anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CC1=CC(=O)[C@]2([C@H](O2)C(=O)CC(C)C)C(=O)N1 CC1=CC(=O)[C@]2([C@H](O2)C(=O)CC(C)C)C(=O)N1 is an antimicrobial and cytotoxic natural product isolated from the mycophylic fungus Cladobotryum rubrobrunnescens. It has the role of mycotoxin . It has the role of antibacterial agent . It has the role of antineoplastic agent . It has the role of antifungal agent . It has the role of Aspergillus metabolite .   It is also related to or classified as delta-lactam  . It is also related to or classified as spiro-epoxide , triketone .
The molecule NC(O)=O NC(O)=O is A one-carbon compound that is ammonia in which one of the hydrogens is replaced by a carboxy group. Although carbamic acid derivatives are common, carbamic acid itself has never been synthesised. It has the role of Escherichia coli metabolite . It is a conjugate acid of carbamate . It is also related to or classified as organonitrogen compound , carbon oxoacid , one-carbon compound .
The molecule C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O[C@@H]3[C@H](O[C@H]([C@@H]3O)N4C=NC5=C(N=CN=C54)N)COP(=O)(O)O[C@@H]6[C@H](O[C@H]([C@@H]6O)N7C=NC8=C7N=C(NC8=O)N)COP(=O)(O)O[C@@H]9[C@H](O[C@H]([C@@H]9O)N1C=NC2=C(N=CN=C21)N)COP(=O)(O)O[C@@H]1[C@H](O[C@H]([C@@H]1O)N1C=NC2=C(N=CN=C21)N)COP(=O)(O)O[C@@H]1[C@H](O[C@H]([C@@H]1O)N1C=NC2=C1N=C(NC2=O)N)COP(=O)(O)O[C@@H]1[C@H](O[C@H]([C@@H]1O)N1C=NC2=C1N=C(NC2=O)N)COP(=O)(O)O[C@@H]1[C@H](O[C@H]([C@@H]1O)N1C=NC2=C1N=C(NC2=O)N)COP(=O)(O)O[C@@H]1[C@H](O[C@H]([C@@H]1O)N1C=CC(=O)NC1=O)CO)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N1C=NC2=C(N=CN=C21)N)O)O)O is a synthetic RNA fragment comprised of one uridine, one cytidine, four adenosine and four guanosine residues connected by 3'->5' phosphodiester linkages in the sequence U-G-G-G-A-A-G-A-C-A.
The molecule OC(=O)\C=C/C(O)=O.CN1CCC2=C(C1)C1=C(CC3=C2C=CC=C3)C=CC=C1 OC(=O)\C=C/C(O)=O.CN1CCC2=C(C1)C1=C(CC3=C2C=CC=C3)C=CC=C1 is A maleate salt obtained by reaction of setiptiline with one equivalent of maleic acid. It has the role of alpha-adrenergic antagonist . It has the role of serotonergic antagonist . It is also related to or classified as maleate salt , tetracyclic antidepressant .
The molecule CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5NC(C)=O)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5NC(C)=O)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O is A branched amino hexasaccharide derivative that is beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-beta-D-GlcNAc in which the mannosyl group is substituted at position 3 by a beta-D-GlcNAc-(1->2)-[beta-D-GlcNAc-(1->6)]-alpha-D-Man group. It is also related to or classified as glucosamine oligosaccharide , amino hexasaccharide .
The molecule [H][C@]12CC3=C(C=CC=C3)[C@](C)([NH2+]1)C1=C2C=CC=C1 [H][C@]12CC3=C(C=CC=C3)[C@](C)([NH2+]1)C1=C2C=CC=C1 is A secondary ammonium ion that is the conjugate acid of dizocilpine obtained by protonation of the secondary amino group. Major microspecies at pH 7.3. It is a conjugate acid of dizocilpine . It is also related to or classified as secondary ammonium ion  .
The molecule C1=CC=C(C=C1)[C@@H](CC(=O)[O-])[NH3+] is an optically active form of 3-ammonio-3-phenylpropanoate having (R)-configuration. It is an enantiomer of a (S)-3-ammonio-3-phenylpropanoate. It is a tautomer of a (R)-3-amino-3-phenylpropanoic acid.
The molecule C1CC2=C([C@@H](C3=CC=CC=C31)N4C=CN=C4)C(=CC(=C2)Cl)Cl.[N+](=O)(O)[O-] is an organic nitrate salt obtained by reaction of equimolar amounts of (R)-eberconazole and nitric acid. It contains a (R)-eberconazole(1+). It is an enantiomer of a (S)-eberconazole nitrate.
