anonymous041/ChEBI-Augmented huggingface dataset:
The molecule [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](C)CCC(O)=O [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](C)CCC(O)=O is A beta-D-glucoside resulting from the formal condensation of the 1R-hydroxy group of beta-D-glucose with the 3R-hydroxy group of chenodeoxycholic acid. Its functional parent is chenodeoxycholic acid . It is a conjugate acid of chenodeoxycholate-3-O-beta-D-glucoside(1-) . It is also related to or classified as beta-D-glucoside  . It is also related to or classified as 7alpha-hydroxy steroid  . It is also related to or classified as monosaccharide derivative .
The molecule CCCCCCCCCCCCCCC(O)CCC CCCCCCCCCCCCCCC(O)CCC is A secondary fatty alcohol that is octadecane substituted by a hydroxy group at position 4. It is also related to or classified as secondary fatty alcohol  . It is also related to or classified as octadecanol .
The molecule O1[C@@H]2[C@]([C@H]3C(C([C@H](CC=4C5=C(C=CC=C5)NC4C(C=C)(C)C)CC3)(C)C)=CC2)(CC[C@@H]1C(O)(C)C)C O1[C@@H]2[C@]([C@H]3C(C([C@H](CC=4C5=C(C=CC=C5)NC4C(C=C)(C)C)CC3)(C)C)=CC2)(CC[C@@H]1C(O)(C)C)C is Emindole PC. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule NCN NCN is methanediamine.  It is also related to or classified as aminal  . It is also related to or classified as alkane-alpha,omega-diamine , one-carbon compound .
The molecule C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3([C@@H](C[C@@]2(C[C@@H](C1)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)[H])O)[H])(CC[C@@]4([C@@H](CCC([O-])=O)C)[H])[H])C)[H])C C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3([C@@H](C[C@@]2(C[C@@H](C1)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)[H])O)[H])(CC[C@@]4([C@@H](CCC([O-])=O)C)[H])[H])C)[H])C is A bile acid anion that results from the deprotonation of the carboxy group of chenodeoxycholic acid-3-O-beta-D-glucoside; Major species at pH 7.3. Its functional parent is chenodeoxycholate . It is also related to or classified as bile acid anion .
The molecule OC[C@H]1O[C@@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]4[C@@H](O)[C@@H](COP(O)(O)=O)O[C@@H](O[C@H]5[C@H](O)[C@H](O)[C@@H](O)O[C@@H]5CO)[C@@H]4O)[C@@H]3O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O OC[C@H]1O[C@@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]4[C@@H](O)[C@@H](COP(O)(O)=O)O[C@@H](O[C@H]5[C@H](O)[C@H](O)[C@@H](O)O[C@@H]5CO)[C@@H]4O)[C@@H]3O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O is A pentasaccharide derivative that is a pentasaccharide phosphate epitope from Leishmania major promastigote lipophosphoglycan. It has the role of epitope . It is also related to or classified as oligosaccharide phosphate , pentasaccharide derivative .
The molecule CCCCCCCCCCCCCCCC(O)CC CCCCCCCCCCCCCCCC(O)CC is A secondary fatty alcohol that is octadecane substituted by a hydroxy group at position 3. It is also related to or classified as secondary fatty alcohol  . It is also related to or classified as octadecanol .
The molecule [C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)O[C@H]2[C@@H]([C@H](C(O[C@@H]2CO)O)NC(=O)C)O[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)[O-])CCC(N[C@H](C(N[C@@H](C([O-])=O)C)=O)CCCC([NH3+])C(=O)[O-])=O)C)C [C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)O[C@H]2[C@@H]([C@H](C(O[C@@H]2CO)O)NC(=O)C)O[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)[O-])CCC(N[C@H](C(N[C@@H](C([O-])=O)C)=O)CCCC([NH3+])C(=O)[O-])=O)C)C is A peptide anion obtained from N-acetyl-D-glucosaminyl-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanine; major structure at pH 7.3. It is also related to or classified as peptide anion .
The molecule COc1cc(C=CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)n2cnc3c(N)ncnc23)ccc1O COc1cc(C=CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)n2cnc3c(N)ncnc23)ccc1O is an acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of ferulic acid. Its functional parent is coenzyme A . Its functional parent is trans-ferulic acid . It is a conjugate acid of feruloyl-CoA(4-) . It is also related to or classified as acyl-CoA  .
