as piperidines .
The molecule CC(C)(C)OO CC(C)(C)OO is an alkyl hydroperoxide in which the alkyl group is tert-butyl. It is widely used in a variety of oxidation processes. It has the role of antibacterial agent . It has the role of oxidising agent . It is also related to or classified as alkyl hydroperoxide .
The molecule N12N=C(C=C1N=NC(=C2C)C#N)C N12N=C(C=C1N=NC(=C2C)C#N)C is 4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonitrile. It is also related to or classified as organic heterobicyclic compound , organonitrogen heterocyclic compound .
The molecule C(C(C(=O)O)NC(=O)N)C(=O)O is an N-carbamoylamino acid that is aspartic acid with one of its amino hydrogens replaced by a carbamoyl group. It has a role as a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite and a human metabolite. It is a N-carbamoyl-amino acid, an aspartic acid derivative and a C4-dicarboxylic acid. It is a conjugate acid of a N-carbamoylaspartate(2-).
The molecule C1(C)(C)CCC(C(=C1\C=C\C(=C\C=C\C(=C\C(=O)[O-])\C)\C)CO)O C1(C)(C)CCC(C(=C1\C=C\C(=C\C=C\C(=C\C(=O)[O-])\C)\C)CO)O is A retinoid anion that is the conjugate base of all-trans-4,18-dihydroxyretinoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as retinoid anion , hydroxy monocarboxylic acid anion .
The molecule Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C(=O)[C@H]1O Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C(=O)[C@H]1O is A ribonucleotide that is the 3'-dehydro derivative of adenosine 5'-triphosphate. Its functional parent is ATP . It is also related to or classified as secondary alpha-hydroxy ketone  . It is also related to or classified as ribonucleotide .
The molecule CCCCC1=C(C=C2C[C@H](OC(=O)C2=C1O)CC/C=C/C)O is an isochromane that is 3,4-dihydroisocoumarin with a butyl substituent at position 7, hydroxy substituents at positions 6 and 8 and a 3E-pent-3-en-1-yl group at position 3. It is isolated from an endophytic fungus, Geotrichum. It has a role as a metabolite, an antimalarial, an antifungal agent and an antitubercular agent. It is a member of isochromanes and a member of phenols. It derives from a 3,4-dihydroisocoumarin.
The molecule CC[C@H](C)[C@@H](C(=O)N[C@@H](C)CCCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC[C@H](CN)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)NCC(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)O)N is a glycopeptide that consists of phenylalanyl, (5R)-5-(beta-D-galactopyranosyloxy)lysyl, glycyl. alpha-glutamyl, glutaminyl, glycyl, prolyl, lysyl, glycyl, alpha-glutamyl and threonine residues coupled in sequence with an isostere-modified Ile-AlaPsi(CH2CH2)Gly tripeptoid unit attached to the amino terminus.
The molecule Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1 Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1 is an N-alkylpiperazine that consists of piperazine bearing 2-bis(4-fluorophenyl)methoxy]ethyl and 3-phenylpropyl groups at positions 1 and 4 respectively. Potent, competitive inhibitor of dopamine uptake (Ki = 1 nM for inhibition of striatal dopamine uptake). Has > 100-fold lower affinity for the noradrenalin and 5-HT uptake carriers. Also a potent sigma ligand (IC50 = 48 nM). Centrally active following systemic administration. It has the role of dopamine uptake inhibitor . It is also related to or classified as ether  . It is also related to or classified as organofluorine compound  . It is also related to or classified as N-alkylpiperazine , tertiary amino compound .
The molecule C1(C)(C)CCC(C(=C1\C=C\C(=C\C=C\C(=C\C(=O)O)\C)\C)CO)O C1(C)(C)CCC(C(=C1\C=C\C(=C\C=C\C(=C\C(=O)O)\C)\C)CO)O is A retinoid that consists of all-trans-retinoic acid bearing two hydroxy substituents at positions 4 and 18. Its functional parent is all-trans-retinoic acid . It is a conjugate acid of all-trans-4,18-dihydroxyretinoate . It is also related to or classified as secondary allylic alcohol  . It is also related to or classified as retinoid  . It is also related to or classified as dihydroxy monocarboxylic acid .
The molecule IC1=CC=C(NC(=N)NC2C3CC4CC(C3)CC2C4)C=C1 IC1=CC=C(NC(=N)NC2C3CC4CC(C3)CC2C4)C=C1 is iPAG is a potent sigma-receptor antagonist. It is also related to or classified as organic molecular entity .
The molecule S1c2ccccc2Sc2ccccc12 S1c2ccccc2Sc2ccccc12 is the organosulfur heterocyclic compound that is the parent compound of the thianthrenes, a tricyclic structure comprising two benzene rings fused to the b and e sides of 1,4-dithin. It is also related to or classified as mancude organic heterotricyclic parent , thianthrenes , organosulfur heterocyclic compound .