The molecule C/C(=C\\C(=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)/C(=O)O is an omega-carboxyacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the least hindered carboxy group of mesaconic acid. It derives from a mesaconic acid. It is a conjugate acid of a 3-methylfumaryl-CoA(5-).
The molecule CC(C)[C@@H](C(=O)O)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)N is a tripeptide composed of two L-tryptophan and one L-valine residues joined by peptide linkages. It derives from a L-tryptophan and a L-valine.
The molecule CCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@@H](/C=C/CCCCCCCCCCCCC)O is a sphingomyelin 34:1 in which the N-acyl group and sphingoid base are specified as hexadecanoyl and sphingosine respectively. It has a role as a mouse metabolite. It derives from a hexadecanoic acid.
The molecule CC(C)C#CC1=CC=C(C=C1)[C@H]2[C@@H]3CN(CC(=O)N3[C@@H]2CO)C(=O)C4=CC5=C(C=C4)OCO5 CC(C)C#CC1=CC=C(C=C1)[C@H]2[C@@H]3CN(CC(=O)N3[C@@H]2CO)C(=O)C4=CC5=C(C=C4)OCO5 is (6R,7S,8S)-4-[1,3-benzodioxol-5-yl(oxo)methyl]-8-(hydroxymethyl)-7-[4-(3-methylbut-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(O)(=O)OC[C@H](N)C(O)=O CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(O)(=O)OC[C@H](N)C(O)=O is A 1-acyl-sn-glycerophosphoserine in which the acyl group is specified as stearoyl (octadecanoyl). Its functional parent is octadecanoic acid . It is a conjugate acid of 1-stearoyl-sn-glycero-3-phosphoserine(1-) . It is also related to or classified as 1-acyl-sn-glycero-3-phosphoserine  .
The molecule CN(C[C@H]1[C@@H]([C@H](N1CC2CC2)CO)C3=CC=CC=C3)C(=O)C4=CC(=CC=C4)F CN(C[C@H]1[C@@H]([C@H](N1CC2CC2)CO)C3=CC=CC=C3)C(=O)C4=CC(=CC=C4)F is N-[[(2R,3S,4S)-1-(cyclopropylmethyl)-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-3-fluoro-N-methylbenzamide. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule C/C=C(\\C)/C(=O)O[C@@H]1CC[C@]2(CO2)[C@]3([C@H]1[C@@]([C@@H](C[C@@H]3OC(=O)C)C)(C)C[C@@H](C4=CC(=O)OC4)OC(=O)C)COC(=O)C is a diterpene lactone isolated from the whole plants of Ajuga ciliata. It has a role as a plant metabolite. It is an acetate ester, a butenolide, a diterpene lactone, an enoate ester and a spiro-epoxide.
The molecule CN1C(COP(=O)(NCCBr)NCCBr)=CN=C1[N+]([O-])=O CN1C(COP(=O)(NCCBr)NCCBr)=CN=C1[N+]([O-])=O is A member of the class of imidazoles that is 1H-imidazole substituted by methyl, nitro, and ({bis[(2-bromoethyl)amino]phosphoryl}oxy)methyl groups at positions 1, 2 and 5, respectively. It is a hypoxia-activated prodrug that targets hypoxic regions of tumors. The drug was being evaluated for first-line treatment of advanced pancreatic adenocarcinoma and advanced soft tissue sarcoma, in combination with chemotherapy (phase 3 trial now discontinued since the drug did not meet primary endpoints). It has the role of alkylating agent . It has the role of antineoplastic agent . It has the role of prodrug .   It is also related to or classified as organobromine compound  . It is also related to or classified as imidazoles , C-nitro compound , tertiary amino compound , phosphorodiamidate ester .
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)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O)CO)CO)O)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)O is a branched aminopentasaccharide comprising beta-D-glucose at the reducing end with a beta-D-galactosyl-(1->4)-[beta-D-glucosyl-(1->6)]-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl moiety at the 4-position. It is an amino pentasaccharide and a glucosamine oligosaccharide.