The molecule BrCC(Cl)([C@H](O)C/C=C(/[C@@H](O)CBr)\C)C BrCC(Cl)([C@H](O)C/C=C(/[C@@H](O)CBr)\C)C is Plocamenol B. It is also related to or classified as alcohol  . It is also related to or classified as organochlorine compound  .
The molecule CCCCCCCCCCCCCCCCC(C)O CCCCCCCCCCCCCCCCC(C)O is A secondary fatty alcohol that is octadecane substituted by a hydroxy group at position 2. It has the role of bacterial metabolite . It is also related to or classified as secondary fatty alcohol  . It is also related to or classified as octadecanol .
The molecule [H]O[V]([O-])([O-])=O [H]O[V]([O-])([O-])=O is A divalent inorganic anion obtained by removal of two protons from vanadic acid. It is a conjugate acid of vanadate(3-) . It is also related to or classified as vanadium oxoanion , divalent inorganic anion .
The molecule CC(=O)N(OS(O)(=O)=O)c1ccc-2c(Cc3ccccc-23)c1 CC(=O)N(OS(O)(=O)=O)c1ccc-2c(Cc3ccccc-23)c1 is 2-acetamidofluorene N-sulfate. Its functional parent is hydroxylamine . Its functional parent is 2-acetamidofluorene . It is also related to or classified as hydroxylamine O-sulfonic acid .
The molecule CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 is A  biphenylyltetrazole that is an angiotensin II receptor antagonist used mainly for the treatment of hypertension. It has the role of antihypertensive agent . It has the role of xenobiotic . It has the role of angiotensin receptor antagonist . It has the role of environmental contaminant . It is also related to or classified as azaspiro compound , biphenylyltetrazole .
The molecule [H][C@]12SCC(COC(N)=O)=C(N1C(=O)[C@]2(NC(=O)CCC[C@@H](N)C(O)=O)OC)C(O)=O [H][C@]12SCC(COC(N)=O)=C(N1C(=O)[C@]2(NC(=O)CCC[C@@H](N)C(O)=O)OC)C(O)=O is one of three naturally occurring cephamycin antibiotics, differing from the A and B forms in its carbamoyloxymethyl substituent at C-3. It is also related to or classified as cephamycin  .
The molecule CN(CCCC[C@H](N)C(O)=O)C(C)=O CN(CCCC[C@H](N)C(O)=O)C(C)=O is an L-lysine derivative that is L-lysine in which the hydrogens attached to N(6) is substituted by methyl and acetyl groups. Its functional parent is N(6)-methyl-L-lysine . It is also related to or classified as tertiary carboxamide  . It is also related to or classified as L-lysine derivative , non-proteinogenic L-alpha-amino acid .
The molecule Cl[C@H]1C(OC=2C(=O)C=3C=C(O)C=C(C3C(C2C1)=O)O)(C)C Cl[C@H]1C(OC=2C(=O)C=3C=C(O)C=C(C3C(C2C1)=O)O)(C)C is 3-chloro-6,8-dihydroxy-8-alpha-lapachone. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule CCCCCCCCC(O)CCCCCCCC CCCCCCCCC(O)CCCCCCCC is A secondary fatty alcohol that is heptadecane substituted by a hydroxy group at position 9. It has the role of plant metabolite . It is also related to or classified as secondary fatty alcohol  . It is also related to or classified as heptadecanol .
The molecule [H][C@]12SCC(C[n+]3ccccc3)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC(C)(C)C([O-])=O)\c1csc(N)n1)C([O-])=O [H][C@]12SCC(C[n+]3ccccc3)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC(C)(C)C([O-])=O)\c1csc(N)n1)C([O-])=O is A cephalosporin carboxylic acid anion formed by proton loss from the carboxy group of ceftazidime, a cephalosporin having 7beta-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino and 3-pyridinium-1-ylmethyl side-groups. It is also related to or classified as cephalosporin carboxylic acid anion .
The molecule CCCCCCCCCC(O)CCCCCCC CCCCCCCCCC(O)CCCCCCC is A secondary fatty alcohol that is heptadecane substituted by a hydroxy group at position 8. It is also related to or classified as secondary fatty alcohol  . It is also related to or classified as heptadecanol .
