anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CCCCCCCCCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CCCCCCCCCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 is A 3-oxo-fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3-oxotetracosanoic acid. It has the role of Saccharomyces cerevisiae metabolite . It has the role of human metabolite . Its functional parent is 3-oxotetracosanoic acid . It is a conjugate acid of 3-oxotetracosanoyl-CoA(4-) . It is also related to or classified as 3-oxo-fatty acyl-CoA  . It is also related to or classified as very long-chain fatty acyl-CoA .
The molecule CCCCC/C=C\\C=C\\[C@@H](CCCCCCCC(=O)O)OO is an HPODE (hydroperoxy-octadecadienoic acid) in which the double bonds are at positions 10 and 12 (E and Z geometry, respectively) and the hydroperoxy group is at position 9 (R configuration). It derives from a (10E,12Z)-octadecadienoic acid. It is a conjugate acid of a 9(R)-HPODE(1-). It is an enantiomer of a 9(S)-HPODE.
The molecule [K+].COC1=C(C([O-])=O)C(Cl)=CC=C1Cl [K+].COC1=C(C([O-])=O)C(Cl)=CC=C1Cl is an organic potassium salt of dicamba. It has the role of herbicide . It has the role of agrochemical . It is also related to or classified as organic potassium salt .
The molecule CC(=O)O[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC2=C(OC3=CC(=CC(=C3C2=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C5=CC=C(C=C5)O)CO)O)O is a kaempferol O-glucoside that is the 2''-acetyl derivative of kaempferol-3-O-beta-D-glucopyranosyl-7-O-beta-D-glucopyranoside (paeonoside). Isolated from Delphinium staphisagria, it exhibits trypanocidal activity. It has a role as a metabolite, a trypanocidal drug and a plant metabolite. It is a beta-D-glucoside, an acetate ester, a dihydroxyflavone and a kaempferol O-glucoside. It derives from a kaempferol-3-O-beta-D-glucopyranosyl-7-O-beta-D-glucopyranoside.
The molecule CC(=O)[C@H]([C@@H](C[C@@H](C(=O)O)N)O)O is a ketoaldonic acid derivative derivative that is a seven-membered ketoaldonic acid having an amino substituent at the 2-position and the 3- and 7-positions deoxygenated. It is a tautomer of a 2-amino-2,3,7-trideoxy-D-lyxo-hept-6-ulosonic acid zwitterion.
The molecule C1=CC=C(C=C1)C(=O)NC2=NC=NC3=C2N=CN3C4C(C(C(O4)COC(=O)C5=CC=CC=C5)F)O C1=CC=C(C=C1)C(=O)NC2=NC=NC3=C2N=CN3C4C(C(C(O4)COC(=O)C5=CC=CC=C5)F)O is benzoic acid [5-(6-benzamido-9-purinyl)-3-fluoro-4-hydroxy-2-oxolanyl]methyl ester. It is also related to or classified as purines , 3'-deoxyribonucleoside .
The molecule C1CCNC(C1)C(C2=CC=CC=C2)C(=O)O is a monocarboxylic acid that is phenylacetic acid substituted by a piperidin-2-yl group at position 2. It is a metabolite of the drug methylphenidate. It has a role as a marine xenobiotic metabolite and a drug metabolite. It is a monocarboxylic acid and a member of piperidines.
The molecule CC(C)[C@H](C(=O)[O-])[NH3+] is a D-alpha-amino acid zwitterion that is D-valine in which a proton has been transferred from the carboxy group to the amino group. It is the major species at pH 7.3. It is a tautomer of a D-valine.
The molecule C(C[Se][Se]CCC(C(=O)O)N)C(C(=O)O)N is a diselenide resulting from the dehydrogenation reaction between two units of 2-amino-4-selanylbutanoic acid. It has a role as a bacterial metabolite, an antibacterial agent and a marine metabolite. It is a diselenide and a selenoamino acid.
