anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CN(C)CCC1=CNC2=C1C=C(C=C2)C[C@H]3COC(=O)N3 is a member of the class of tryptamines that is N,N-dimethyltryptamine in which the hydrogen at position 5 of the indole ring has been replaced by a [(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl group. A serotonin 5-HT1 B and D receptor agonist, it is used for the treatment of migraine. It has a role as a serotonergic agonist, a vasoconstrictor agent and an anti-inflammatory drug. It is a member of tryptamines and an oxazolidinone. It derives from a N,N-dimethyltryptamine.
The molecule C[N+](C)(C)CC(=O)CC([O-])=O C[N+](C)(C)CC(=O)CC([O-])=O is an ammonium betaine that is the conjugate base of 3-dehydrocarnitinium; major species at pH 7.3. It has the role of human metabolite . It is also related to or classified as ammonium betaine .
The molecule C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC4=C(C=C3)OCO4)[C@H](C)CO)C)CN(C)C C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC4=C(C=C3)OCO4)[C@H](C)CO)C)CN(C)C is 1-(1,3-benzodioxol-5-yl)-3-[(3R,9S,10S)-9-[(dimethylamino)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]urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule O=C1C2=C(O)C=3C(=CC(O[C@@H]4O[C@H]([C@H](OC)[C@H]([C@@H]4OC)O)C)=C(C3C)C(=O)OC)C=C2C(=O)[C@]5([C@]1(OC)C(=O)C=C(OC)[C@@H]5O)O O=C1C2=C(O)C=3C(=CC(O[C@@H]4O[C@H]([C@H](OC)[C@H]([C@@H]4OC)O)C)=C(C3C)C(=O)OC)C=C2C(=O)[C@]5([C@]1(OC)C(=O)C=C(OC)[C@@H]5O)O is Elloramycin C. It is also related to or classified as quinone  . It is also related to or classified as tetracenes .
The molecule CCCCCCCCCCCCCCCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C CCCCCCCCCCCCCCCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C is an O-acylcarnitine having nonadecanoyl as the acyl substituent. Its functional parent is nonadecanoic acid .  It is also related to or classified as carboxylic ester  . It is also related to or classified as O-acylcarnitine , ammonium betaine .
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)OC[C@@H]4[C@@H]([C@@H]([C@H](C(O4)O)NC(=O)C)O)O)NC(=O)C)CO)O)O[C@@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)O)O)O is a branched amino pentasaccharide comprising a linear tetrasaccharide chain of alpha-D-galactose, beta-D-galactose, N-acetyl-beta-D-glucosamine and N-acetyl-beta-D-galactosamine residues linked sequentially (1->3), (1->3) and (1->6), to the beta-D-galactose residue of which is also linked (1->2) an alpha-L-fucose residue. It is an amino pentasaccharide, a galactosamine oligosaccharide and a glucosamine oligosaccharide.
The molecule C[C@]12[C@H]3[C@@H]([C@@]45C[C@@H](CC[C@H]4[C@@]3(C[C@@H]([C@@H]1O)O)OC2=O)C(=C)C5)C(=O)O is a lactone, a C19-gibberellin and a gibberellin monocarboxylic acid. It is a conjugate acid of a gibberellin A34(1-).
The molecule [NH3+]CCCC[C@H](NC(=O)OCC1=CC=CC=C1)C(=O)SCC1=CC=CC=C1 [NH3+]CCCC[C@H](NC(=O)OCC1=CC=CC=C1)C(=O)SCC1=CC=CC=C1 is A primary ammonium ion that is the conjugate acid of thiobenzyl benzyloxycarbonyl-L-lysinate resulting from the protonation of the primary amino group; major species at pH 7.3. It is a conjugate acid of thiobenzyl benzyloxycarbonyl-L-lysinate . It is also related to or classified as primary ammonium ion  .
