anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CC/C=C\\CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O is a fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (Z)-hex-3-enoic acid. It is a cis-3-enoyl-CoA, a medium-chain fatty acyl-CoA and a monounsaturated fatty acyl-CoA. It derives from a cis-hex-3-enoic acid. It is a conjugate acid of a (Z)-hex-3-enoyl-CoA(4-).
The molecule S1C(=C(N=C1)C)C(O)=O S1C(=C(N=C1)C)C(O)=O is 4-Methyl-thiazole-5-carboxylic acid. It is also related to or classified as aromatic carboxylic acid , thiazoles .
The molecule [205Po] [205Po] is the radioactive isotope of polonium with relative atomic mass 204.981165 and half-life of 1.66 h. It is also related to or classified as polonium atom  .
The molecule CC(C)CC(C)CC(C)CC=C is an alkene that is 1-nonene substituted by methyl groups at positions 4, 6 and 8 respectively. Metabolite observed in cancer metabolism. It has a role as a human metabolite. It derives from a hydride of a 1-nonene.
The molecule C1=CC(=C(C=C1O)[O-])C2=COC3=C(C2=O)C=CC(=C3)O is a flavonoid oxoanion obtained by deprotonation of the 7-hydroxy group of 2'-hydroxydaidzein. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It has a role as an anti-inflammatory agent. It is a conjugate base of a 2'-hydroxydaidzein.
The molecule CC(=O)N[C@H]1[C@H]([C@@H]([C@H](OC1OP(=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)O is a UDP-N-acetyl-mannosaminouronic acid in which the N-acetyl-mannosaminouronic acid fragment has D-configuration. It derives from a N-acetyl-D-mannosaminouronic acid. It is a conjugate acid of an UDP-N-acetyl-D-mannosaminouronate(3-).
The molecule CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCCCCCCCCC(=O)[O-] is a polyunsaturated fatty acid anion that is the conjugate base of (13Z,16Z,19Z,22Z)-octacosatetraenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of a (13Z,16Z,19Z,22Z)-octacosatetraenoic acid.
The molecule CNC1=CC=C(C=C1)O is the phenol that is the N-methyl derivative of 4-aminophenol. It has a role as an allergen. It derives from a 4-aminophenol.
The molecule ClC1=CC(=C(O)C=C1)C(OC)=O ClC1=CC(=C(O)C=C1)C(OC)=O is Methyl 5-chloro-2-hydroxybenzoate. Its functional parent is salicylic acid . It is also related to or classified as phenols  . It is also related to or classified as benzoate ester .
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[C@H]3[C@@H]([C@H](OC([C@@H]3O)O)CO)O)O)O)O)O)O)O)O is a glucotriose consisting of two beta-D-glucopyranose residues and a D-glucopyranose residue joined in sequence by (1->6) and (1->3) glycosidic bonds. It derives from a laminarabiose and a beta-D-Glcp-(1->6)-beta-D-Glcp.
The molecule [H][C@@]1(CCCN1C)CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1 [H][C@@]1(CCCN1C)CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1 is 2-[(2R)-1-Methylpyrrolidin-2-yl]ethanol in which the hydrogen of the hydroxy group is substituted by a 1-(4-chlorophenyl)-1-phenylethyl group (R configuration). An antihistamine with antimuscarinic and moderate sedative properties, it is used as its fumarate salt for the symptomatic relief of allergic conditions such as rhinitis, urticaria, conjunctivitis and in pruritic (severe itching) skin conditions. It has the role of H1-receptor antagonist . It has the role of muscarinic antagonist . It has the role of anti-allergic agent . It has the role of antipruritic drug . It is also related to or classified as N-alkylpyrrolidine , monochlorobenzenes .
The molecule CC(=CCNC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])[O-])O)O)C is a ribonucleoside triphosphate oxoanion obtained by deprotonation of the three diphosphate OH groups of N(6)-(dimethylallyl)adenosine 5'-diphosphate. It is a conjugate base of a N(6)-(dimethylallyl)adenosine 5'-diphosphate.