The molecule C(=C/C(=C/CC[C@H](C)C/C=C/C=C\C)/C)\C(C1=C(C(C=2C=CC(=CC2)O)=CNC1=O)O)=O C(=C/C(=C/CC[C@H](C)C/C=C/C=C\C)/C)\C(C1=C(C(C=2C=CC(=CC2)O)=CNC1=O)O)=O is 3-[(2E,4E,8S,10E,12Z)-4,8-dimethyltetradeca-2,4,10,12-tetraenoyl]-4-hydroxy-5-(4-hydroxyphenyl)-1,2-dihydropyridin-2-one. Its functional parent is ilicicolin H . It is also related to or classified as phenols  . It is also related to or classified as aromatic ketone .
The molecule C=12C(=C3C(=CC(=CC3=CC1C=C(OC2=O)CC(OC)=O)OC)O)O C=12C(=C3C(=CC(=CC3=CC1C=C(OC2=O)CC(OC)=O)OC)O)O is this is compound 8 in pmid:31045362. It is also related to or classified as phenols  . It is also related to or classified as cyclic hemiketal , heptaketide , naphtho-gamma-pyrone .
The molecule C[NH+](C)CCCSC1=CC=CC=C1NC(=O)/C=C/C2=CC=CC=C2 is an ammonium ion derivative that is the conjugate acid of cinanserin, obtained by the protonation of the tertiary amino group. It is the major microspecies at pH 7.3. It is a conjugate acid of a cinanserin.
The molecule C\C=C\CC(=O)C(O)=O C\C=C\CC(=O)C(O)=O is trans-2-oxohex-4-enoic acid. Its functional parent is trans-hex-4-enoic acid . It is a conjugate acid of trans-2-oxohex-4-enoate . It is also related to or classified as 2-oxohex-4-enoic acid  .
The molecule CCCCOC=O is a formate ester resulting from the formal condensation of formic acid with the hydroxy group of butan-1-ol. Found in apples, strawberries, sherry and Pamesan cheese, it has a fruity, plum-like odour and taste. It has a role as a polar aprotic solvent, a flavouring agent and a fragrance. It derives from a butan-1-ol.
The molecule [Na+].COC1=C(C([O-])=O)C(Cl)=CC=C1Cl [Na+].COC1=C(C([O-])=O)C(Cl)=CC=C1Cl is an organic sodium salt of dicamba. It has the role of herbicide . It has the role of agrochemical . It is also related to or classified as organic sodium salt .
The molecule C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3CC3)C(=O)N(C[C@H]1OC)C)C)CC4=CC=NC=C4 C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3CC3)C(=O)N(C[C@H]1OC)C)C)CC4=CC=NC=C4 is N-[(5S,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(pyridin-4-ylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC1=C(OC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N)C is a sulfonamide antibiotic in which 4-aminobenzenesulfonic acid and 4,5-dimethyl-1,3-oxazol-2-amine have combined to form the sulfonamide bond. It has a role as an antimicrobial agent and a drug allergen. It is a sulfonamide, an oxazole and a sulfonamide antibiotic.
The molecule C([C@H](C=O)C)[C@@H](C(=O)O)N C([C@H](C=O)C)[C@@H](C(=O)O)N is A L-leucine derivative that is L-leucine substituted by an oxo group at position 5. It is also related to or classified as L-leucine derivative , non-proteinogenic L-alpha-amino acid .
The molecule C1CCC(CC1)C#CC2=CC=C(C=C2)[C@@H]3[C@H](N[C@H]3C#N)CO C1CCC(CC1)C#CC2=CC=C(C=C2)[C@@H]3[C@H](N[C@H]3C#N)CO is (2R,3S,4S)-3-[4-(2-cyclohexylethynyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule COC(=O)CC1=CN(C(=S)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O is a thiouridine that is 2-thiouridine bearing an additional methoxycarbonylmethyl substituent at position 5 on the thiouracil ring. It is a thiouridine and a methyl ester.