The molecule CCCCCC[C@H](C)[C@@H]1CC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O1)CC2=CC=CC=C2)C)CC(C)C)C(C)C is a 19-membered cyclodepsipeptide consisting of a 3-hydroxy-4-methyldecanoyl moiety linked to the peptide sequence of 5 amino acids. Isolated from the fermentation broth of marine actinomycete Salinispora arenicola, it has been found to block tumour necrosis factor (TNF)-induced activation of NFkappaB-Luc human embryonic kidney cells. It has a role as a metabolite and an antineoplastic agent. It is a cyclodepsipeptide and a macrocycle. It derives from a (3S,4S)-3-hydroxy-4-methyldecanoic acid.
The molecule OC(=O)CCNCCCCNCCCN OC(=O)CCNCCCCNCCCN is Spermic acid 1. Its functional parent is beta-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
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](NC(C)=O)[C@H](OC[C@H]3O[C@H](O)[C@H](NC(C)=O)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3O)O[C@@H]2CO)[C@H](O)[C@@H](O)[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](NC(C)=O)[C@H](OC[C@H]3O[C@H](O)[C@H](NC(C)=O)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O)C(O)=O)[C@H](O)[C@H](O)CO is A branched amino pentasaccharide comprising a linear tetrasaccharide chain of alpha-N-acetylneuraminyl, beta-D-galactose, N-acetyl-beta-D-glucosamine and N-acetyl-alpha-D-galactosamine residues linked sequentially (2->6), (1->4) and (1->6), to the N-acetyl-alpha-D-galactosamine residue at the reducing end of which is also linked (1->3) a further beta-D-galactose residue. It is also related to or classified as galactosamine oligosaccharide , glucosamine oligosaccharide , amino pentasaccharide .
The molecule C[C@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)CCN3CCOCC3)O[C@@H]1CN(C)S(=O)(=O)C4=CC=C(C=C4)F)[C@H](C)CO C[C@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)CCN3CCOCC3)O[C@@H]1CN(C)S(=O)(=O)C4=CC=C(C=C4)F)[C@H](C)CO is N-[(2S,3S)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide. Its functional parent is beta-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule O=C1C2=C(O)C=3C(=CC(O[C@@H]4O[C@@H]([C@H](OC)[C@@H]([C@H]4O)OC)C)=C(C3C)C(=O)OC)C=C2C(=O)[C@]5([C@@]1(O)C(=O)C=C(OC)[C@@H]5O)O O=C1C2=C(O)C=3C(=CC(O[C@@H]4O[C@@H]([C@H](OC)[C@@H]([C@H]4O)OC)C)=C(C3C)C(=O)OC)C=C2C(=O)[C@]5([C@@]1(O)C(=O)C=C(OC)[C@@H]5O)O is Elloramycin B. It is also related to or classified as quinone  . It is also related to or classified as tetracenes .
The molecule C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)CC3CCCCC3 C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)CC3CCCCC3 is 1-[(3S,9R,10S)-9-[[cyclohexylmethyl(methyl)amino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC1=NC2=C(C=C1)C(=CC(=C2O)Cl)Cl is a monohydroxyquinoline that is quinolin-8-ol which is substituted by a methyl group at position 2 and by chlorine at positions 5 and 7. An antifungal and antibacterial, it was formerly used for topical treatment of skin conditions and vaginal infections. It has a role as an antibacterial drug, an antiseptic drug and an antiprotozoal drug. It is an organochlorine compound and a monohydroxyquinoline.
The molecule C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-] is a C-nitro compound comprising phenol having three nitro substtituents at the 2-, 4- and 6-positions. It has a role as an explosive, an antiseptic drug and a fixative. It derives from a 1,3,5-trinitrobenzene and a phenol. It is a conjugate acid of a picrate anion.
The molecule CC(=CCNC1=C2C(=NC=N1)N(C=N2)[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C is a glucosyl-N(6)-isopentenyladenine in which the glucosyl moiety is in the pyranose form, has alpha-D-configuration and is located at position N-9. It is a glucosyl-N(6)-isopentenyladenine and a N-glycosyl compound.
