anonymous041/ChEBI-Augmented huggingface dataset:
The molecule [O-]C(=O)C(F)(F)F.[H][C@@]12CC[C@@]3([H])[C@@H](C(=O)OC(CC)CCCCCCCCCCCCC[C@]4([H])O[C@](O)(CCN)[C@H](O)N(CCCN)C4=O)[C@@]4(CCC[C@H](C)O4)NC(N[C@@]4(CC[C@H](O4)\C=C\CC)C1)=[N+]23 [O-]C(=O)C(F)(F)F.[H][C@@]12CC[C@@]3([H])[C@@H](C(=O)OC(CC)CCCCCCCCCCCCC[C@]4([H])O[C@](O)(CCN)[C@H](O)N(CCCN)C4=O)[C@@]4(CCC[C@H](C)O4)NC(N[C@@]4(CC[C@H](O4)\C=C\CC)C1)=[N+]23 is Monanchocidin A, rel-. It has the role of metabolite . It is also related to or classified as organic molecular entity .
The molecule C1C[C@H](C=C[C@@H]1CC(=O)C(=O)[O-])O is a tetrahydro-4-hydroxyphenylpyruvate obtained by deprotonation of the carboxy group of 3-[(1S,4R)-4-hydroxycyclohex-2-en-1-yl]pyruvic acid; major species at pH 7.3. It is a conjugate base of a 3-[(1S,4R)-4-hydroxycyclohex-2-en-1-yl]pyruvic acid.
The molecule CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@H]([C@H](CN(C2=O)C)OC)C)C(=O)C3CCC3)C CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@H]([C@H](CN(C2=O)C)OC)C)C(=O)C3CCC3)C is N-[(4R,7R,8R)-5-[cyclobutyl(oxo)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCCNC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@H]([C@@H](CN([C@@H](CO2)C)CC3CCCC3)C)OC)C CCCNC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@H]([C@@H](CN([C@@H](CO2)C)CC3CCCC3)C)OC)C is 1-[(5S,6R,9R)-8-(cyclopentylmethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule [H][C@@]12O[C@@H](O)C[C@@]3([H])C(C)(C)CCC[C@]3(C)[C@@]1([H])CCC(C=C)=C2C [H][C@@]12O[C@@H](O)C[C@@]3([H])C(C)(C)CCC[C@]3(C)[C@@]1([H])CCC(C=C)=C2C is (5S,7R, 8R,9R,10S)-(-)-7,8-seco-7,8-oxacassa-13,15-dien-7-ol. It has the role of metabolite . It is also related to or classified as oxacycle .
The molecule C1CC2=C(C=CC(=C2)Cl)C(=C3CCNCC3)C4=C1C=CC=N4 is loratadine in which the ethoxycarbonyl group attached to the piperidine ring is replaced by hydrogen. The major metabolite of loratidine, desloratadine is an antihistamine which is used for the symptomatic relief of allergic conditions including rhinitis and chronic urticaria. It does not readily enter the central nervous system, so does not cause drowsiness. It has a role as a H1-receptor antagonist, an anti-allergic agent and a cholinergic antagonist.
The molecule [C@@]1(O[C@H](CO)[C@H]([C@@H]1O)O)(OC[C@]2(O[C@H](CO)[C@H]([C@@H]2O)O)O)CO [C@@]1(O[C@H](CO)[C@H]([C@@H]1O)O)(OC[C@]2(O[C@H](CO)[C@H]([C@@H]2O)O)O)CO is an inulobiose in which the anomeric centre has beta-configuration. It is also related to or classified as inulobiose  .
The molecule CC(=O)C=Cc1ccccc1 CC(=O)C=Cc1ccccc1 is an enone in which a phenyl ring is attached to the beta-carbon atom of but-3-en-2-one. Although both cis- and trans-isomers are possible for the alpha,beta-unsaturated ketone, only the trans-isomer is observed.  It is also related to or classified as enone  . It is also related to or classified as monoterpenoid .