The molecule C1CN(CCC1C(=O)NCCOCCOCCC(=O)NC(CCCCNC(=O)C2=CC=C(O2)[N+](=O)[O-])C(=O)N)C(=O)CCOCCOCCNC(=O)CCCC3=CNC4=CC=CC=C43 is a furan having a nitro group at position 5 and a carboxamido group in turn bearing a long-chain polyether-based multifunctional N-alkyl group at position 2. It is a C-nitro compound, a member of furans, a member of indoles, a polyether and an amino acid amide.
The molecule [C@H]1(C(=CC([C@@H]([C@H]1O)O)=O)CO)O [C@H]1(C(=CC([C@@H]([C@H]1O)O)=O)CO)O is A member of the class of cyclohexenones that is cyclohex-2-en-1-one substituted by hydroxy groups at positions 4, 5 and 6, and by a hydroxymethyl group at position 3 (the 4R,5S,6R-diastereomer). It has the role of bacterial xenobiotic metabolite . Its functional parent is valiolone .   It is also related to or classified as enone  . It is also related to or classified as tetrol , cyclohexenones .
The molecule CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N)C is a sulfonamide consisting of pyrimidine with methyl substituents at the 4- and 6-positions and a 4-aminobenzenesulfonamido group at the 2-position. It has a role as an antiinfective agent, a carcinogenic agent, a ligand, an antibacterial drug, an antimicrobial agent, an EC 2.5.1.15 (dihydropteroate synthase) inhibitor, an environmental contaminant, a xenobiotic and a drug allergen. It is a member of pyrimidines, a sulfonamide and a sulfonamide antibiotic. It derives from a sulfanilamide.
The molecule C1=CC=C2C=CC=C2C=C1 is a mancude carbobicyclic parent consisting of a cycloheptatriene and cyclopentadiene rings. It has a role as a plant metabolite and a volatile oil component. It is an ortho-fused bicyclic arene, a member of azulenes and a mancude carbobicyclic parent.
The molecule C(C[C@H]1[C@@H]2C[C@H]([C@@H]1/C=C/[C@H](CCCCC)OO)OO2)CCCCC([O-])=O C(C[C@H]1[C@@H]2C[C@H]([C@@H]1/C=C/[C@H](CCCCC)OO)OO2)CCCCC([O-])=O is A prostaglandin carboxylic acid anion that is the conjugate base of prostaglandin G1, obtained by deprotonation of the carboxy group; major species at pH 7.3. It has the role of human metabolite . It is also related to or classified as prostaglandin carboxylic acid anion .
The molecule C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3F)C(=O)N(C[C@H]1OC)C)C)C C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3F)C(=O)N(C[C@H]1OC)C)C)C is 2-fluoro-N-[(5S,6S,9R)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C1=CC=C(C=C1)CCC(=O)C2=CC=CC=C2 is a member of the class of dihydrochalcones that is acetophenone in which one of the hydrogens of the methyl group is replaced by a benzyl group. It has a role as a plant metabolite.
The molecule CC(C)([C@H](C(=O)O)N)SSC(C)(C)[C@H](C(=O)O)N is an organic disulfide consisting of two D-penicillamines joined by a disulfide bond. It is an organic disulfide, a sulfur-containing amino acid and a D-valine derivative.
The molecule CN(CCCN)CCCN.COC1=C(C(O)=O)C(Cl)=CC=C1Cl CN(CCCN)CCCN.COC1=C(C(O)=O)C(Cl)=CC=C1Cl is dicamba-biproamine. It has the role of herbicide . It has the role of agrochemical . It is also related to or classified as organoammonium salt .