The molecule CCC1(CC(=O)NC1=O)C is a dicarboximide that is pyrrolidine-2,5-dione in which the hydrogens at position 3 are substituted by one methyl and one ethyl group. An antiepileptic, it is used in the treatment of absence seizures and may be used for myoclonic seizures, but is ineffective against tonic-clonic seizures. It has a role as an anticonvulsant and a calcium channel blocker. It is a pyrrolidinone and a dicarboximide.
The molecule O=C(C1=C(O)C=C(OC)C(=C1)C=O)/C=C/C=C/C O=C(C1=C(O)C=C(OC)C(=C1)C=O)/C=C/C=C/C is 5′-formyl-2′-hydroxyl-4′-methoxy-(E,E)-sorbophenone. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule CCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC/C=C\\CCCCCCCC)OC(=O)CCCCCCC/C=C\\CCCCCC is a triacyl-sn-glycerol in which the which the acyl groups at positions 1, 2 and 3 are specified as hexadecanoyl, (9Z)-hexadecenoyl and (9Z)-octadecenoyl respectively. It has a role as a human blood serum metabolite. It is a triacyl-sn-glycerol and a triacylglycerol 50:2.
The molecule Cl.S1[C@H](NCC1)C(OC)=O Cl.S1[C@H](NCC1)C(OC)=O is Methyl 1,3-thiazolane-2-carboxylate hydrochloride. It is also related to or classified as alpha-amino acid ester  .
The molecule CC(=O)OC1=CC2=C(S1)CCN(C2)C(C3=CC=CC=C3F)C(=O)C4CC4 is a member of the class of thienopyridines that is 2-acetoxy-4,5,6,7-tetrahydrothieno[3,2-c]pyridine in which the amino hydrogen is replaced by a 2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl group. It is an acetate ester, a member of cyclopropanes, a ketone, a member of monofluorobenzenes, a tertiary amino compound and a thienopyridine.
The molecule CC1=CC(=C2C(=C1)OC3=C(C2=O)C(=C(C=C3)O)C(=O)OC)O is a member of the class of xanthones that is methyl 9H-xanthene-1-carboxylate substituted by hydroxy groups at positions 2 and 8, a methyl group at position 6 and an oxo group at position 9. It has been isolated from Aspergillus sydowii. It has a role as an Aspergillus metabolite. It is a member of xanthones, a carboxylic ester and a polyphenol.
The molecule C1CNCCNCCNCCN1 C1CNCCNCCNCCN1 is an azacycloalkane that is cyclododecane in which the carbon atoms at positions 1, 4, 7 and 10 are replaced by nitrogen atoms. It is also related to or classified as saturated organic heteromonocyclic parent , crown amine , azacycloalkane .
The molecule C1=C(C2=C(N=CN=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)C(=O)O is an N-glycosylpyrrolopyrimidine that is tubercidin in which the hydrogen at position 5 of the pyrrolopyrimidine moiety has been replaced by a carboxy group. It is a nucleoside analogue and a N-glycosylpyrrolopyrimidine. It derives from a tubercidin.
The molecule OC(=O)C=1N=CC=CC1C OC(=O)C=1N=CC=CC1C is 3-Methylpicolinic acid. It is also related to or classified as pyridines , aromatic carboxylic acid .
The molecule CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)([O-])[O-])O is a 3-oxo-fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of (10Z,13Z,16Z,19Z,22Z,25Z)-3-oxooctacosahexaenoyl-CoA. It is a 3-oxo-fatty acyl-CoA(4-) and an ultra-long-chain fatty acyl-CoA(4-). It is a conjugate base of a (10Z,13Z,16Z,19Z,22Z,25Z)-3-oxooctacosahexaenoyl-CoA.
The molecule CC1(OC[C@@H]2CC3=CC(=C(C(=C3[C@@H]([C@H]2CO1)C4=CC(=C(C(=C4)OC)O)OC)OC)O)OC)C is a lignan isolated from the stems of Sinocalamus affinis. It has a role as a plant metabolite. It is a lignan, an organic heterotricyclic compound, an oxacycle, a dimethoxybenzene and a member of phenols.