The molecule [H][C@@]12O[C@@H](O)C[C@@]3([H])C(C)(C)CCC[C@]3(C)[C@@]1([H])CCC(C=C)=C2C=O [H][C@@]12O[C@@H](O)C[C@@]3([H])C(C)(C)CCC[C@]3(C)[C@@]1([H])CCC(C=C)=C2C=O is (5S,7R,8R,9R,10S)-(-)-7,8-seco-7,8-oxacassa-13,15-dien-7-ol-17-al. It has the role of metabolite . It is also related to or classified as oxacycle .
The molecule CCCCCC1=CC(=C(C(=C1C(=O)O)O)C/C=C(\\C)/CCC=C(C)C)O is a dihydroxybenzoic acid that is olivetolic acid in which the hydrogen at position 3 is substituted by a geranyl group. A biosynthetic precursor to Delta(9)-tetrahydrocannabinol, the principal psychoactive constituent of the cannabis plant. It is a dihydroxybenzoic acid, a diterpenoid, a polyketide, a member of resorcinols and a phytocannabinoid. It derives from an olivetolic acid. It is a conjugate acid of a cannabigerolate.
The molecule C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)CC3=CC=CC=C3)C(=O)N(C[C@@H]1OC)C)C)CC4CC4 C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)CC3=CC=CC=C3)C(=O)N(C[C@@H]1OC)C)C)CC4CC4 is N-[(4S,7R,8R)-5-(cyclopropylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-phenylacetamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)N(CCOC)CCOC CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)N(CCOC)CCOC is A member of the class of quinazolines that is quinazoline which is substituted by a 4-methylphenyl group and a bis(2-methoxyethyl)nitrilo group at positions 2 and 4, respectively. It is also related to or classified as toluenes , quinazolines , diether , tertiary amino compound .
The molecule [H][C@@]12O[C@@H](O)C[C@@]3([H])C(C)(C)CCC[C@]3(C)[C@@]1([H])CCC(C=C)=C2CO [H][C@@]12O[C@@H](O)C[C@@]3([H])C(C)(C)CCC[C@]3(C)[C@@]1([H])CCC(C=C)=C2CO is (5S,7R,8R,9R,10S)-(-)-7,8-seco-7,8-oxacassa-13,15-diene-7,17-diol. It has the role of metabolite . It is also related to or classified as oxacycle .
The molecule CCCCCCCCCCCCC(=O)O is a C13 straight-chain saturated fatty acid. It has a role as a plant metabolite. It is a long-chain fatty acid and a straight-chain saturated fatty acid. It is a conjugate acid of a tridecanoate.
The molecule CC([O-])=O.Nc1ccc2nc3ccc(N)cc3[s+]c2c1 CC([O-])=O.Nc1ccc2nc3ccc(N)cc3[s+]c2c1 is thionine acetate. It has the role of fluorochrome . It is also related to or classified as organic salt .
The molecule C(/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OCC(COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)C C(/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OCC(COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)C is 1,2,3-tricervonoylglycerol. Its functional parent is (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate . It is also related to or classified as triglyceride  .
The molecule [H][C@@]1(CC[C@H]2O[C@@]34CCC[N+]1([O-])[C@]2([H])[C@@]3([H])[C@H](C)\C(O4)=C1OC(=O)C(C)=C\1OC)[C@H](O)CC [H][C@@]1(CC[C@H]2O[C@@]34CCC[N+]1([O-])[C@]2([H])[C@@]3([H])[C@H](C)\C(O4)=C1OC(=O)C(C)=C\1OC)[C@H](O)CC is Oxystemokerrine N-oxide. It has the role of metabolite . It is also related to or classified as tertiary amine oxide  .