The molecule O=C1C=C(OC2=C1SC=C2C1=CC2=C(OCCO2)C=C1)N1CCOCC1 O=C1C=C(OC2=C1SC=C2C1=CC2=C(OCCO2)C=C1)N1CCOCC1 is A member of the class of thienopyrans that is 7H-thieno[3,2-b]pyran-7-one substituted by 2,3-dihydro-1,4-benzodioxin-6-yl and morpholin-4-yl groups at positions 3 and 5, respectively. It is a dual inhibitor of PI3K and BRD4 that exhibits antineoplastic activity. It has the role of bromodomain-containing protein 4 inhibitor . It has the role of autophagy inducer . It has the role of anticoronaviral agent . It has the role of antineoplastic agent . It has the role of EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor . It has the role of apoptosis inducer . It is also related to or classified as morpholines , thienopyran , benzodioxine .
The molecule C(=O)[C@@H]([C@H]([C@H](C(=O)[O-])O)O)O is an arabinuronate that is the conjugate base of L-arabinuronic acid, obtained by the deprotonation of the carboxy group. Major species at pH 7.3. It is a conjugate base of a L-arabinuronic acid.
The molecule [H][C@@]12CC[C@](O)([C@@H](O)CO)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C [H][C@@]12CC[C@](O)([C@@H](O)CO)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C is A glucocorticoid that is prednisone in which the oxo group at position 20 is replaced by a hydroxy group. It is a metabolite of prednisone found in human urine. It has the role of human urinary metabolite . Its functional parent is prednisone .     It is also related to or classified as 11-oxo steroid  . It is also related to or classified as C21-steroid  . It is also related to or classified as 3-oxo-Delta(1),Delta(4)-steroid  . It is also related to or classified as glucocorticoid , 17alpha-hydroxy steroid , 21-hydroxy steroid , 20-hydroxy steroid .
The molecule CC1=CC(=O)[C@@]2([C@@H](O2)C(=O)CC(C)C)C(=O)N1 CC1=CC(=O)[C@@]2([C@@H](O2)C(=O)CC(C)C)C(=O)N1 is an antimicrobial and cytotoxic natural product isolated from Aspergillus flavipes. It has the role of mycotoxin . It has the role of antibacterial agent . It has the role of antineoplastic agent . It has the role of antifungal agent . It has the role of Aspergillus metabolite .   It is also related to or classified as delta-lactam  . It is also related to or classified as spiro-epoxide , triketone .
The molecule C1(OC2=C(O1)C(=O)NC(C)=C2)C(=O)CC(C)C C1(OC2=C(O1)C(=O)NC(C)=C2)C(=O)CC(C)C is A natural product found in Aspergillus flavipes with weak cytotoxicity against human leukemia HL-60 cells. It has the role of mycotoxin . It has the role of antineoplastic agent . It has the role of Aspergillus metabolite . It is also related to or classified as ketone  .   It is also related to or classified as delta-lactam  . It is also related to or classified as dioxolane , cyclic acetal .
The molecule CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OC[C@H](N)C(O)=O)OC(=O)CCCCCCC\C=C/CCCCCCCC CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OC[C@H](N)C(O)=O)OC(=O)CCCCCCC\C=C/CCCCCCCC is A 3-sn-phosphatidyl-L-serine in which the phosphatidyl acyl groups at positions 1 and 2 are specified as stearoyl and oleoyl respectively. It has the role of mouse metabolite . Its functional parent is oleic acid . Its functional parent is octadecanoic acid . It is a conjugate acid of 1-stearoyl-2-oleoyl-sn-glycero-3-phosphoserine(1-) . It is also related to or classified as phosphatidylserine(18:0/18:1)  .
The molecule CC(=C1CC[C@@]([C@@H](C1)C(=C)C)(C)C=C)C is a sesquiterpene that is cyclohexane substituted at positions 1, 1, 2, and 4 by methyl, vinyl, isopropenyl and isopropylidene groups, respectively (the S,S stereoisomer). It has a role as a plant metabolite and a volatile oil component. It is a sesquiterpene, a monocyclic hydrocarbon and an olefinic compound.
The molecule C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO is a hydroxamic acid-type histone deacetylase (HDAC) inhibitor with antineoplastic activity. It has a role as an antineoplastic agent and an EC 3.5.1.98 (histone deacetylase) inhibitor. It is a hydroxamic acid, a sulfonamide and an olefinic compound.