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](O[C@@H]([C@@H]2O)CO)OC)NC(=O)C)CO)O)O is a methyl glycoside that is N-acetyl-alpha-D-galactosaminyl-(1->3)-N-acetyl-alpha-D-galactosamine in which the anomeric hydroxy group is replaced by methoxy. It is a methyl glycoside and a disaccharide derivative.
The molecule [Ho+3] [Ho+3] is holmium(3+). It is also related to or classified as monoatomic trication  . It is also related to or classified as holmium molecular entity .
The molecule COC1=CC(=C2C(=C1)OC3=C(C2=O)C(=C(C=C3)O)OC)O is a member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 2 and 8 and methoxy groups at positions 1 and 6. It has a role as a plant metabolite. It is a member of xanthones, a polyphenol and an aromatic ether.
The molecule O=C1O[C@H](CC=CC(=O)[C@H](O)[C@H](CC=CC=2C1=C(O)C=C(OC)C2)O)C O=C1O[C@H](CC=CC(=O)[C@H](O)[C@H](CC=CC=2C1=C(O)C=C(OC)C2)O)C is Cochliomycin E. It is also related to or classified as macrolide  . It is also related to or classified as resorcinols .
The molecule C1=CC=C2C(=C1)N[C@@H]3C(=N2)C=CC=C3C(=O)[O-] is a monocarboxylic acid anion that is the conjugate base of (10aS)-10,10a-dihydrophenazine-1-carboxylic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a monocarboxylic acid anion and an aromatic amino-acid anion. It is a conjugate base of a (10aS)-10,10a-dihydrophenazine-1-carboxylic acid.
The molecule S1C2=C(N(C(=C2)C(O)=O)C)C=C1 S1C2=C(N(C(=C2)C(O)=O)C)C=C1 is 4-Methyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid. It is also related to or classified as organic heterobicyclic compound , organonitrogen heterocyclic compound , organosulfur heterocyclic compound .
The molecule C1=CC=C(C=C1)[C@H](C#N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O is an amygdalin in which the stereocentre on the cyanohydrin function has R-configuration. It has a role as a plant metabolite, an apoptosis inducer and an antineoplastic agent. It derives from a (R)-mandelonitrile.
The molecule CC(O)CN1CCN(CCN(CCN(CC1)CC(O)=O)CC(O)=O)CC(O)=O CC(O)CN1CCN(CCN(CCN(CC1)CC(O)=O)CC(O)=O)CC(O)=O is A tricarboxylic acid that consists of 1,4,7,10-tetraazacyclododecane bearing three carboxymethyl substituents at positions 1, 4 and 7 as well as a 2-hydroxypropyl group at position 10. It is a conjugate acid of HP-DO3A(3-) . It is also related to or classified as tricarboxylic acid .
The molecule CCCCCCCCCCCCCCCCCCCCCCCCCCC(C)C CCCCCCCCCCCCCCCCCCCCCCCCCCC(C)C is 2-methyloctacosane. It has the role of animal metabolite . It is also related to or classified as organic molecular entity .
The molecule O[As](=O)(O)O is an arsenic oxoacid comprising one oxo group and three hydroxy groups attached to a central arsenic atom. It has a role as an Escherichia coli metabolite. It is a conjugate acid of an arsenate(1-) and an arsenate ion.
The molecule CN1C=NC2=C(C1=O)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[C@@H]4[C@H](O[C@H]([C@@H]4O)N5C=NC6=C5N=CNC6=O)COP(=O)(O)O[C@@H]7[C@H](O[C@H]([C@@H]7O)N8C=NC9=C8N=C(NC9=O)N)COP(=O)(O)O[C@@H]1[C@H](O[C@H]([C@@H]1O)N1C=NC2=C(N=CN=C21)N)CO)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N1C=CC(=O)NC1=O)O)OP(=O)(O)O)O is a tRNA oligonucleotide comprised of a sequence of adenosine, guanosine, inosine, 1-methylinosine and uridine residues connected by 3'->5' phosphodiester linkages and with a phosphoric residue at the 3'-terminus..