The molecule C1[C@@H]2C[C@@H]2N([C@@H]1C#N)C(=O)[C@H](C34CC5CC(C3)CC(C5)(C4)O)N is a monocarboxylic acid amide obtained by formal condensation of the carboxy group of (2S)-amino(3-hydroxyadamantan-1-yl)acetic acid with the amino group of (1S,3S,5S)-2-azabicyclo[3.1.0]hexane-3-carbonitrile. Used in its monohydrate form for the treatment of Type II diabetes. It has a role as a hypoglycemic agent and an EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor. It is a member of adamantanes, a nitrile, an azabicycloalkane, a tertiary alcohol and a monocarboxylic acid amide.
The molecule CC1NC(=O)NC1CCCCCC([O-])=O CC1NC(=O)NC1CCCCCC([O-])=O is conjugate base of dethiobiotin; major species at pH 7.3. It has the role of Saccharomyces cerevisiae metabolite . It is also related to or classified as monocarboxylic acid anion  .
The molecule C1=CC=C2C(=C1)C=CC(=C2Cl)OCCCN3C=CN=C3 C1=CC=C2C(=C1)C=CC(=C2Cl)OCCCN3C=CN=C3 is 1-[3-[(1-chloro-2-naphthalenyl)oxy]propyl]imidazole.  It is also related to or classified as organochlorine compound  . It is also related to or classified as naphthalenes .
The molecule [H][C@@]12C[C@]3([H])N4CC[C@@]([H])([C@]5(O\C([C@@H](C)[C@]35[H])=C3OC(=O)C(C)=C/3OC)O1)[C@]24C[C@@H](O)CC [H][C@@]12C[C@]3([H])N4CC[C@@]([H])([C@]5(O\C([C@@H](C)[C@]35[H])=C3OC(=O)C(C)=C/3OC)O1)[C@]24C[C@@H](O)CC is 2'-hydroxystemofoline. It has the role of metabolite . It is also related to or classified as alkaloid  .
The molecule C([C@H]1[C@H]([C@H]([C@@H]([C@H](O1)OP(=O)([O-])[O-])O)O)O)O is a L-galactose 1-phosphate(2-) in which the anomeric center has beta-configuration. It has a role as a fundamental metabolite. It is a conjugate base of a beta-L-galactose 1-phosphate.
The molecule [H][C@@]1(CCC[C@]2([H])N1CCC=C1O\C([C@@H](C)[C@]21[H])=C1OC(=O)C(C)=C/1OC)[C@H](O)CC [H][C@@]1(CCC[C@]2([H])N1CCC=C1O\C([C@@H](C)[C@]21[H])=C1OC(=O)C(C)=C/1OC)[C@H](O)CC is stemokerrine. It has the role of metabolite . It is also related to or classified as citraconoyl group  .
The molecule C[C@H]1[C@@H](C[C@H]([C@@H](O1)OCCCCCCCCC[C@H](CC(=O)O)O)O)OC(=O)C2=CNC3=CC=CC=C32 is an omega-hydroxy fatty acid ascaroside that is bhos#20 in which the hydroxy group at position 4 of the ascarylopyranose moiety has been has been converted to the corresponding 1H-indole-3-carboxylate ester. It is a metabolite of the nematode Caenorhabditis elegans. It has a role as a Caenorhabditis elegans metabolite. It is a 3-hydroxy carboxylic acid, a 4-O-(1H-indol-3-ylcarbonyl)ascaroside, an omega-hydroxy fatty acid ascaroside and a monocarboxylic acid. It derives from a bhos#20 and a (3R)-3,12-dihydroxylauric acid.
The molecule CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@@H]([C@H](CN(C2=O)C)OC)C)C(=O)C3CCC3)C CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@@H]([C@H](CN(C2=O)C)OC)C)C(=O)C3CCC3)C is N-[(4S,7S,8R)-5-[cyclobutyl(oxo)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule [H][C@@]12[C@H]3CCCN1CCC[C@@]1(O3)O\C([C@@H](C)[C@]21[H])=C1OC(=O)C(C)=C/1OC [H][C@@]12[C@H]3CCCN1CCC[C@@]1(O3)O\C([C@@H](C)[C@]21[H])=C1OC(=O)C(C)=C/1OC is stemocurtisine. It has the role of metabolite . It is also related to or classified as furofuran .