The molecule COC1=CC(=CC(=C1O)O)C2=CC(=O)C3=C(C=C(C=C3O2)O)O is the 3'-O-methyl ether of tricetin. It has a role as an antioxidant and a metabolite. It is a monomethoxyflavone, a tetrahydroxyflavone and a member of 3'-methoxyflavones. It derives from a tricetin. It is a conjugate acid of a 3'-O-methyltricetin(1-).
The molecule [O-][Cr]([O-])([O-])=O [O-][Cr]([O-])([O-])=O is tetraoxidochromate(3-). It is also related to or classified as chromium oxoanion , trivalent inorganic anion .
The molecule CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCC(=O)N[C@@H](CC(C)C)C(=O)O is an L-leucine derivative resulting from the formal condensation of the carboxy group of arachidonic acid with the amino group of L-leucine. It is a L-leucine derivative and a N-(fatty acyl)-L-alpha-amino acid. It derives from an arachidonic acid. It is a conjugate acid of a N-arachidonoyl-L-leucinate.
The molecule Fc1ccc(cc1)C(OCC[NH+]1CC[NH+](CCCc2ccccc2)CC1)c1ccc(F)cc1 Fc1ccc(cc1)C(OCC[NH+]1CC[NH+](CCCc2ccccc2)CC1)c1ccc(F)cc1 is A organic cation obtained by protonation of the two tertiary amino functions of vanoxerine. It is a conjugate acid of vanoxerine . It is also related to or classified as organic cation , ammonium ion derivative .
The molecule CC(=C)C1CCC(C)(O)C(=O)C1 CC(=C)C1CCC(C)(O)C(=O)C1 is A limonene monoterpenoid that consists of cyclohexanone bearing hydroxy and methyl substituents at position 2 as well as an isopropenyl substituent at position 5. It is also related to or classified as tertiary alpha-hydroxy ketone  . It is also related to or classified as limonene monoterpenoid .
The molecule [NH-][NH-] [NH-][NH-] is hydrazine-1,2-diide. It is a conjugate acid of diazanetriide . It is also related to or classified as nitrogen hydride .
The molecule C1(C)(CO)CCC(C(=C1\C=C\C(=C\C=C\C(=C\C(=O)[O-])\C)\C)C)O C1(C)(CO)CCC(C(=C1\C=C\C(=C\C=C\C(=C\C(=O)[O-])\C)\C)C)O is A retinoid anion that is the conjugate base of all-trans-4,16-dihydroxyretinoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as retinoid anion , hydroxy monocarboxylic acid anion .
The molecule [H]C(=NNC(N)=S)C1=C(N)C=CC=N1 [H]C(=NNC(N)=S)C1=C(N)C=CC=N1 is A thiosemicarbazone resulting from the formal condensation of the formyl group of 3-aminopicolinaldehyde with the non-thioacylated amino group of hydrazinecarbothioamide. It is a ribonucleotide reductase inhibitor that exhibits anti-cancer properties. It has the role of radiosensitizing agent . It has the role of antineoplastic agent . It has the role of iron chelator . It has the role of neuroprotective agent . It has the role of apoptosis inducer . It has the role of EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor . Its functional parent is 3-aminopicolinaldehyde . It is also related to or classified as thiosemicarbazone  . It is also related to or classified as aminopyridine .
The molecule C(=N/NC(=O)C=1C=CN=CC1)\C2=C(O)C=CC=C2 C(=N/NC(=O)C=1C=CN=CC1)\C2=C(O)C=CC=C2 is salinazid. It is also related to or classified as pyridinemonocarboxylic acid , aromatic carboxylic acid .
The molecule CCCCCCCC/C=C\\CCCCCCCC(=O)NCCC1=CNC2=C1C=C(C=C2)O is an N-acylserotonin obtained by formal condensation of the carboxy group of oleoic acid with the primary amino group of serotonin. It derives from an oleic acid.
The molecule Cl.Cl.Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1 Cl.Cl.Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1 is A hydrochloride salt that is obtained by reaction of vanoxerine with two equivalents of hydrogen chloride. Potent, competitive inhibitor of dopamine uptake (Ki = 1 nM for inhibition of striatal dopamine uptake). Has > 100-fold lower affinity for the noradrenalin and 5-HT uptake carriers. Also a potent sigma ligand (IC50 = 48 nM). Centrally active following systemic administration. It has the role of dopamine uptake inhibitor . It is also related to or classified as hydrochloride .