The molecule [H][C@]12CC3=C(C=CC=C3)[C@](C)(N1)C1=C2C=CC=C1 [H][C@]12CC3=C(C=CC=C3)[C@](C)(N1)C1=C2C=CC=C1 is an organic heterotetracyclic compound that is 1-methyl-8-azabicyclo[3.2.1]octane ortho-fused to two benzene rings at positions 2-3 and 6-7 (the 5S,10R-stereoisomer). It is a non-competitive antagonist of the N-methyl-D-aspartate (NMDA) receptor and affects cognitive function, learning, and memory. It has the role of anticonvulsant . It has the role of anaesthetic . It has the role of nicotinic antagonist . It has the role of NMDA receptor antagonist . It has the role of neuroprotective agent . It is also related to or classified as tetracyclic antidepressant , secondary amino compound .
The molecule CC(=CCC/C(=C/CC/C(=C/CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\COP(=O)([O-])OP(=O)([O-])O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)NC(=O)C)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)C is an organophosphate oxoanion obtained by deprotonation of the diphosphate OH groups of alpha-D-mannosyl-(1->3)-N-acetyl-alpha-D-glucosaminyl-1-diphospho-ditrans,polycis-undecaprenol. Major species at pH 7.3. It is a conjugate base of an alpha-D-mannosyl-(1->3)-N-acetyl-alpha-D-glucosaminyl-1-diphospho-ditrans,polycis-undecaprenol.
The molecule COC(=O)C1=C(C=CC2=CC(=CN=C21)Cl)Cl is the methyl ester of quinclorac. Used as an agricultural herbicide. It has a role as a herbicide and an agrochemical. It derives from a quinclorac.
The molecule COC1=NN=C2C=CC(=NN12)N1CCC(CC1)C1=CC=C(OCCN2CCN(C)C(=O)[C@H]2C)C=C1 COC1=NN=C2C=CC(=NN12)N1CCC(CC1)C1=CC=C(OCCN2CCN(C)C(=O)[C@H]2C)C=C1 is A member of the class of triazolopyridazines that is [1,2,4]triazolo[4,3-b]pyridazine substituted by methoxy and 4-(4-{2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy}phenyl)piperidin-1-yl groups at positions 3 and 6, respectively. It is an orally bioavailable bivalent inhibitor of bromodomain-containing protein 4 with potential antineoplastic activity. It has the role of bromodomain-containing protein 4 inhibitor . It has the role of antineoplastic agent . It has the role of apoptosis inducer . It is also related to or classified as piperidines , aromatic ether , piperazinone , N-methylpiperazine , triazolopyridazine .
The molecule CS(=O)(=O)N1C[C@H]2[C@H]([C@H](N2C(=O)C1)CO)C3=CC=C(C=C3)Br CS(=O)(=O)N1C[C@H]2[C@H]([C@H](N2C(=O)C1)CO)C3=CC=C(C=C3)Br is (6R,7R,8S)-7-(4-bromophenyl)-8-(hydroxymethyl)-4-methylsulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@H]1C\C=C/CC(O)=O CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@H]1C\C=C/CC(O)=O is 2,3-dinor-8-epi-prostaglandin F2alpha. It is also related to or classified as prostaglandin F2alpha  . It is also related to or classified as prostanoid  .
The molecule [H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)O[C@H](CO)[C@@H]2O)[C@H](NC(C)=O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@]([H])(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@@H]1O)C(O)=O)[C@H](O)[C@H](O)CO [H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)O[C@H](CO)[C@@H]2O)[C@H](NC(C)=O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@]([H])(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@@H]1O)C(O)=O)[C@H](O)[C@H](O)CO is A branched amino pentasaccharide comprising a chain of alpha-N-acetylneuraminyl, N-acetyl-beta-D-glucosaminyl and beta-D-galactose residues linked sequentially (2->6) and (1->3), to the N-acetyl-beta-D-glucosaminyl residue of which is also attached via a beta(1->3) linkage an N-acetylneuraminyl-(1->3)-D-galactosyl disaccharide side-chain. A 5-aminopentyl linker may be attached to the oxygen at position 1 of the reducing-end galactose residue. It is also related to or classified as glucosamine oligosaccharide , amino pentasaccharide .
The molecule O=c1[nH]c2[nH]c(=O)[nH]c(=O)c2[nH]1 O=c1[nH]c2[nH]c(=O)[nH]c(=O)c2[nH]1 is an oxopurine in which the purine ring is substituted by oxo groups at positions 2, 6, and 8. It has the role of mouse metabolite . It has the role of Escherichia coli metabolite . It has the role of human metabolite . It is also related to or classified as uric acid .