The molecule C(C(CO)O)O is a triol with a structure of propane substituted at positions 1, 2 and 3 by hydroxy groups. It has a role as an osmolyte, a solvent, a detergent, a human metabolite, an algal metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite and a mouse metabolite. It is an alditol and a triol.
The molecule [H][C@@]1(CC[C@H]2O[C@@]34CCCN1[C@]2([H])[C@@]3([H])[C@H](C)\C(O4)=C1OC(=O)C(C)=C\1OC)[C@H](O)CC [H][C@@]1(CC[C@H]2O[C@@]34CCCN1[C@]2([H])[C@@]3([H])[C@H](C)\C(O4)=C1OC(=O)C(C)=C\1OC)[C@H](O)CC is oxystemokerrine. It has the role of metabolite . It is also related to or classified as citraconoyl group  .
The molecule CCCCCOC(=O)NC1=NC(=O)N(C=C1F)[C@H]2[C@@H]([C@@H]([C@H](O2)C)O)O is a carbamate ester that is cytidine in which the hydrogen at position 5 is replaced by fluorine and in which the amino group attached to position 4 is converted into its N-(penyloxy)carbonyl derivative. Capecitabine is a antineoplastic agent used in the treatment of cancers. It has a role as an antineoplastic agent, a prodrug and an antimetabolite. It is a carbamate ester, an organofluorine compound and a member of cytidines.
The molecule C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C)C(=O)N(C[C@@H]1OC)C)C)C(=O)C3CCC3 C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C)C(=O)N(C[C@@H]1OC)C)C)C(=O)C3CCC3 is N-[(5R,6R,9R)-8-[cyclobutyl(oxo)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-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 [H][C@]1(CC[C@H]2O[C@@]34CCCN1[C@]2([H])[C@@]3([H])[C@H](C)\C(O4)=C1OC(=O)C(C)=C\1OC)[C@@H](O)CC [H][C@]1(CC[C@H]2O[C@@]34CCCN1[C@]2([H])[C@@]3([H])[C@H](C)\C(O4)=C1OC(=O)C(C)=C\1OC)[C@@H](O)CC is stemocurtisinol. It has the role of metabolite . It is also related to or classified as citraconoyl group  .
The molecule C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)O is a steroid glucosiduronic acid that is 4-hydroxyestrone having a single beta-D-glucuronic acid residue attached at position 4. It is a beta-D-glucosiduronic acid, a 17-oxo steroid, a 3-hydroxy steroid and a steroid glucosiduronic acid. It derives from a 4-hydroxyestrone. It is a conjugate acid of a 4-hydroxyestrone 4-O-(beta-D-glucuronide)(1-).
The molecule [H]C(=C1C=CN(CCC[N+](C)(C)C)c2ccccc12)c1sc2ccccc2[n+]1C [H]C(=C1C=CN(CCC[N+](C)(C)C)c2ccccc12)c1sc2ccccc2[n+]1C is A cationic C1 cyanine dye having benzothiazolium-2-yl and quinolinium-4-yl substituents. It has the role of fluorochrome . It is also related to or classified as cyanine dye , quinolinium ion , benzothiazolium ion .
The molecule [H][C@]1(C[C@H](C)C(=O)O1)[C@]1([H])C[C@H]2O[C@@]34CCCN1[C@]2([H])[C@@]3([H])[C@H](C)\C(O4)=C1OC(=O)C(C)=C\1OC [H][C@]1(C[C@H](C)C(=O)O1)[C@]1([H])C[C@H]2O[C@@]34CCCN1[C@]2([H])[C@@]3([H])[C@H](C)\C(O4)=C1OC(=O)C(C)=C\1OC is oxyprotostemonine. It has the role of metabolite . It is also related to or classified as alkaloid  .