The molecule O(C1=CC=2C(CC(N)C(O)=O)=CNC2C=C1)C O(C1=CC=2C(CC(N)C(O)=O)=CNC2C=C1)C is 5-Methoxy-DL-tryptophan. Its functional parent is serotonin . It is also related to or classified as tryptamines .
The molecule C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@@H]2O[C@@H]3[C@H]([C@@H](O[C@@H]([C@H]3O)CO)O[C@H]4[C@@H](O[C@H]([C@@H]([C@@H]4O)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)O)O)O)O[C@@H]6[C@@H]([C@H]([C@@H](O[C@H]6OC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O[C@H]7[C@@H]([C@@H]([C@H]([C@@H](O7)C)O)O)O)O)C)O)O)C)NC(=O)C)CO)O)O)O)O)O is an alpha-L-rhamnoside consisting of D-glucitol having an alpha-L-Rhap-(1->2)-[alpha-L-Rhap-(1->2)-alpha-D-Galp-(1->3)-beta-D-GlcpNAc-(1->4)]-alpha-L-Rhap-(1->2)-alpha-L-Rhap moiety attached at the 1-position and an alpha-L-Rhap residue at the 3-position. It derives from a D-glucitol.
The molecule CC[C@H](C)/C=C/C1=CC2=C(C(=O)[C@@]3(C(=C(C(=O)O3)C(=O)[C@@H](C)[C@@H](C)O)C2=CO1)C)Cl is an azaphilone that is 6H-furo[2,3-h]isochromene-6,8(6aH)-dione substituted by a chloro group at position 5, a 3-hydroxy-2-methylbutanoyl group at position 9, a methyl group at position 6a and a 3-methylpent-1-en-1yl group at position 3. Isolated from Chaetomium globosum, it exhibits natifungal activity against plant pathogenic fungi. It has a role as an antifungal agent and a Chaetomium metabolite. It is an azaphilone, a gamma-lactone, an organochlorine compound, an enone, a secondary alcohol, a beta-hydroxy ketone and an organic heterotricyclic compound.
The molecule O=C1C=C(C=CC1=O)/C=C/C(O)=O O=C1C=C(C=CC1=O)/C=C/C(O)=O is an alpha,beta-unsaturated monocarboxylic acid that is acrylic acid in which one of the olefinic hydrogens at position 3 has been replaced by a 3,4-dioxocyclohexa-1,5-dien-1-yl group. It has the role of plant metabolite . Its functional parent is acrylic acid . It is also related to or classified as 1,2-benzoquinones  . It is also related to or classified as alpha,beta-unsaturated monocarboxylic acid .
The molecule CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC/C=C\\CCCCCCCC is a phosphatidylcholine 40:1 in which the acyl groups specified at positions 1 and 2 are hexadecanoyl and (15Z)-tetracosenoyl respectively. It derives from a hexadecanoic acid and a (15Z)-tetracosenoic acid.
The molecule CC1=NC=C(C(=C1O)C[NH2+][C@@H](CCCCNC(=O)C)C(=O)[O-])COP(=O)([O-])[O-] is an organophosphate oxoanion that is the dianion of N(6)-acetyl-N(2)-(5'-phosphopyridoxyl)-L-alanine having anionic carboxy, hydroxy and phosphate groups with the secondary amino group and pyridine nitrogen protonated. It has a role as an epitope and an antigen. It is a conjugate base of a N(6)-acetyl-N(2)-(5'-phosphopyridoxyl)-L-lysine.
The molecule O(C1=C(C(=C(O)C=C1C)C)C)C(=O)C O(C1=C(C(=C(O)C=C1C)C)C)C(=O)C is 4-Hydroxy-2,3,6-trimethylphenyl acetate. It is also related to or classified as phenols  . It is also related to or classified as benzoate ester .
The molecule C1C[C@H]([NH2+]C1)C(=O)O is an optically active form of prolinium having L-configuration. It has a role as a human metabolite. It is a conjugate acid of a L-proline. It is an enantiomer of a D-prolinium.