The molecule C1(=O)N2C(=NC3=C1NC(N3)=O)NC=C2CC(CCCCC)=O C1(=O)N2C(=NC3=C1NC(N3)=O)NC=C2CC(CCCCC)=O is A nucleobase adduct that is the 2-oxo derivative of 7-(2'-oxo-heptyl)-1,N(2)-ethenoguanine. Its functional parent is guanine . It is also related to or classified as oxopurine .
The molecule CC(C)N(C[C@H]1[C@@H]([C@H](N1S(=O)(=O)C)CO)C2=CC=CC=C2)C(=O)CN(C)C CC(C)N(C[C@H]1[C@@H]([C@H](N1S(=O)(=O)C)CO)C2=CC=CC=C2)C(=O)CN(C)C is 2-(dimethylamino)-N-[[(2R,3S,4S)-4-(hydroxymethyl)-1-methylsulfonyl-3-phenyl-2-azetidinyl]methyl]-N-propan-2-ylacetamide. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule CC(=CCC/C(=C/CC/C(=C/C[C@]12[C@H](O1)[C@@H](C(=CC2=O)OC)OC(=O)C)/C)/C)C is a class II yanuthone that is yanuthone X2 in which the hydroxy group at position 4 of the 5,6-epoxycyclohex-2-en-1-one core has been converted to the corresponding acetate ester. Like yanuthone X2, yanuthone X1 has been isolated from the filamentous fungus Aspergillus niger, but shows much lower antifungal activity towards the pathogenic yeast Candida albicans than yanuthone X2 (IC50 >100 muM for yanuthone X1, compared with = 51.7 +-4.7 muM for yanuthone X2). It has a role as an Aspergillus metabolite. It is a class II yanuthone, an enol ether and an acetate ester. It derives from a yanuthone X2.
The molecule C(C(=O)O)NC(=O)C(F)(F)F is an N-acylglycine resulting from the formal condensation of the amino group of glycine with the carboxy group of trifluoroacetic acid. It is a N-acylglycine, a secondary carboxamide and a trifluoroacetamide.
The molecule CC(C)(CCCCCCCCCCC(C)(C)CC(=O)O)CC(=O)O is an alpha,omega-dicarboxylic acid that is hexadecanedioic acid carrying methyl groups at positions 3 and 14. It is a free fatty acid 1 (FFA1/GPR40) receptor agonist and an ATP citrate lyase inhibitor, and exhibits hypolipidemic and antidiabetogenic properties. It has a role as an antilipemic drug, an EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor, an EC 2.3.3.8 (ATP citrate synthase) inhbitor, a G-protein-coupled receptor agonist and a hypoglycemic agent.
The molecule [C@H]1(C[C@H]([C@@H](CO1)NC=O)O)O[C@@H]2[C@@H]([C@H](O[C@@H]([C@H]2NC=O)C)O)O [C@H]1(C[C@H]([C@@H](CO1)NC=O)O)O[C@@H]2[C@@H]([C@H](O[C@@H]([C@H]2NC=O)C)O)O is an amino disaccharide consisting of a 4-formamido-alpha-D-threo-pentopyranosyl residue linked (1->3) to anN-formyl-alpha-D-perosamine residue. It is also related to or classified as amino disaccharide .
The molecule C/C=C/C1=C(C(=O)C2=C(O1)[C@H](NC2=O)O)O is a member of the class of pyranopyrroles that is 2-[(1E)-prop-1-en-1-yl]-6,7-dihydropyrano[2,3-c]pyrrole-4,5-dione carrying two additional hydroxy substituents at positions 3 and 7. Originally isolated from Aspergillus niger. It has a role as an Aspergillus metabolite, a marine metabolite and an antioxidant. It is a pyranopyrrole, a gamma-lactam, an enol, a secondary alcohol and a cyclic ketone.