The molecule [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OS(O)(=O)=O)[C@H](C)CCCC(C)CO [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OS(O)(=O)=O)[C@H](C)CCCC(C)CO is 26-hydroxycholesterol 3-sulfate. Its functional parent is 26-hydroxycholesterol . It is also related to or classified as steroid sulfate .
The molecule CCCCCCCCCCC(O)CCCCCC CCCCCCCCCCC(O)CCCCCC is A secondary fatty alcohol that is heptadecane substituted by a hydroxy group at position 7. It is also related to or classified as secondary fatty alcohol  . It is also related to or classified as heptadecanol .
The molecule CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@H]3[C@@H]([C@H](OC([C@@H]3O)O)CO)O)CO)CO)O)O is an amino trisaccharide consisting of 2-acetamido-2-deoxy-beta-D-glucopyranose, beta-D-glucopyranose, and D-glucopyranose residues joined in sequence by (1->4) and (1->3) glycosidic bonds. It is an amino trisaccharide and a member of acetamides. It derives from a laminarabiose.
The molecule CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCCCCCCCCCCCCC(=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 polyunsaturated fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of (17Z,20Z,23Z,26Z)-dotriacontatetraenoyl-CoA. It is a polyunsaturated fatty acyl-CoA(4-), a very long-chain acyl-CoA(4-) and a 3-substituted propionyl-CoA(4-). It is a conjugate base of a (17Z,20Z,23Z,26Z)-dotriacontatetraenoyl-CoA.
The molecule C1=CC(=CC=C1C(F)(F)F)N is a substituted aniline that is a benzene ring substituted with an amino group at position 1 and a trifluoromethyl group at position 4. It has a role as a metabolite. It is a substituted aniline and a member of (trifluoromethyl)benzenes.
The molecule CN(C[C@@H]1[C@@H]([C@H](N1C(=O)C2CCC2)CO)C3=CC=CC=C3)C(=O)C4=CC=CC=N4 CN(C[C@@H]1[C@@H]([C@H](N1C(=O)C2CCC2)CO)C3=CC=CC=C3)C(=O)C4=CC=CC=N4 is N-[[(2S,3S,4S)-1-[cyclobutyl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-N-methyl-2-pyridinecarboxamide. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule ClC([C@@H](O)CC1=CC=2NC=3[C@@]4([C@@]5([C@](O)([C@@]67O[C@@H]6[C@H](O)[C@H](O[C@H]7CC5)C(O)(C)C)CC[C@H]4CC3C2C=C1)C)C)(C)C ClC([C@@H](O)CC1=CC=2NC=3[C@@]4([C@@]5([C@](O)([C@@]67O[C@@H]6[C@H](O)[C@H](O[C@H]7CC5)C(O)(C)C)CC[C@H]4CC3C2C=C1)C)C)(C)C is Tolypocladin D. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule C=CCCCCCCCCCCCCCCC=O is a monounsaturated fatty aldehyde that is heptadecanal carrying a double bond at position 16. It has a role as a plant metabolite. It is a monounsaturated fatty aldehyde and a long-chain fatty aldehyde.
The molecule CCCCC(C(=O)NCCCCCC(=O)O)(C(=O)N(C1=CC=CC=C1)NC2=CC=CC=C2)O is a dicarboxylic acid diamide that is a derivative of butyl(hydroxy)malonic acid in which one carboxy group has formed a hydrazide with 1,2-diphenylhydrazine and the other an amide with 6-aminohexanoic acid. It is a dicarboxylic acid diamide and a carbohydrazide.
The molecule C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl)[C@H](C)CO)C)CN(C)C(=O)CCC(F)(F)F C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl)[C@H](C)CO)C)CN(C)C(=O)CCC(F)(F)F is N-[[(3R,9R,10S)-16-[(4-chlorophenyl)sulfonylamino]-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-9-yl]methyl]-4,4,4-trifluoro-N-methylbutanamide. 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[N+](=O)[O-])[N+](=O)[O-])NC(CO)C(=O)O is a serine derivative having a 2,4-dinitrophenyl substituent on nitrogen. It is a C-nitro compound, a serine derivative and a non-proteinogenic alpha-amino acid. It contains a hydroxymethyl group. It derives from a serine.
The molecule OCc1ccc2C(=O)c3ccccc3C(=O)c2c1 OCc1ccc2C(=O)c3ccccc3C(=O)c2c1 is 2-(hydroxymethyl)anthraquinone. It has the role of metabolite . It is also related to or classified as anthraquinone .