The molecule CCCCCC/C=C\\CCCCCCC[C@H](CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)([O-])[O-])O)O is an (R)-3-hydroxyacyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (3R,11Z)-3-hydroxyoctadecenoyl-CoA; major species at pH 7.3. It is a conjugate base of a (3R,11Z)-3-hydroxyoctadecenoyl-CoA.
The molecule CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCC is a 1-acyl-2-arachidonoyl-sn-glycero-3-phosphate in which the 1-acyl group is specified as stearoyl (octadecanoyl). It is a 1-acyl-2-arachidonoyl-sn-glycero-3-phosphate and a phosphatidic acid 38:4. It derives from an octadecanoic acid. It is a conjugate acid of a 1-stearoyl-2-arachidonoyl-sn-glycero-3-phosphate(2-).
The molecule C[C@H]1[C@H]2CC[C@H]3[C@]([C@@H]2C(=O)C=C1C=C)([C@H]([C@H]([C@H](C3(C)C)O)O)O)C is a phytocassane that is (+)-phytocassane C which has been substituted with an additional hydroxy group at the 2alpha position. It is a triol and a phytocassane.
The molecule OC(=O)C=1C=C(C#CCCCC)C=NC1 OC(=O)C=1C=C(C#CCCCC)C=NC1 is 5-Hex-1-ynylnicotinic acid. It is also related to or classified as pyridines , aromatic carboxylic acid .
The molecule S(OC=1C=C2OC(=C(OC)C(=O)C2=C(O)C1OC)C3=CC(O)=C(O)C=C3)(O)(=O)=O S(OC=1C=C2OC(=C(OC)C(=O)C2=C(O)C1OC)C3=CC(O)=C(O)C=C3)(O)(=O)=O is Axillarin 7-sulfate. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule [La++] [La++] is lanthanum(2+).  It is also related to or classified as monoatomic dication  . It is also related to or classified as lanthanum cation , divalent metal cation , lanthanum molecular entity .
The molecule C[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N1CCC[C@H]1C(=O)O)N is a tetrapeptide composed of an L-alanyl, two L-asparagyl units, and an L-proline joined by peptide linkages. It has a role as a metabolite. It derives from a L-alanine, a L-asparagine and a L-proline.
The molecule CC(C[C@H]1[C@@H](CC2=CNC3=CC=CC1=C23)NC)C=O is an ergot alkaloid that is 1,3,4,5-tetrahydrobenzo[cd]indole which is substituted at position 4 by a methylamino group and at position 5 by a 2-methyl-3-oxopropyl group (the 4R,5R diastereoisomer). It is an ergot alkaloid, an organic heterotricyclic compound and an aldehyde. It is a conjugate base of a dihydrochanoclavine-I aldehyde(1+).
The molecule [211Po] [211Po] is the radioactive isotope of polonium with relative atomic mass 210.986637 and half-life of 0.516 s. It is also related to or classified as polonium atom  .
The molecule C([C@H]([C@H]1[C@H]([C@@H]([C@H](O1)O)O)O)O)O is a D-idofuranose in which the carbon bearing the anomeric hydroxy group has alpha configuration at the anomeric centre. It is an enantiomer of an alpha-L-idofuranose.
The molecule COC1=CC=CC=C1OC[C@H](COC(=O)N)O is a 2-hydroxy-3-(2-methoxyphenoxy)propyl carbamate that has R configuration. Both (R)- and (S)-methocarbamol have muscle relaxant properties, with the (R)-enantiomer being more active than the (S)-enantiomer. It has a role as a muscle relaxant. It is an enantiomer of a (S)-methocarbamol.
The molecule O=C1NC(=CC(=C1C#N)C)C O=C1NC(=CC(=C1C#N)C)C is 2-Hydroxy-4,6-dimethylnicotinonitrile. It is also related to or classified as nitrile  . It is also related to or classified as pyridines .