The molecule C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)COC)C(=O)N(C[C@@H]1OC)C)C)CC3=CC=CC=N3 C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)COC)C(=O)N(C[C@@H]1OC)C)C)CC3=CC=CC=N3 is 2-methoxy-N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)OS(=O)(=O)O)O)O is a glycosylglucose derivative that consists of beta-D-glucose having a 3-sulfated beta-D-galactosyl residue attached at position 4. It has a role as an epitope. It is a glycosylglucose derivative and an oligosaccharide sulfate.
The molecule C(CC(=O)[O-])C(=O)C=O is the conjugate base of 4,5-dioxopentanoic acid; major species at pH 7.3. It is a conjugate base of a 4,5-dioxopentanoic acid.
The molecule C[C@@H]1CN(C(=O)CCCN2C=C(CO[C@@H]1CN(C)CC3=CC=CC=C3OC)N=N2)[C@@H](C)CO C[C@@H]1CN(C(=O)CCCN2C=C(CO[C@@H]1CN(C)CC3=CC=CC=C3OC)N=N2)[C@@H](C)CO is (8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-9-[[(2-methoxyphenyl)methyl-methylamino]methyl]-8-methyl-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O)[NH2+][C@@H]2[C@@H]([C@H]([C@@H](C(=C2)CO)O)O)O C1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O)[NH2+][C@@H]2[C@@H]([C@H]([C@@H](C(=C2)CO)O)O)O is an organic cation resulting from the protonation of the amino group of validoxylamine A; major species at pH 7.3. It is a conjugate acid of validoxylamine A . It is also related to or classified as organic cation , ammonium ion derivative .
The molecule CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCCCCC)O)O is a glycophytoceramide having an alpha-D-galactopyranosyl residue at the O-1 position and a dodecanoyl group attached to the nitrogen. It derives from an alpha-D-galactose and a dodecanoic acid.
The molecule C1C=CCC2C1C(=O)N(C2=O)SC(Cl)(Cl)Cl is a dicarboximide that is 3a,4,7,7a-tetrahydrophthalimide in which the hydrogen attached to the nitrogen is replaced by a trichloromethyl group. A non-systemic fungicide introduced in the 1950s, it is widely used for the control of fungal diseases in fruits, vegetables, and ornamental crops. It has a role as an antifungal agrochemical. It is a member of isoindoles, an organochlorine compound, an organosulfur compound and a phthalimide fungicide.
The molecule CC\C=C/C[C@@H]1[C@@H](CC(=O)OC)CCC1=O CC\C=C/C[C@@H]1[C@@H](CC(=O)OC)CCC1=O is A jasmonate ester that is the methyl ester of jasmonic acid. It has the role of jasmonates . It has the role of plant hormone . It has the role of plant metabolite .  It is also related to or classified as methyl ester  . It is also related to or classified as Jasmonate derivatives , jasmonate ester .
The molecule C1=CC=C2C(=C1)C(=C(C(=O)N2)C(=O)O)O is a quinolone that is 4-quinolone substituted at positions 2 and 3 by hydroxy and carboxy groups respectively. It is a quinolone, a quinolinemonocarboxylic acid and a hydroxyquinoline.
The molecule [C@H]1([C@H](CC([C@@H]([C@H]1O)O)=O)COP([O-])(=O)[O-])O [C@H]1([C@H](CC([C@@H]([C@H]1O)O)=O)COP([O-])(=O)[O-])O is an organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of validone 7-phosphate; major species at pH 7.3. It is also related to or classified as organophosphate oxoanion .
The molecule C1=CC=C2C(=C1)C=NN=C2NN is the 1-hydrazino derivative of phthalazine; a direct-acting vasodilator that is used as an antihypertensive agent. It has a role as an antihypertensive agent and a vasodilator agent. It is a member of phthalazines, an azaarene, an ortho-fused heteroarene and a member of hydrazines.
The molecule [C@H]1(N2C3=C(C(=NC=N3)N)N=C2)[C@@H]([C@H](O)[C@H](O1)COP([O-])([O-])=O)OP([O-])([O-])=O [C@H]1(N2C3=C(C(=NC=N3)N)N=C2)[C@@H]([C@H](O)[C@H](O1)COP([O-])([O-])=O)OP([O-])([O-])=O is major species at pH 7.3. It is also related to or classified as organophosphate oxoanion .