The molecule C1C(OC2=C(C(=C(C(=C2C1=O)O)C(CCCC(=O)O)/C=C/C3=CC=CC=C3)O)C(/C=C/CCCC(=O)O)C4=CC=CC=C4)C5=CC=CC=C5 is a dihydroxyflavanone that is flavanone substituted by hydroxy groups at positions 5 and 7, a 6-carboxy-1-phenylhex-2-en-1-yl group at position 8 and 6-carboxy-1-phenylhex-2-en-3-yl groups at position 6. It has been isolated as a racemate from the bark of Cryptocarya chartacea and exhibits inhibitory activity against dengue virus NS5 polymerase. It has a role as an antiviral agent and a plant metabolite. It is a dicarboxylic acid and a dihydroxyflavanone.
The molecule [NH3+][C@@H](CS)C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O [NH3+][C@@H](CS)C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O is conjugate acid of 1D-myo-inositol 2-(L-cysteinylamino)-2-deoxy-alpha-D-glucopyranoside arising from protonation of the amino acid nitrogen. It is a conjugate acid of 1D-myo-inositol 2-(L-cysteinylamino)-2-deoxy-alpha-D-glucopyranoside . It is also related to or classified as ammonium ion derivative .
The molecule CCN(CC)CCCN(C1=NC(=CS1)C2=CC=C(C=C2)Cl)C(=O)C3=CC=CO3 CCN(CC)CCCN(C1=NC(=CS1)C2=CC=C(C=C2)Cl)C(=O)C3=CC=CO3 is N-[4-(4-chlorophenyl)-2-thiazolyl]-N-[3-(diethylamino)propyl]-2-furancarboxamide. It is also related to or classified as heteroarene  . It is also related to or classified as aromatic amide .
The molecule [H][C@]1(C[C@H](C)C(=O)O1)[C@]1([H])CC[C@]2([H])N1CCC[C@@]1([H])O\C([C@@H](C)[C@]21[H])=C1OC(=O)C(C)=C/1OC [H][C@]1(C[C@H](C)C(=O)O1)[C@]1([H])CC[C@]2([H])N1CCC[C@@]1([H])O\C([C@@H](C)[C@]21[H])=C1OC(=O)C(C)=C/1OC is protostemonine. It has the role of metabolite . It is also related to or classified as alkaloid  .
The molecule C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=C(NC3=O)N)COP(=O)(O)O[C@H]4C[C@@H](O[C@@H]4COP(=O)(O)O)N5C=NC6=C5N=C(NC6=O)N)O.N.N.[Pt+2] is a cisplatin-modified (di)nucleotide in which cisplatin has formed an adduct with one molecule of d(pGpG), coordinated to platinum through the N(7) atoms of both guanine moieties. It contains a 5'-d(pGpG)-3'.
The molecule [H][C@]1(C[C@H](C)C(=O)O1)[C@]1([H])C[C@@]2([H])[C@]3([H])[C@H](C)C(=O)O[C@]3([H])[C@H](CC)[C@@]3([H])CCCCN1[C@@]23[H] [H][C@]1(C[C@H](C)C(=O)O1)[C@]1([H])C[C@@]2([H])[C@]3([H])[C@H](C)C(=O)O[C@]3([H])[C@H](CC)[C@@]3([H])CCCCN1[C@@]23[H] is neotuberostemonine. It has the role of metabolite . It is also related to or classified as alkaloid  .
The molecule CC(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-])[C@H](C(=O)NCCC(=O)NCCSC(=O)C4=CC=CO4)O is an acyl-CoA(4-) that is the tetraanion of 2-furoyl-CoA arising from deprotonation of phosphate and diphosphate functions. It is a conjugate base of a 2-furoyl-CoA.