The molecule CCCCCCCCCC(CCCCCCCC(=O)O)O is a hydroxyoctadecanoic acid that is octadecanoic acid (stearic acid) which has been substituted by a hydroxy group at position 9. It is a conjugate acid of a 9-hydroxyoctadecanoate.
The molecule CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(=O)N)NC(=O)C4=NC5=CC=CC=C5C=C4)O is an aspartic acid derivative obtained by formal condensation of the primary amino group of (2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)octahydroisoquinolin-2(1H)-yl]-3-hydroxy-1-phenylbutan-2-ylamine with the carboxy group of N(2)(-quinolin-2-ylcarbonyl)-L-asparagine. An inhibitor of HIV-1 protease. It has a role as a HIV protease inhibitor and an antiviral drug. It is a member of quinolines and a L-asparagine derivative.
The molecule O([C@H]1[C@H](O)[C@H](OC(O)[C@@H]1O)CO)[C@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)CO O([C@H]1[C@H](O)[C@H](OC(O)[C@@H]1O)CO)[C@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)CO is A glycosylglucose consisting of alpha-D-galactopyranose and D-glucopyranose residues joined in sequence by a (1->3) glycosidic bond. Its functional parent is alpha-D-galactose . Its functional parent is D-glucopyranose . It is also related to or classified as glycosylglucose .
The molecule CC(=O)NCCCS(O)(=O)=O CC(=O)NCCCS(O)(=O)=O is an  organosulfonic acid that is propane-1-sulfonic acid substituted by an acetylamino group at position 3. It has the role of xenobiotic . It has the role of neurotransmitter agent . It has the role of environmental contaminant .  It is also related to or classified as organosulfonic acid  . It is also related to or classified as acetamides .
The molecule CC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCC(=O)OCC is a long-chain fatty acid ethyl ester resulting from the formal condensation of the carboxy group of stearidonic acid with the hydroxy group of ethanol. It derives from an all-cis-octadeca-6,9,12,15-tetraenoic acid.
The molecule C1CC1CC(=O)N2CC3(C2)[C@H]([C@H](N3CC4=CC(=CC=C4)F)CO)C5=CC=CC=C5 C1CC1CC(=O)N2CC3(C2)[C@H]([C@H](N3CC4=CC(=CC=C4)F)CO)C5=CC=CC=C5 is 2-cyclopropyl-1-[(2S,3S)-1-[(3-fluorophenyl)methyl]-2-(hydroxymethyl)-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 CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=CC=CC=C3 is an iminium ion that is the cationic component of the histological dye 'brilliant green'. It has a role as an antibacterial agent, an antiseptic drug, an environmental contaminant, a fluorochrome, a histological dye and a poison.
The molecule CCCCCC(=O)\C=C\[C@@H]1[C@@H](C\C=C/CCCC([O-])=O)[C@@H](O)CC1=O CCCCCC(=O)\C=C\[C@@H]1[C@@H](C\C=C/CCCC([O-])=O)[C@@H](O)CC1=O is conjugate base of 15-dehydro-prostaglandin D2. It is also related to or classified as prostaglandin carboxylic acid anion .
The molecule CC(C)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 CC(C)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 short-chain, methyl-branched fatty acyl-CoA that is the S-isobutyryl derivative of coenzyme A. It has the role of mouse metabolite . It has the role of human metabolite . Its functional parent is coenzyme A . Its functional parent is isobutyric acid . It is a conjugate acid of isobutyryl-CoA(4-) . It is also related to or classified as methyl-branched fatty acyl-CoA , short-chain fatty acyl-CoA .
The molecule CCCCC(=O)C([O-])=O CCCCC(=O)C([O-])=O is A medium-chain fatty acid anion that is the conjugate base of 2-oxohexanoic acid. Its functional parent is hexanoate . It is also related to or classified as 2-oxo monocarboxylic acid anion  . It is also related to or classified as oxo fatty acid anion .
The molecule CC(C)CC1=C([N+](=C(C(=O)N1[O-])CC(C)C)[O-])[O-] is an organic anion obtained by deprotonation of the two hydroxy groups of pulcherriminic acid; major species at pH 7.3. It has a role as a metabolite. It is a conjugate base of a pulcherriminic acid.