The molecule CC[C@]1(C[C@@H](C2=C([C@H]1C(=O)O)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4O)O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N)O is an anthracycline antibiotic that is 13-deoxycarminomycin substituted at position 10 by a carboxy group. It is an aminoglycoside, an anthracycline antibiotic, a deoxy hexoside, a monosaccharide derivative, a hydroxy monocarboxylic acid and a member of p-quinones. It derives from a carminomycin. It is a tautomer of a 10-carboxy-13-deoxycarminomycin zwitterion.
The molecule C12=C(C(=C(C(=C1)CC(=O)C)O)O)C(=CC(=C2)OC)O C12=C(C(=C(C(=C1)CC(=O)C)O)O)C(=CC(=C2)OC)O is compound 14 in pmid:26938470. It is also related to or classified as polyketide  . It is also related to or classified as phenols  .
The molecule [H][C@@]1(O[C@]([H])([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(O)=O [H][C@@]1(O[C@]([H])([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(O)=O is polyoxin C in which the primary amino group has been condensed with L-tryptophan to form a peptide bond. It is also related to or classified as dipeptide  .
The molecule CCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC/C=C\\CCCCCCCC)O is a 1,3-diglyceride in which the acyl groups at positions 1 and 3 are specified as oleoyl and palmitoyl respectively (the S-stereoisomer). It is a 1-oleoyl-3-palmitoylglycerol and a 1,3-diacyl-sn-glycerol.
The molecule C1=CC=C(C(=C1)C(=O)N[C@H]2C=C[C@@H](O[C@@H]2CO)CC(=O)O)F C1=CC=C(C(=C1)C(=O)N[C@H]2C=C[C@@H](O[C@@H]2CO)CC(=O)O)F is 2-[(2S,3S,6S)-3-[[(2-fluorophenyl)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetic acid. It is also related to or classified as organohalogen compound  . It is also related to or classified as carbonyl compound .
The molecule O[C@H]1C=CC=C[C@]1(O)C(O)=O O[C@H]1C=CC=C[C@]1(O)C(O)=O is (1R,6S)-1,6-dihydroxycyclohexa-2,4-dienecarboxylic acid. It is a conjugate acid of (1R,6S)-1,6-dihydroxycyclohexa-2,4-diene-1-carboxylate . It is also related to or classified as cis-1,6-dihydroxycyclohexa-2,4-dienecarboxylic acid .
The molecule C1=CC=C2C(=C1)C(=CN2)CCCC(=O)NCCCCC(C(=O)N)NC(=O)C(CCCCNC(=O)C(CCCCNC(=O)C(CCCCNC(=O)CCCCCNC(=O)C3=CC=C(O3)[N+](=O)[O-])N)N)N is a tetrapeptide that consists of [(N(6)-lysyl)-N(6)-lysyl]-lysyl-lysinamide where the two side-chain amino functions are acylated by 4-(indol-3-yl)butanoyl and 6-[(5-nitro-2-furoyl)amino]hexanoyl groups. It is a tetrapeptide, a C-nitro compound, a member of furans and a member of indoles.
The molecule C[C@H]1[C@@H](C(=O)O[C@H]2[C@@H]([C@@H]([C@]3([C@@H]([C@@H]([C@@H]4[C@H]([C@@]3([C@@]2(C)O)O[C@]4(COC(=O)C5=C1C=CN=C5)C)OC(=O)C)OC(=O)C)OC(=O)C)COC(=O)C)OC(=O)C)O)C is a sesquiterpene alkaloid that is isolated from Tripterygium wilfordii and Tripterygium hypoglaucum. It has a role as a plant metabolite. It is an acetate ester, a dihydroagarofuran sesquiterpenoid, a macrolide, a pyridine alkaloid and a sesquiterpene alkaloid.