The molecule [H][C@]1(C[C@H](C)C(=O)O1)[C@]1([H])C[C@]2([H])[C@@]3([H])[C@@H](C)C(=O)O[C@@]3([H])[C@H](CC)[C@@]3([H])CCCCN1[C@@]23[H] [H][C@]1(C[C@H](C)C(=O)O1)[C@]1([H])C[C@]2([H])[C@@]3([H])[C@@H](C)C(=O)O[C@@]3([H])[C@H](CC)[C@@]3([H])CCCCN1[C@@]23[H] is tuberostemonine N. It has the role of metabolite . It is also related to or classified as alkaloid  .
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]([C@H](O[C@@H]3O[C@H]4[C@@H]([C@H](OC([C@H]4O)O)CO)O)CO)O)O)CO)O)O)O)O)O)O is a mannotetarose consisting of three alpha-D-mannopyranose residues and a D-mannopyranose residue joined in sequence by (1->2), (1->2) and (1->3) glycosidic bonds.
The molecule C1[C@@]2(C=3CC[C@]4([C@](C3CC[C@]2([C@@H]([C@H](C1)O)CO)[H])(CC[C@@]4([C@@H](CCC=C(C)C)C)[H])[H])C)C C1[C@@]2(C=3CC[C@]4([C@](C3CC[C@]2([C@@H]([C@H](C1)O)CO)[H])(CC[C@@]4([C@@H](CCC=C(C)C)C)[H])[H])C)C is A 4-hydroxymethylzymosterol in which the hydroxymethyl group at position 4 has alpha-configuration. Its functional parent is 4alpha-methylzymosterol . It is also related to or classified as 4-hydroxymethylzymosterol  .
The molecule O1[C@@H](N2C=CC(=NC2=O)NC(=O)C)C[C@H](O)[C@H]1CO O1[C@@H](N2C=CC(=NC2=O)NC(=O)C)C[C@H](O)[C@H]1CO is 2'-deoxyytidine in which one of the exocyclic amino hydrogens is substituted by an acetyl group. It is also related to or classified as secondary carboxamide  . It is also related to or classified as pyrimidine 2'-deoxyribonucleoside .
The molecule [H][C@]1(C[C@H](C)C(=O)O1)[C@@]1([H])C[C@]2([H])[C@@]3([H])[C@H](C)C(=O)O[C@@]3([H])[C@H](CC)[C@@]3([H])CCCCC1[C@@]23[H] [H][C@]1(C[C@H](C)C(=O)O1)[C@@]1([H])C[C@]2([H])[C@@]3([H])[C@H](C)C(=O)O[C@@]3([H])[C@H](CC)[C@@]3([H])CCCCC1[C@@]23[H] is tuberostemonine A. It has the role of metabolite . It is also related to or classified as terpene lactone .
The molecule CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC1=C(C(=CC=C1)OC)O)/C)/C)/C)/C)/C)C is a monomethoxybenzene that is 6-methoxyphenol substituted by a (all-trans)-hexaprenyl group at position 2. It has a role as a Saccharomyces cerevisiae metabolite and a mouse metabolite.
The molecule C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NS(=O)(=O)C)C(=O)N(C[C@H]1OC)C)C)CC3CCOCC3 C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NS(=O)(=O)C)C(=O)N(C[C@H]1OC)C)C)CC3CCOCC3 is N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-5-(4-oxanylmethyl)-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NS(=O)(=O)C)C(=O)N(C[C@@H]1OC)C)C)C(=O)CC3CC3 C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NS(=O)(=O)C)C(=O)N(C[C@@H]1OC)C)C)C(=O)CC3CC3 is N-[(4R,7S,8R)-5-(2-cyclopropyl-1-oxoethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule [H][C@]1(C[C@H](C)C(=O)O1)[C@]1([H])C[C@]2([H])[C@@]3([H])[C@H](C)C(=O)O[C@@]3([H])[C@H](CC)[C@@]3([H])CCCCN1[C@@]23[H] [H][C@]1(C[C@H](C)C(=O)O1)[C@]1([H])C[C@]2([H])[C@@]3([H])[C@H](C)C(=O)O[C@@]3([H])[C@H](CC)[C@@]3([H])CCCCN1[C@@]23[H] is tuberostemonine. It has the role of metabolite . It is also related to or classified as alkaloid  .