The molecule O[C@H]1C[C@](CCC1)(C2=C(O)C=C(C(CCCCCCO)(C)C)C=C2)[H] O[C@H]1C[C@](CCC1)(C2=C(O)C=C(C(CCCCCCO)(C)C)C=C2)[H] is (+/-)-CP 47,497-C7-Hydroxy metabolite.  It is also related to or classified as alkylbenzene  . It is also related to or classified as ring assembly .
The molecule O1C([C@@H](O)[C@H](O)C(OC(=O)/C=C/C2=CC(O)=C(O)C=C2)[C@@H]1OC3=C(O)C(O)=C(C=C3)C(=O)/C=C/C4=CC(O)=C(OC)C=C4)COC(=O)C O1C([C@@H](O)[C@H](O)C(OC(=O)/C=C/C2=CC(O)=C(O)C=C2)[C@@H]1OC3=C(O)C(O)=C(C=C3)C(=O)/C=C/C4=CC(O)=C(OC)C=C4)COC(=O)C is Okanin 4-methyl ether 4'-O-(2''-O-caffeoyl-6''-O-acetylglucoside). It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule C1(C)(CO)CCC(C(=C1\C=C\C(=C\C=C\C(=C\C(=O)O)\C)\C)C)O C1(C)(CO)CCC(C(=C1\C=C\C(=C\C=C\C(=C\C(=O)O)\C)\C)C)O is A retinoid that consists of all-trans-retinoic acid bearing two hydroxy substituents at positions 4 and 16. Its functional parent is all-trans-retinoic acid . It is a conjugate acid of all-trans-4,16-dihydroxyretinoate . It is also related to or classified as secondary allylic alcohol  . It is also related to or classified as retinoid  . It is also related to or classified as dihydroxy monocarboxylic acid .
The molecule C/C=C/C(N(C(CC)C(N(C)C)=O)CCC)=O C/C=C/C(N(C(CC)C(N(C)C)=O)CCC)=O is cropropamide. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CCCCCC[N+](=O)[O-] is a primary nitroalkane that is hexane substituted by a nitro group at position 1. It has a role as a human urinary metabolite. It derives from a hydride of a hexane.
The molecule C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OP(=O)(O)O)CCC4=C3C=CC(=C4)OC(=O)N(CCCl)CCCl is a steroid phosphate which is the 17-O-phospho derivative of estramustine. It is a steroid phosphate, a carbamate ester and an organochlorine compound. It derives from an estramustine. It is a conjugate acid of an estramustine phosphate(2-).
The molecule NC(=O)C1=CN([C@H](O)CC1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O NC(=O)C1=CN([C@H](O)CC1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O is A tetrahydronicotinamide adenine dinucleotide obtained by formal stero- and regioselective hydration across the 2,3-double bond in the nicotinyl ring of NADPH, with the hydroxy group located at position 2, having (R)-configuration. Its functional parent is NADPH . It is a conjugate acid of (R)-NADPHX(4-) .  It is also related to or classified as hemiaminal  . It is also related to or classified as tetrahydronicotinamide adenine dinucleotide .
The molecule O1C(C(O)C(O)C(O)C1OC=2C=C3OC(=O)C(C(C)(C)C=C)=CC3=CC2OC)CO O1C(C(O)C(O)C(O)C1OC=2C=C3OC(=O)C(C(C)(C)C=C)=CC3=CC2OC)CO is 3-(1,1-Dimethylallyl)scopoletin 7-glucoside.  It is also related to or classified as glycoside  . It is also related to or classified as coumarins .
The molecule C[C@H]1/C=C/C=C/CC/C=C/C=C/C=C/C=C/C(CC2C(C(C[C@](O2)(CC(C(CCC(CC(CC(CC(=O)O[C@H]([C@@H]([C@@H]1O)C)C)O)O)O)O)O)O)O)C(=O)O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)O)N)O is a polyene macrolide antibiotic; part of the nystatin complex produced by several Streptococcus species. It is a member of nystatins and a carboxylic acid.
The molecule C1=NC2=NC=NC(=C2N1)C(=O)N is an aromatic amide that is purine bearing a carboxamido substituent at position 6. It is a member of purines, an aromatic amide and a monocarboxylic acid amide.
The molecule C1(C)(C)CCCC(=C1\C=C\C(=C\C=C\C(=C\C(=O)[O-])\C)\C)CO C1(C)(C)CCCC(=C1\C=C\C(=C\C=C\C(=C\C(=O)[O-])\C)\C)CO is A retinoid anion that is the conjugate base of all-trans-18-hydroxyretinoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as retinoid anion , hydroxy monocarboxylic acid anion .
The molecule OC[C@H]1OC(OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H](O)[C@@H]1O OC[C@H]1OC(OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H](O)[C@@H]1O is A UDP-sugar having D-glucose as the sugar component. It is a conjugate acid of UDP-D-glucose(2-) . It is also related to or classified as UDP-sugar  .