The molecule Br.[H][C@]12C[C@@H](O)C=C[C@]11CCN(C)CC3=C1C(O2)=C(OC)C=C3 Br.[H][C@]12C[C@@H](O)C=C[C@]11CCN(C)CC3=C1C(O2)=C(OC)C=C3 is the hydrobromide salt of galanthamine. It is also related to or classified as hydrobromide  .
The molecule C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CC3=CC=CC=C3)[C@@H](C)CO)C)CNC C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CC3=CC=CC=C3)[C@@H](C)CO)C)CNC is N-[(3R,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-phenylacetamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C1C(CSS1)C(=O)[O-] is a monocarboxylic acid anion and a member of dithiolanes. It is a conjugate base of an asparagusic acid. It derives from a hydride of a 1,2-dithiolane.
The molecule CCNC(=O)N1CCN(CCCC(C2=CC=C(F)C=C2)C2=CC=C(F)C=C2)CC1 CCNC(=O)N1CCN(CCCC(C2=CC=C(F)C=C2)C2=CC=C(F)C=C2)CC1 is A member of the class of ureas that is urea in which three of the four hydrogens are replaced by ethyl and 4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl groups. An atypical antipsychotic which was in clinical development for the treatment of schizophrenia and substance-related disorders. It is a potent 5-HT2A antagonist and used in veterinary medicine because of its sedative effect on pigs. It has the role of geroprotector . It has the role of anxiolytic drug . It has the role of serotonergic antagonist . It has the role of dopamine uptake inhibitor . It has the role of second generation antipsychotic . It is also related to or classified as secondary carboxamide  .    It is also related to or classified as monofluorobenzenes  . It is also related to or classified as N-alkylpiperazine , ureas , diarylmethane .
The molecule COc1cc(O)c(C(=O)CCc2ccccc2)c(O)c1 COc1cc(O)c(C(=O)CCc2ccccc2)c(O)c1 is A member of the class of dihydrochalcones that is dihydrochalcone substituted by hydroxy groups at positions 2' and 6' and a methoxy group at position 4' respectively. It has the role of radical scavenger . It has the role of antiplasmodial drug . Its functional parent is dihydrochalcone . It is also related to or classified as monomethoxybenzene , polyphenol , dihydrochalcones .
The molecule C(/C=C/[C@]([C@@]1([C@]2(CC[C@@]3([C@]4(CCC(C=C4CC[C@]3([C@@]2(CC1)[H])[H])=O)C)[H])C)[H])(C)[H])(=O)SCCNC(CCNC(=O)[C@@H](C(COP(OP(OC[C@H]5O[C@@H](N6C7=C(C(=NC=N7)N)N=C6)[C@@H]([C@@H]5OP(O)(O)=O)O)(=O)O)(=O)O)(C)C)O)=O C(/C=C/[C@]([C@@]1([C@]2(CC[C@@]3([C@]4(CCC(C=C4CC[C@]3([C@@]2(CC1)[H])[H])=O)C)[H])C)[H])(C)[H])(=O)SCCNC(CCNC(=O)[C@@H](C(COP(OP(OC[C@H]5O[C@@H](N6C7=C(C(=NC=N7)N)N=C6)[C@@H]([C@@H]5OP(O)(O)=O)O)(=O)O)(=O)O)(C)C)O)=O is A steroidal acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (22E)-3-oxochola-4,22-dien-24-oic acid. It is a conjugate acid of (22E)-3-oxochola-4,22-dien-24-oyl-CoA(4-) . It is also related to or classified as steroidal acyl-CoA .
The molecule C1CCN2C[C@@H]3C[C@H]([C@H]2C1)CN4[C@@H]3CCCC4 is a quinolizidine alkaloid that is sparteine in which the hydrogen atom at position 6 is in the beta-configuration. It has a role as a plant metabolite.