The molecule CC1=C(C2=C(C(=C1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C4=CC=C(C=C4)O)O)O)O)C)O[C@@H](CC2=O)C5=C(C=CC(=C5)O)O)O is a flavanone glycoside that is (2S)-flavanone substituted by hydroxy groups at positions 5, 2' and 5', methyl groups at positions 6 and 8 and a (6''-O-p-hydroxybenzoyl)-beta-D-glucopyranosyloxy residue at position 7. Isolated from the leaves of Myrcia multiflora, it exhibits inhibitory activity against aldose reductase. It has a role as an EC 1.1.1.21 (aldehyde reductase) inhibitor and a plant metabolite. It is a beta-D-glucoside, a flavanone glycoside, a monosaccharide derivative, a trihydroxyflavanone and a 4-hydroxybenzoate ester.
The molecule CC(=CCC/C(=C/CC/C(=C/C[C@H](/C=C(\\C)/CC/C=C(\\C)/CCC=C(C)C)O)/C)/C)C is a triterpenoid that is squalene substituted at position 12 by a hydroxy group (the R-enantiomer). It has a role as a bacterial metabolite. It is a triterpenoid and a secondary alcohol. It derives from a hydride of a squalene.
The molecule [213Po] [213Po] is the radioactive isotope of polonium with relative atomic mass 212.9928425 and half-life of 4.2 mus. It is also related to or classified as polonium atom  .
The molecule CCCCCCCCCCCCC[C@@H]1C[C@H](C[C@]2(O1)CC[C@@]3(O2)C=CC(=O)C[C@@H]3O)O is an oxaspiro compound that is 1,7-dioxadispiro[5.1.5.2]pentadec-9-en-11-one substituted by hydroxy groups at positions 4 and 13 and a tridecyl group at position 2 (the (2R,4R,6S,8R,13S stereoisomer). It is isolated from the leaves of Amomum aculeatum and exhibits toxicity against some cancer cell lines like human lung carcinoma, hormone-dependent lung carcinoma and human breast carcinoma. It has a role as a metabolite and an antineoplastic agent. It is an oxaspiro compound, an organic heterotricyclic compound, an enone and a spiroketal.
The molecule [H][C@]12SCC(CSc3nnnn3C)=C(N1C(=O)[C@@]2([H])NC(=O)[C@H](NC(=O)c1cnc(C)cc1O)c1ccc(O)cc1)C(O)=O [H][C@]12SCC(CSc3nnnn3C)=C(N1C(=O)[C@@]2([H])NC(=O)[C@H](NC(=O)c1cnc(C)cc1O)c1ccc(O)cc1)C(O)=O is A third-generation cephalosporin antibiotic with [(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl and (R)-2-{[(4-hydroxy-6-methylpyridin-3-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetamido groups at positions 3 and 7, respectively, of the cephem skeleton. It has a broad spectrum of antibacterial activity. It has the role of antibacterial drug . It is a conjugate acid of cefpiramide(1-) . It is also related to or classified as cephalosporin  . It is also related to or classified as carboxylic acid  .
The molecule C/C(=C/COC)/C=C/[C@@H]1[C@]2(CCCC([C@@H]2[C@H]([C@@H]([C@@]1(C)O)O)O)(C)C)C is a labdane diterpenoid with formula C21H36O4, originally isolated from the seeds of Oryza sativa. It has a role as a plant metabolite. It is a labdane diterpenoid, an ether, a triol, a secondary alcohol, a tertiary alcohol and an olefinic compound.
The molecule C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4C[C@H]([C@@H]6[C@@]5(C[C@H]([C@@H](C6)O)O)C)O)C)C)OC1 is an oxaspiro compound that is (25R)-5alpha-spirostan substituted by hydroxy groups at positions 2, 3 and 6 (the 2alpha,3beta,6beta stereoisomer). It has a role as a metabolite and an antineoplastic agent. It is an organic heterohexacyclic compound, a 3beta-hydroxy steroid, a 2alpha-hydroxy steroid and an oxaspiro compound. It derives from a hydride of a (25R)-5alpha-spirostan.