The molecule CC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC(=O)CC[C@H]34 is a 17beta-hydroxy steroid, a 3-oxo-Delta(4) steroid and a terminal acetylenic compound. It has a role as a contraceptive drug, a progestin, a synthetic oral contraceptive and a female contraceptive drug. It derives from a norgestrel. It is an enantiomer of a dexonorgestrel.
The molecule NC(=O)C1=CN([C@@H](O)CC1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O NC(=O)C1=CN([C@@H](O)CC1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O is A tetrahydronicotinamide adenine dinucleotide obtained by formal stereo- and regioselective hydration across the 2,3-double bond in the nicotinyl ring of NADPH, with the hydroxy group located at position 2, having (S)-configuration. Its functional parent is NADPH . It is a conjugate acid of (S)-NADPHX(4-) .  It is also related to or classified as hemiaminal  . It is also related to or classified as tetrahydronicotinamide adenine dinucleotide .
The molecule C1=CC=C2C(=C1)C(=CN2)CCCC(=O)NCCOCCOCCOCCOCCOCCC(=O)NC(CCCCNC(=O)C3=CC=C(O3)[N+](=O)[O-])C(=O)N is a furan having a nitro group at position 5 and a carboxamido group in turn bearing a long-chain multifunctional N-alkyl group at position 2. It is a C-nitro compound, a member of furans, a polyether, a member of indoles and a monocarboxylic acid amide.
The molecule C1(C)(CO)CCCC(=C1\C=C\C(=C\C=C\C(=C\C(=O)[O-])\C)\C)C C1(C)(CO)CCCC(=C1\C=C\C(=C\C=C\C(=C\C(=O)[O-])\C)\C)C is A retinoid anion that is the conjugate base of all-trans-16-hydroxyretinoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as retinoid anion , hydroxy monocarboxylic acid anion .
The molecule [NH3+][C@H]1[C@@H](OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)O[C@H](CO)[C@@H](O)[C@@H]1O [NH3+][C@H]1[C@@H](OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)O[C@H](CO)[C@@H](O)[C@@H]1O is A nucleotide-sugar oxoanion that is the conjugate base of UDP-alpha-D-glucosamine, arising from deprotonation of the diphosphate group and protonation of the amino group; major species at pH 7.3. It is also related to or classified as nucleotide-sugar oxoanion .
The molecule C[C@]12CC[C@@H]([C@@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(C[C@H]([C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)O)C)C)(C)C=O)O is a pentacyclic triterpenoid that is olean-12-ene substituted by hydroxy groups at positions 3 and 16, an oxo group at position 23 and a carboxy group at position 28 (the 3beta,16alpha stereoisomer). It has a role as an anti-inflammatory agent and a metabolite. It is a pentacyclic triterpenoid, a hydroxy monocarboxylic acid and an aldehyde. It derives from a hydride of an oleanane.
The molecule COc1cc(COc2cc(N)c(Cl)cc2C(=O)CCC2CCN(CCNS(C)(=O)=O)CC2)cc(OC)c1 COc1cc(COc2cc(N)c(Cl)cc2C(=O)CCC2CCN(CCNS(C)(=O)=O)CC2)cc(OC)c1 is an aromatic ether that is the 3,5-dimethoxybenzyl derivative of N-(2-{4-[3-(4-amino-5-chloro-2-hydroxyphenyl)-3-oxopropyl]piperidin-1-yl}ethyl)methanesulfonamide. A potent and selective 5-HT4 antagonist, with a pKi of 9.1 at 5-HT4 receptors in guinea pig striatal membranes and greater than 1000-fold selectivity over 5-HT1A, 2C, 3 and D1, D2, M1, M2, AT1, B1 and alpha1C receptors. The ketone group gives RS 39604 a relatively long half life; it is also orally active and so suitable for in vivo studies. It has the role of serotonergic antagonist .  It is also related to or classified as sulfonamide  . It is also related to or classified as piperidines , aromatic ether , aromatic ketone , monochlorobenzenes .
The molecule S1C(NCC2=CC=CC=C2)=NC=C1C(O)=O S1C(NCC2=CC=CC=C2)=NC=C1C(O)=O is 2-(benzylamino)-1,3-thiazole-5-carboxylic acid. It is also related to or classified as aromatic carboxylic acid , thiazoles .
The molecule S(OC1=C(OC=2C(C1=O)=C(O)C=C(OC)C2)C3=CC=C(OC)C=C3)(O)(=O)=O S(OC1=C(OC=2C(C1=O)=C(O)C=C(OC)C2)C3=CC=C(OC)C=C3)(O)(=O)=O is Kaempferol 7,4'-dimethyl ether 3-O-sulfate. It is also related to or classified as ether  . It is also related to or classified as flavonoids .