The molecule C=1C=CC=C2C(=CNC12)CC[NH2+]C C=1C=CC=C2C(=CNC12)CC[NH2+]C is major microspecies at pH 7.3. It is a conjugate acid of N-methyltryptamine . It is also related to or classified as methylated primary amine(1+)  . It is also related to or classified as secondary ammonium ion  .
The molecule OC(C(CCC([O-])=O)C([O-])=O)C([O-])=O OC(C(CCC([O-])=O)C([O-])=O)C([O-])=O is homoisocitrate(3-). It has the role of Saccharomyces cerevisiae metabolite . It is also related to or classified as tricarboxylic acid trianion .
The molecule CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5.CS(=O)C is an addition compound obtained by combining equimolar amounts of trametinib and dimethyl sulfoxide. Used for the treatment of patients with unresectable or metastatic melanoma with BRAF V600E or V600K mutations, and who have not received prior BRAF inhibitor treatment. It has a role as an antineoplastic agent and an EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor. It contains a dimethyl sulfoxide and a trametinib.
The molecule O=C1C2=C(O)C=3C(=CC(O[C@@H]4O[C@H]([C@H](OC)[C@H]([C@H]4OC)OC)C)=C(C3C)C(=O)OC)C(=C2C(=O)[C@@]5([C@]1(OC)C(=O)C=C(OC)[C@H]5O)O)O O=C1C2=C(O)C=3C(=CC(O[C@@H]4O[C@H]([C@H](OC)[C@H]([C@H]4OC)OC)C)=C(C3C)C(=O)OC)C(=C2C(=O)[C@@]5([C@]1(OC)C(=O)C=C(OC)[C@H]5O)O)O is Elloramycin F. It is also related to or classified as quinone  . It is also related to or classified as tetracenes .
The molecule C(CCC([O-])=O)C(/C=C/C=C\C/C=C\CCCCCCCC)=O C(CCC([O-])=O)C(/C=C/C=C\C/C=C\CCCCCCCC)=O is an icosanoid anion that is the conjugate base of (6E,8Z,11Z)-5-oxoicosatrienoic acid (5-oxo-ETrE), obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as icosanoid anion .
The molecule CCCCCCCC/C(=C\\CCCCCCCC(=O)O)/[N+](=O)[O-] is a nitro fatty acid that is (9E)-octadec-9-enoic (elaidic) acid substituted by a nitro group at position 10. It has a role as a human metabolite. It is a long-chain fatty acid, a nitro fatty acid and a monounsaturated fatty acid. It derives from an elaidic acid.
The molecule C(COS(O)(=O)=O)N C(COS(O)(=O)=O)N is 2-aminoethyl hydrogen sulfate. It is also related to or classified as EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor .
The molecule CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O is a member of the class of (trifluoromethyl)benzenes that is 4-amino-2-(trifluoromethyl)benzonitrile in which one of the amino hydrogens is substituted by a 3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanoyl group. It is a member of (trifluoromethyl)benzenes, a monocarboxylic acid amide, a member of monofluorobenzenes, a nitrile, a sulfone and a tertiary alcohol.
The molecule [NH3+]C[C@@H](CC[C@H]([NH3+])C([O-])=O)OP([O-])([O-])=O [NH3+]C[C@@H](CC[C@H]([NH3+])C([O-])=O)OP([O-])([O-])=O is conjugate base of erythro-5-phosphonooxy-L-lysine in which the carboxy and phospho groups are anionic and both primary amino groups are cationic; major species at pH 7.3. It is also related to or classified as organophosphate oxoanion .
The molecule CN(C)CC(=O)N1CC2(C1)[C@H]([C@H](N2S(=O)(=O)C)CO)C3=CC=CC=C3 CN(C)CC(=O)N1CC2(C1)[C@H]([C@H](N2S(=O)(=O)C)CO)C3=CC=CC=C3 is 2-(dimethylamino)-1-[(2S,3S)-2-(hydroxymethyl)-1-methylsulfonyl-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]ethanone. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CN4CCN=C4S3.Br C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CN4CCN=C4S3.Br is AUTEN-99 hydrobromide. It has the role of autophagy inducer . It has the role of geroprotector . It is also related to or classified as organic molecular entity .