The molecule C1CCC(C1)NC(=O)NC[C@H]2[C@@H]([C@@H](N2C(=O)C3CC3)CO)C4=CC=CC=C4 C1CCC(C1)NC(=O)NC[C@H]2[C@@H]([C@@H](N2C(=O)C3CC3)CO)C4=CC=CC=C4 is 1-cyclopentyl-3-[[(2R,3S,4R)-1-[cyclopropyl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]urea. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@H]([C@@]2(C(=O)CO)O)O)CCC4=CC(=O)C=C[C@@]43C)F)O is a C21-steroid hormone that is 1,4-pregnadiene-3,20-dione carrying four hydroxy substituents at positions 11beta, 16alpha, 17alpha and 21 as well as a fluoro substituent at position 9. Used in the form of its 16,17-acetonide to treat various skin infections. It has a role as an anti-allergic agent and an anti-inflammatory drug. It is a fluorinated steroid, an 11beta-hydroxy steroid, a 20-oxo steroid, a 21-hydroxy steroid, a 3-oxo-Delta(4) steroid, a glucocorticoid, a 17alpha-hydroxy steroid, a 16alpha-hydroxy steroid, a C21-steroid hormone, a primary alpha-hydroxy ketone and a tertiary alpha-hydroxy ketone. It derives from a hydride of a pregnane.
The molecule [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC\C(C(C)C)=C/C [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC\C(C(C)C)=C/C is A 3beta-sterol consisting of stigmastan-3beta-ol with double bonds at positions 5 and 24(28). It has the role of antioxidant . It has the role of metabolite . It has the role of hepatoprotective agent . It is also related to or classified as 3beta-hydroxy-Delta(5)-steroid  . It is also related to or classified as C29-steroid  .  It is also related to or classified as 3beta-sterol  . It is also related to or classified as phytosterols .
The molecule COc1cc(O)cc2C(=O)c3cc(C)cc(O)c3C(=O)c12 COc1cc(O)cc2C(=O)c3cc(C)cc(O)c3C(=O)c12 is A dihydroxyanthraquinone that is 1,6-dihyroxy-9,10-anthraquinone which is substituted by a methyl group at position 3 and a methoxy group at position 8. Its functional parent is emodin . It is a conjugate acid of questin-2-olate . It is also related to or classified as dihydroxyanthraquinone  .
The molecule CCCCCNC(=N)N\N=C\c1c[nH]c2ccc(OC)cc12 CCCCCNC(=N)N\N=C\c1c[nH]c2ccc(OC)cc12 is tegaserod. It has the role of serotonergic agonist . It has the role of gastrointestinal drug .  It is also related to or classified as hydrazines  .  It is also related to or classified as carboxamidine  . It is also related to or classified as guanidines , indoles .
The molecule CC(/C=C\\C/C=C\\C[C@@H](/C=C/C=C\\C/C=C\\CCCCCC(=O)[O-])O)O is a docosanoid anion that is the conjugate base of 14(S),21-dihydroxy-(7Z,10Z,12E,16Z,19Z)-docosapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a docosanoid anion, a hydroxy polyunsaturated fatty acid anion and a long-chain fatty acid anion. It is a conjugate base of a 14(S),21-dihydroxy-(7Z,10Z,12E,16Z,19Z)-docosapentaenoic acid.
The molecule CCCCCOC(C)OCC is a dieter that is 1-pentoxyethane substituted by an ethoxy group at position 1. It has a role as a metabolite.
The molecule ClC([C@@H](O)CC1=C2C(NC3=C2C[C@@H]4CC[C@@]5([C@@]([C@@]34C)(CC[C@H]6[C@@]57O[C@@H]7[C@@H]8O[C@H](C=C(C)C)OC([C@H]8O6)(C)C)C)O)=CC=C1)(C)C ClC([C@@H](O)CC1=C2C(NC3=C2C[C@@H]4CC[C@@]5([C@@]([C@@]34C)(CC[C@H]6[C@@]57O[C@@H]7[C@@H]8O[C@H](C=C(C)C)OC([C@H]8O6)(C)C)C)O)=CC=C1)(C)C is Tolypocladin E. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule CC(C)C(=O)OP(O)(O)=O CC(C)C(=O)OP(O)(O)=O is 2-methylpropanoyl phosphate. It is a conjugate acid of 2-methylpropanoyl phosphate(2-) . It is also related to or classified as acyl monophosphate  .