The molecule O[C@@H]1C=CC=C[C@@]1(O)C(O)=O O[C@@H]1C=CC=C[C@@]1(O)C(O)=O is (1S,6R)-1,6-dihydroxycyclohexa-2,4-dienecarboxylic acid. It is a conjugate acid of (1S,6R)-1,6-dihydroxycyclohexa-2,4-diene-1-carboxylate . It is also related to or classified as cis-1,6-dihydroxycyclohexa-2,4-dienecarboxylic acid .
The molecule CCCC(=O)C(=C(C(=C(C(=O)O)O)[H])[H])[H] CCCC(=O)C(=C(C(=C(C(=O)O)O)[H])[H])[H] is an alpha,beta-unsaturated monocarboxylic acid that is nona-2,4-dienoic acid carrying hydroxy and oxo substituents at positions 2 and 6 respectively. It has the role of bacterial xenobiotic metabolite . It is a conjugate acid of 2-hydroxy-6-oxo-nona-2,4-dienoate . It is also related to or classified as 6-oxo monocarboxylic acid , 2-hydroxy monocarboxylic acid , alpha,beta-unsaturated monocarboxylic acid .
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=CC(=O)NC7=O)COP(=O)(O)O[C@@H]8[C@H](O[C@H]([C@@H]8O)N9C=CC(=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)COP(=O)(O)O[C@@H]1[C@H](O[C@H]([C@@H]1O)N1C=CC(=NC1=O)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=CC(=O)NC1=O)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)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=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 five adenosine, one guanosine, four uridine and three cytidine residues connected by 3'->5' phosphodiester linkages in the sequence U-G-G-G-A-A-G-A-C-A.
The molecule CCCC(C)(CC(=O)[O-])O is a hydroxy monocarboxylic acid anion that is the conjugate base of 3-hydroxy-3-methylhexanoic acid, arising from deprotonation of the carboxy group. It is a hydroxy monocarboxylic acid anion and a 3-methyl fatty acid anion. It derives from a hexanoate. It is a conjugate base of a 3-hydroxy-3-methylhexanoic acid.
The molecule CC(C)C1=CC2=C(CC[C@@H]2C)[C@@H](C)CC1 CC(C)C1=CC2=C(CC[C@@H]2C)[C@@H](C)CC1 is A carbobicyclic compound that is 1,2,3,4,5,6-hexahydroazulene substituted by methyl groups at positions 1S and 4S and by an isoproyl group at position 7. It is a sesquiterpene synthesised by heterologous expression of a sesquiterpene cyclase from the deep-sea fungus Spiromastix sp. It has the role of marine metabolite . It has the role of fungal metabolite . It is also related to or classified as sesquiterpene  . It is also related to or classified as carbobicyclic compound .
The molecule [Cl-].CCCC[N+](CCCC)(CCCC)CCCC [Cl-].CCCC[N+](CCCC)(CCCC)CCCC is an organic chloride salt comprising of a tetrabutylammonium cation and chloride anion. It is also related to or classified as organic chloride salt , tetrabutylammonium salt .
The molecule [O-][Mo]1(=O)O[Mo](=O)(=O)O[Mo](=O)(=O)O1 [O-][Mo]1(=O)O[Mo](=O)(=O)O[Mo](=O)(=O)O1 is cyclo-nonaoxidotrimolybdate(1-). It is also related to or classified as inorganic aromatic compound , molybdenum oxide .
The molecule CC(=O)O[C@H]1[C@@H]2[C@]([C@H](CCC2(C)C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)([C@H]4C(=O)C[C@](O[C@@]4([C@H]1O)C)(C)C=C)C is a diterpene glycoside that is labd-14-en-11-one substituted by beta-acetoxy group at position 6, an epoxy group between positions 8 and 13, a beta-hydroxy group at position 7 and a beta-D-glucopyranosyloxy group at position 1 (the 1alpha stereoisomer). Isolated from the whole plant of Coleus forskohlii, it shows relaxative effects on isolated guinea pig tracheal spirals in vitro. It has a role as a metabolite and a muscle relaxant. It is a labdane diterpenoid, a diterpene glycoside, an acetate ester, a beta-D-glucoside, a cyclic ketone and a cyclic ether.