The molecule C1[C@@H](NCC1O)C(=O)O is the D-stereoisomer of 4-hydroxyproline. It is a D-proline derivative and a 4-hydroxyproline. It is an enantiomer of a 4-hydroxy-L-proline.
The molecule NC(=O)C1=NN(C=N1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O NC(=O)C1=NN(C=N1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O is A 1-ribosyltriazole that is ribavirin in which the hydroxy group at the 5'-position is replaced by a diphosphate group. It is the metabolite of the antiviral agent ribavirin. It has the role of antiviral agent . It has the role of drug metabolite . Its functional parent is ribavirin . It is a conjugate acid of ribavirin 5'-diphosphate(3-) . It is also related to or classified as primary carboxamide  .  It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as ribose diphosphate , aromatic amide , 1-ribosyltriazole .
The molecule O([C@@H]1[C@@H](O)[C@@H](O)[C@H](OC1O)CO)C2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO O([C@@H]1[C@@H](O)[C@@H](O)[C@H](OC1O)CO)C2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO is A glycosylgalactose consisting of D-glucopyranose and D-galactopyranose residues joined in sequence by a (1->2) glycosidic bond. Its functional parent is D-galactopyranose . Its functional parent is D-glucopyranose . It is also related to or classified as partially-defined glycan , glycosylgalactose .
The molecule CCCCCCCC/C=C\\CCCCCCCCCCCCCC(=O)[O-] is a tetracosenoate that is the conjugate base of nervonic acid, arising from deprotonation of the carboxylic acid group. It has a role as a human metabolite. It is a conjugate base of a (15Z)-tetracosenoic acid.
The molecule [Yb+3] [Yb+3] is ytterbium(3+). It is also related to or classified as monoatomic trication  . It is also related to or classified as ytterbium molecular entity .
The molecule C(CC(=O)O)[C@@H](C(=O)O)N=CN is the N-formimidoyl derivative of L-glutamic acid It is a L-glutamic acid derivative and a dicarboxylic acid. It is a conjugate acid of a N-formimidoyl-L-glutamate(2-) and a N-formimidoyl-L-glutamate(1-).
The molecule [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCC(O)C(C)C=O [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCC(O)C(C)C=O is 3alpha,7alpha,12alpha,24-tetrahydroxy-5beta-cholestan-26-al. It has the role of bile acid metabolite .  It is also related to or classified as 3alpha-hydroxy steroid  . It is also related to or classified as 7alpha-hydroxy steroid  . It is also related to or classified as steroid aldehyde , 12alpha-hydroxy steroid , 24-hydroxy steroid , 26-oxo steroid .
The molecule [H][C@]12CC[C@H](C)[C@@]1([H])C[C@@]1(C)CC[C@]([H])([C@@H](C)CCCC(C)C)[C@]1([H])CC[C@@H]2C [H][C@]12CC[C@H](C)[C@@]1([H])C[C@@]1(C)CC[C@]([H])([C@@H](C)CCCC(C)C)[C@]1([H])CC[C@@H]2C is ophiobolane. It is also related to or classified as sesterterpene  . It is also related to or classified as terpenoid fundamental parent .
The molecule C1=CC2=C(C=C1S(=O)(=O)O)C(=C(N2)C3=NC4=C(C3=O)C=C(C=C4)S(=O)(=O)O)O is a member of the class of indolones obtained by formal 2,2'-oxidative coupling of two molecules of 3-oxo-2,3-dihydroindole-5-sulfonic acids. It has a role as a food colouring and a histological dye. It is a member of indolones, an olefinic compound, an enone, an arenesulfonic acid and a ring assembly. It is a conjugate acid of an indigo carmine(2-).