The molecule CS(=O)(=O)N1CC2(C1)[C@@H]([C@H](N2C(=O)C3CCC3)CO)C4=CC=CC=C4 CS(=O)(=O)N1CC2(C1)[C@@H]([C@H](N2C(=O)C3CCC3)CO)C4=CC=CC=C4 is cyclobutyl-[(2S,3R)-2-(hydroxymethyl)-6-methylsulfonyl-3-phenyl-1,6-diazaspiro[3.3]heptan-1-yl]methanone. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule C1CC(=O)C(C1CC(=O)[O-])C/C=C\\CCO is a hydroxy monocarboxylic acid anion that is the conjugate base of 12-hydroxyjasmonic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a 5-oxo monocarboxylic acid anion and a hydroxy monocarboxylic acid anion.
The molecule [H]OO[C]=O [H]OO[C]=O is (hydridodioxido)oxidocarbon(.). It is a conjugate acid of (dioxido)oxidocarbonate(.1-) . It is also related to or classified as carbon oxoacid .
The molecule CC(=O)N[C@H]1[C@@H](O)[C@H](OP(O)(O)=O)[C@@H](CO)O[C@H]1O[C@H]1[C@H](O)[C@@H](O)[C@H](O)O[C@@H]1CO CC(=O)N[C@H]1[C@@H](O)[C@H](OP(O)(O)=O)[C@@H](CO)O[C@H]1O[C@H]1[C@H](O)[C@@H](O)[C@H](O)O[C@@H]1CO is the amino disaccharide beta-D-ManpNAc-(1->4)-beta-D-Glcp phosphorylated at O-4 of the mannosyl residue. It is also related to or classified as amino disaccharide , disaccharide phosphate .
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)O[C@H]3[C@@H]([C@H](OC([C@@H]3O)O)CO)O)CO)O)CO)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O is an amino tetrasaccharide comprising residues of galactose, N-acetylglucosamine, galactose and glucose in a linear sequence, all joined by beta-(1->3)-linkages. It is an amino tetrasaccharide and a glucosamine oligosaccharide.
The molecule O1C(C(O)(COC)C)CC2=C1C=C(O)C3=C2N(C=4C(C3=O)=CC=CC4)C O1C(C(O)(COC)C)CC2=C1C=C(O)C3=C2N(C=4C(C3=O)=CC=CC4)C is Gravacridonediol methyl ether. Its functional parent is acridone . It is also related to or classified as acridines .
The molecule COc1ccc(cc1O)-c1coc2cc(O)ccc2c1=O COc1ccc(cc1O)-c1coc2cc(O)ccc2c1=O is A member of the class of 7-hydroxyisoflavones that is 7-hydroxyisoflavone which is substituted by an additional hydroxy group at the 3' position and a methoxy group at the 4' position. It has the role of antioxidant . It has the role of metabolite . Its functional parent is isoflavone . It is a conjugate acid of calycosin(1-) . It is also related to or classified as 4'-methoxyisoflavones  . It is also related to or classified as 7-hydroxyisoflavones  .
The molecule CCCCCCCCCCCCCCCC[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C(=O)O[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1OC(=O)CCCCCCCCCCCCCCC)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)OS(=O)(=O)O)CO)O is a sulfoglycolipid in which alpha,alpha-trehalose, sulfated at the 2'-position, is acylated at the 2-position with palmitic acid, and at the 3-position with (2S,4S,6S,8S)-2,4,6,8-tetramethyltetracosanoic acid. It is a sulfoglycolipid and a polyacyl alpha,alpha-trehalose derivative. It derives from an alpha,alpha-trehalose.
The molecule OC1=C(CC=C(C)C)C(O)=CC(OC)=C1 OC1=C(CC=C(C)C)C(O)=CC(OC)=C1 is 5-methoxy-2-(3-methylbut-2-en-1-yl)benzene-1,3-diol. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O[C@H]2[C@@H]([C@H](C=C(O2)C(=O)O)O)O is an amino disaccharide consisting of N-acetyl-beta-D-galactosamine having a 4-deoxy-alpha-L-threo-hex-4-enopyranuronosyl residue attached at the 3-position. It is an amino disaccharide and a monocarboxylic acid. It is a conjugate acid of a beta-D-4-deoxy-Delta(4)-GlcpA-(1->3)-beta-D-GalpNAc(1-).