The molecule C[C@@]1([C@@H]2[C@@H]3C[C@@H]4C[C@]2(C[C@@]4(O3)CO)C=CC1=O)CCC(=O)NC5=C(C=CC(=C5O)C(=O)OC)O is a polycyclic cage compound isolated from Streptomyces platensis. It has a role as a bacterial metabolite. It is a cyclic ether, a cyclic ketone, a polycyclic cage, a member of resorcinols, a primary alcohol, a benzoate ester, an aromatic amide and a monocarboxylic acid amide. It derives from a platensimycin.
The molecule C1[C@@H]([C@H](O[C@H]1N2C(C(C(=NC2=O)N)N)C3C=C4N3C(=O)N4[C@H]5C[C@@H]([C@H](O5)CO)O)CO)O is an N-glycosyl compound that is a metabolite produced by the bacterium Mycoplasma genitalium. It has a role as a Mycoplasma genitalium metabolite. It is a N-glycosyl compound, an azabicycloalkane, an aminopyrimidine and a pyrimidone.
The molecule O=C(N)C1=NC=CC(=C1)NC(=O)C2OC(C)(C(C)C2C3=CC=C(F)C(F)=C3OC)C(F)(F)F O=C(N)C1=NC=CC(=C1)NC(=O)C2OC(C)(C(C)C2C3=CC=C(F)C(F)=C3OC)C(F)(F)F is A member of the class of oxolanes that is oxolane substituted by 4-aminoacyl-pyridine-2-carboxamide, 3,4-difluoro-2-methoxyphenyl, methyl, and trifluoromethyl groups at positions 2, 3, 4, 5, and 5, respectively (the 2R,3S,4S,5R-stereoisomer). It is a selective blocker of the NaV 1.8 voltage-gated sodium channel and has been approved for the treatment of moderate to severe acute pain in adults. It has the role of non-narcotic analgesic . It has the role of voltage-gated sodium channel blocker . It is also related to or classified as primary carboxamide  . It is also related to or classified as secondary carboxamide  .    It is also related to or classified as difluorobenzene  . It is also related to or classified as monomethoxybenzene , pyridinecarboxamide , oxolanes .
The molecule C(N)NC(=O)N is a member of the class of ureas that is urea substituted by an aminomethyl group at the nitrogen atom. It is a conjugate base of a N-(ammoniomethyl)urea.
The molecule C[C@H](CCC(=O)NCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)OS(=O)(=O)[O-])C)C is a steroid sulfate oxoanion arising from deprotonation of both sulfo groups of taurolithocholic acid sulfate; major species at pH 7.3. It has a role as a human metabolite. It is a conjugate base of a taurolithocholic acid sulfate.
The molecule CC1(C=CC2=C(C3=C(C(=C2O1)CC([C@H]4C(O4)(C)C)O)OC5=C(C3=O)C=C(C=C5)O)O)C is a member of the class of pyranoxanthones that is 2H,6H-pyrano[3,2-b]xanthen-6-one substituted by a 2-[(2S)-3,3-dimethyloxiran-2-yl]-2-hydroxyethyl group at position 12, hydroxy groups at positions 5 and 8 and geminal methyl groups at position 2. It is isolated from the stem bark of Calophyllum brasiliense and exhibits significant inhibitory activity against 12-O-tetradecanoylphorbol-13-acetate induced Epstein-Barr virus early antigen activation in Raji cells. It has a role as a metabolite and an antineoplastic agent. It is a polyphenol, a member of pyranoxanthones, an epoxide and a secondary alcohol.