The molecule P(=O)(OC(C(=O)NC(C1OC(=O)C=2C(O)=CC=CC2C1)CC(C)C)C(O)C(N)CC(=O)O)(O)O P(=O)(OC(C(=O)NC(C1OC(=O)C=2C(O)=CC=CC2C1)CC(C)C)C(O)C(N)CC(=O)O)(O)O is 8'-Phosphoamicoumacin B. Its functional parent is beta-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CNCCCC[C@H](N)C(O)=O CNCCCC[C@H](N)C(O)=O is an L-lysine derivative that is L-lysine in which one of the hydrogens attached to N(6) is substituted by a methyl group. It is also related to or classified as L-lysine derivative , non-proteinogenic L-alpha-amino acid .
The molecule CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N2CC3(C[C@H]2C(=O)O)SCCS3 is a dipeptide, a dithioketal, an azaspiro compound, a dicarboxylic acid monoester, an ethyl ester, a tertiary carboxamide, a secondary amino compound and a pyrrolidinecarboxylic acid. It has a role as a prodrug, an EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor and an antihypertensive agent. It derives from a spiraprilat.
The molecule CS(=O)CCCN=C=S is an isothiocyanate that is 1-isothiocyanatopropane in which a hydrogen at position 3 has been replaced by a methylsulfinyl group. A glucosinolate hydrolysis product found in many members of the Brassicaceae family, it is a quorum-sensing inhibitor (QSI) of the bacterial pathogen Pseudomonas aeruginosa. It has a role as a quorum sensing inhibitor, a plant metabolite and an apoptosis inducer. It is a sulfoxide and an isothiocyanate.
The molecule C1[C@@H](C(=O)N1[C@H](C2=CC=C(C=C2)O)C(=O)O)NC(=O)[C@@H](C3=CC=C(C=C3)OCC[C@H](C(=O)O)N)N is a monobactam that is produced by Nocardia uniformis subsp. tsuyamanensis. It has a role as a bacterial metabolite. It is a monobactam, a dicarboxylic acid, a member of phenols and a D-alpha-amino acid. It derives from a D-homoserine. It is a tautomer of a nocardicin C dizwitterion.
The molecule CCCNCC(COC1=CC=CC=C1C(=O)CCC2=CC=CC=C2)O is an aromatic ketone that is 3-(propylamino)propane-1,2-diol in which the hydrogen of the primary hydroxy group is replaced by a 2-(3-phenylpropanoyl)phenyl group. It is a class 1C antiarrhythmic drug with local anesthetic effects, and is used as the hydrochloride salt in the management of supraventricular and ventricular arrhythmias. It has a role as an anti-arrhythmia drug. It is a secondary amino compound, a secondary alcohol and an aromatic ketone. It is a conjugate base of a propafenone(1+).
The molecule CCC(C)(/C=C(\\C)/C=C/C1=CC2=CC3C(C(=O)O[C@]3([C@@H](C2=CO1)O)C)C(=O)C)O is an azaphilone that is 9,9a-dihydro-2H-furo[3,2-g]isochromen-2-one substituted by an acetyl group at position 3, a hydroxy group at position 9 a 5-hydroxy-3,5-dimethylhepta-1,3-dien-1-yl group at position 6 and a methyl group at position 9a. It has been isolated from Chaetomium cupreum. It has a role as a Chaetomium metabolite. It is a gamma-lactone, an azaphilone, an organic heterotricyclic compound, a methyl ketone and a tertiary alcohol.
The molecule CCC(=O)NCC(=O)[O-] is a monocarboxylic acid anion that is the conjugate base of propionylglycine, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of a propionylglycine.
The molecule CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=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 that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3-oxotriacontanoic acid (3-oxomelissic acid). It is a 3-oxo-fatty acyl-CoA and an ultra-long-chain fatty acyl-CoA. It derives from a triacontanoic acid. It is a conjugate acid of a 3-oxotriacontanoyl-CoA(4-).
The molecule CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C is a C21-steroid hormone in which a pregnane skeleton carries oxo substituents at positions 3 and 20 and is unsaturated at C(4)-C(5). As a hormone, it is involved in the female menstrual cycle, pregnancy and embryogenesis of humans and other species. It has a role as a contraceptive drug, a progestin, a progesterone receptor agonist, a human metabolite and a mouse metabolite. It is a 20-oxo steroid, a 3-oxo-Delta(4) steroid and a C21-steroid hormone. It derives from a hydride of a pregnane.