The molecule [Fm] [Fm] is fermium. It is also related to or classified as actinoid atom  . It is also related to or classified as f-block element atom .
The molecule C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O[C@@H]4C(C([C@@H]([C@H](O4)CO)O)O)O)CCC5=CC(=O)CC[C@]35C is a steroid saponin that is the alpha-D-glucopyranosyl derivative of testosterone. It has been found in Daphnia magna. It has a role as a Daphnia magna metabolite. It is a steroid saponin, a 3-oxo-Delta(4) steroid, a monosaccharide derivative and an alpha-D-glucoside. It derives from a testosterone.
The molecule [C@H]1([C@]2([C@](CC=C(C1)C)(C(=CC2=O)CC)[H])C)OC([C@H]3NCCC3)=O [C@H]1([C@]2([C@](CC=C(C1)C)(C(=CC2=O)CC)[H])C)OC([C@H]3NCCC3)=O is A carboxylic ester resulting from the formal condensation of the hydroxy group of aculene D with the carboxylic acid group of L-proline. It is a sesquiterpenoid isolated from the fungus Aspergillus aculeatus. It has the role of Aspergillus metabolite . Its functional parent is aculene D .  It is also related to or classified as carboxylic ester  . It is also related to or classified as sesquiterpenoid , carbobicyclic compound , L-proline derivative .
The molecule [C@H]1([C@H]([C@H]([C@@H]([C@H](O1)C)NC=O)OC)OC)O[C@@H]2[C@@H]([C@H](O[C@@H]([C@H]2NC=O)C)O)O [C@H]1([C@H]([C@H]([C@@H]([C@H](O1)C)NC=O)OC)OC)O[C@@H]2[C@@H]([C@H](O[C@@H]([C@H]2NC=O)C)O)O is an amino disaccharide consisting of a 2,3-di-O-methyl-N-formyl-alpha-D-perosamine residue linked (1->3) to N-formyl-alpha-D-perosamine. It is also related to or classified as amino disaccharide .
The molecule C1CC1CN2CC[C@]34[C@@H]5C(=O)CC[C@]3([C@H]2CC6=C4C(=C(C=C6)O)O5)O is an organic heteropentacyclic compound that is naloxone substituted in which the allyl group attached to the nitrogen is replaced by a cyclopropylmethyl group. A mu-opioid receptor antagonist, it is used to treat alcohol dependence. It has a role as a mu-opioid receptor antagonist, a central nervous system depressant, an environmental contaminant, a xenobiotic and an antidote to opioid poisoning. It is an organic heteropentacyclic compound, a morphinane-like compound and a member of cyclopropanes. It is a conjugate base of a naltrexone(1+).
The molecule CC1=CC(=O)OC1CC([O-])=O CC1=CC(=O)OC1CC([O-])=O is A monocarboxylic acid anion that is the conjugate base of 4-carboxymethyl-3-methylbut-2-en-1,4-olide; major species at pH 7.3. It is also related to or classified as monocarboxylic acid anion  .
The molecule CN1CCC(C1)CN2C3=CC=CC=C3SC4=CC=CC=C42 is a phenothiazine substituted on nitrogen by a (1-methylpyrrolidin-3-yl)methyl group; a first-generation antihistamine with anticholinergic properties. It has a role as a histamine antagonist, a cholinergic antagonist and an antipruritic drug. It is a member of phenothiazines and a N-alkylpyrrolidine.
The molecule C12=C(NCC(=N1)CNC3=CC=C(C([O-])=O)C(=C3)O)N=C(N)NC2=O C12=C(NCC(=N1)CNC3=CC=C(C([O-])=O)C(=C3)O)N=C(N)NC2=O is A member of the class of pteroates that is the conjugate base of 2-hydroxy-7,8-dihydropteroic acid, obtained by deprotonation of the carboxy group. Major microspecies at pH 7.3. Its functional parent is 7,8-dihydropteroate . It is also related to or classified as hydroxybenzoate , pteroates .