The molecule CCCCCCCCCCCCCC[C@@H](O)C(O)=O CCCCCCCCCCCCCC[C@@H](O)C(O)=O is the R-enantiomer of 2-hydroxypalmitic acid. It is a conjugate acid of (R)-2-hydroxyhexadecanoate . It is also related to or classified as 2-hydroxyhexadecanoic acid  .
The molecule C([C@@H](C(=O)[O-])[NH3+])ONC(=O)N is an L-alpha-amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of O-ureido-L-serine. It is a tautomer of an O-ureido-L-serine.
The molecule C[C@H]1[C@@H](C[C@H]([C@@H](O1)OCCCCCCC/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)-10-hydroxydec-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 an (E)-10-hydroxydec-2-enoic acid. It is a conjugate acid of an oscr#15(1-).
The molecule CCCCCCCCCCCCCCCCC[C@H]([C@H](CO)NC(=O)CCCCCCCCCCCCCCCCC)O is a ceramide that is the N-stearoyl (octadecanoyl) derivative of eicosasphinganine. It is a C20 dihydroceramide and a N-stearoyl-sphingoid base.
The molecule C1=CC2=C(C(=C1)OCC(COC3=CC=CC4=C3C(=O)C=C(O4)C(=O)O)O)C(=O)C=C(O2)C(=O)O is a dicarboxylic acid that is the bis-chromone derivative of glycerol. It is effective as a mast cell stabilizer. It has a role as a calcium channel blocker and an anti-asthmatic drug. It is a dicarboxylic acid and a member of chromones. It is a conjugate acid of a cromoglycate(1-).
The molecule [O-]S(=O)S(=O)[O-].[Na+].[Na+] is an inorganic sodium salt that is the disodium salt of dithionous acid. It has a role as a reducing agent and a bleaching agent. It contains a dithionite(2-).
The molecule OC(=O)\C=C/C(O)=O.[H][C@]12CC3=C(C=CC=C3)[C@](C)(N1)C1=C2C=CC=C1 OC(=O)\C=C/C(O)=O.[H][C@]12CC3=C(C=CC=C3)[C@](C)(N1)C1=C2C=CC=C1 is A maleate salt obtained by reaction of dizocilpine with one equivalent of maleic acid. It has the role of anticonvulsant . It has the role of anaesthetic . It has the role of nicotinic antagonist . It has the role of NMDA receptor antagonist . It has the role of neuroprotective agent . It is also related to or classified as maleate salt , tetracyclic antidepressant .
The molecule CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)COP(=O)(O)O)O is a adenosine 5'-phosphate that is the 2'-O-methyl derivative of adenosine 5'-monophosphate. It is an adenosine 5'-phosphate and a purine ribonucleoside 5'-monophosphate. It derives from an adenosine 5'-monophosphate.
The molecule C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCCN(C)C)[C@H](C)CO)C)CN(C)S(=O)(=O)C3=CC=CC=C3 C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCCN(C)C)[C@H](C)CO)C)CN(C)S(=O)(=O)C3=CC=CC=C3 is N-[(3R,9S,10S)-9-[[benzenesulfonyl(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]-4-(dimethylamino)butanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCCCCCCCCCCCCCC(O)C(=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 CCCCCCCCCCCCCCC(O)C(=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 A hydroxy fatty-acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 2-hydroxypalmitic acid. Its functional parent is 2-hydroxyhexadecanoic acid . It is a conjugate acid of 2-hydroxypalmitoyl-CoA(4-) . It is also related to or classified as long-chain fatty acyl-CoA  .  It is also related to or classified as 11,12-saturated fatty acyl-CoA  . It is also related to or classified as hydroxy fatty acyl-CoA .
The molecule CC1=NOC(=C1)CCCCCOC2=C(C=C(C=C2)C3=NCCO3)Cl is an isoxazole compound having a metyl substituent at the 3-position and a 5-[2-chloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl substituent at the 5-position. It has a role as an antiviral agent. It is a member of isoxazoles and a member of monochlorobenzenes.
The molecule N[C@H]1[C@H](O)O[C@H](CO)[C@H](O)[C@@H]1O N[C@H]1[C@H](O)O[C@H](CO)[C@H](O)[C@@H]1O is A deoxygalactose derivative that is beta-D-galactose in which the hydroxy group at position 2 has been replaced by an amino group. It has the role of Escherichia coli metabolite . Its functional parent is beta-D-galactose . It is also related to or classified as amino sugar , deoxygalactose derivative .