The molecule S1C(C=2NC(=O)C(=C(C2)C(F)(F)F)C#N)=CC=C1 S1C(C=2NC(=O)C(=C(C2)C(F)(F)F)C#N)=CC=C1 is 2-Hydroxy-6-(2-thienyl)-4-(trifluoromethyl)nicotinonitrile. It is also related to or classified as nitrile  . It is also related to or classified as pyridines .
The molecule O=C(O)CC(N=C(O)C(NC(=O)C=1N=C2C=CC=CC2=CC1)C(C)C)C(=O)COC=3C(F)=CC=CC3F O=C(O)CC(N=C(O)C(NC(=O)C=1N=C2C=CC=CC2=CC1)C(C)C)C(=O)COC=3C(F)=CC=CC3F is Q-VD-OPh. It has the role of protease inhibitor . It is also related to or classified as organic molecular entity .
The molecule CN(C)CCC1=CNC2=C1C=C(C=C2)OC is a tryptamine alkaloid that is N,N-dimethyltryptamine substituted by a methoxy group at position 5. It has a role as a hallucinogen and a plant metabolite. It is a tryptamine alkaloid, an aromatic ether and a tertiary amino compound. It derives from a bufotenin.
The molecule CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O is an amino disaccharide consisting of alpha-D-mannopyranose and 2-acetamido-2-deoxy-alpha-D-glucopyranose residues joined in sequence by a (1->4) glycosidic bond. It is a member of acetamides, an amino disaccharide and a glycosylglucose derivative. It derives from an alpha-D-mannose and a N-acetyl-alpha-D-glucosamine.
The molecule O=C(OC1=CC=C(C=C1)CO[N+](=O)[O-])C=2C=CC=CC2OC(=O)C O=C(OC1=CC=C(C=C1)CO[N+](=O)[O-])C=2C=CC=CC2OC(=O)C is NCX-4040. It has the role of analgesic . It has the role of nitric oxide donor . It is also related to or classified as organic molecular entity .
The molecule C1C(=CC(=O)O1)N(CC2=CN=C(C=C2)Cl)CC(F)F is a tertiary amino compound that is ammonia in which the nitrogens have been replaced by (6-chloropyridin-3-yl)methyl, 2,2-difluoroethyl, and 5-oxo-2,5-dihydrofuran-3-yl groups, respectively. A nicotinic acetylcholine receptor (AChR) agonist, it is used as an insecticide to control sucking pests in a variety of crops. It has a role as a nicotinic acetylcholine receptor agonist and an insecticide. It is a butenolide, a monochloropyridine, an organofluorine insecticide, an enamine and a tertiary amino compound.
The molecule CC1C(OC(O1)C)C is a dioxolane that is 1,3-dioxolane substituted by methyl groups at positions 2, 4 and 5 respectively. It has a role as a metabolite.
The molecule OCCC1=CC=C(C=C1)C#N OCCC1=CC=C(C=C1)C#N is 4-(2-Hydroxyethyl)benzonitrile. It is also related to or classified as nitrile  . It is also related to or classified as benzenes .
The molecule C1=C(C=C(C(=C1O)[O-])Br)C(=O)O is a dihydroxybenzoate that is the conjugate base of 3-bromo-4,5-dihydroxybenzoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of a 3-bromo-4,5-dihydroxybenzoic acid.
The molecule C1=CC(=CC=C1CCC2=CC(=CC(=C2)O)O)O is a stilbenol that is 1,1'-ethane-1,2-diyldibenzene with hydroxy groups at positions 1, 3 and 4'. It has a role as a xenobiotic metabolite and a plant metabolite.
The molecule Nc1cc(N)nc(N)n1 Nc1cc(N)nc(N)n1 is an aminopyrimidine in which a pyrimidine core carries amino substituents at positions 2, 4 and 6. It is also related to or classified as aminopyrimidine .
The molecule N1(CC2=CC=C(C=C2)C#N)C=CN=C1 N1(CC2=CC=C(C=C2)C#N)C=CN=C1 is 4-(1H-imidazol-1-ylmethyl)benzonitrile. It is also related to or classified as nitrile  . It is also related to or classified as benzenes .