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]([C@H](O2)CO)O)O)O)O)O)O)O is a trehalose in which one of the glucose residues has alpha-configuration at the anomeric carbon, while the other has alpha-configuration. It is a trehalose, an alpha-D-glucoside and a beta-D-glucoside.
The molecule [H][C@]1(C[C@H](C)C(=O)O1)[C@]1([H])CC[C@]2([H])N1CCCC[C@]21C[C@@H](C)C(=O)O1 [H][C@]1(C[C@H](C)C(=O)O1)[C@]1([H])CC[C@]2([H])N1CCCC[C@]21C[C@@H](C)C(=O)O1 is croomine. It has the role of metabolite . It is also related to or classified as alkaloid  .
The molecule C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O[C@@]6(C[C@@H]([C@H]([C@@H](O6)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O[C@H]7[C@H]([C@@H]([C@@H]([C@@H](O7)C)O)O)O)NC(=O)C)O)CO)O[C@H]8[C@H]([C@H](O[C@H]([C@@H]8O)O[C@@H]9[C@H](O[C@H]([C@@H]([C@H]9O)O)O)CO)CO)O)NC(=O)C)O)O)O is a branched amino nonasaccharide comprising a linear heptasaccharide chain consisting of N-acetylalpha-neuraminic acid, beta-D-galactose, N-acetyl-beta-D-glucosamine, beta-D-galactose, N-acetyl-beta-D-glucosamine, beta-D-galactose, and beta-D-glucose residues, linked sequentially (2->3), (1->4), (1->3), (1->4), (1->3), and (1->4), with alpha-L-fucosyl residues linked (1->3) to each of the N-acetyl-D-glucosamine residues. It is a member of N-acetylneuraminic acids and an amino nonasaccharide.
The molecule [H]C(CCCCCCCC)=C([H])CCCCCCCC(=O)OCC(O)COP(O)(O)=O [H]C(CCCCCCCC)=C([H])CCCCCCCC(=O)OCC(O)COP(O)(O)=O is 1-octadec-9-enoylglycero-3-phosphate. It has the role of mitogen . It has the role of human metabolite . Its functional parent is octadec-9-enoic acid . It is also related to or classified as 2-lysophosphatidic acid  .
The molecule C(=C(\CC/C=C(/CC/C=C(/CCC(C)=C)\C(O)=O)\CO)/C)\CO C(=C(\CC/C=C(/CC/C=C(/CCC(C)=C)\C(O)=O)\CO)/C)\CO is A diterpenoid isolated from the leaves of Smallanthus sonchifolius. It has the role of plant metabolite . It is also related to or classified as primary allylic alcohol  . It is also related to or classified as diterpenoid  . It is also related to or classified as dihydroxy monocarboxylic acid , olefinic compound .
The molecule [H][C@]12C[C@@H]3O[C@@]4(O\C([C@@H](C)[C@]14[H])=C1OC(=O)C(C)=C/1OC)[C@@]1([H])CCN2[C@@]31\C=C\CC [H][C@]12C[C@@H]3O[C@@]4(O\C([C@@H](C)[C@]14[H])=C1OC(=O)C(C)=C/1OC)[C@@]1([H])CCN2[C@@]31\C=C\CC is Didehydrostemofoline. It has the role of metabolite . It is also related to or classified as alkaloid  .
The molecule C1=NC2=C(N1)C(=NC(=N2)N)Cl is an organochlorine compound that is 7H-purin-2-amine substituted by a chloro group at position 6. It is a member of 2-aminopurines and an organochlorine compound.
The molecule C1COCCN1C(CNC(=O)C2=CC=C(O2)Br)C3=CC=C(C=C3)F C1COCCN1C(CNC(=O)C2=CC=C(O2)Br)C3=CC=C(C=C3)F is 5-bromo-N-[2-(4-fluorophenyl)-2-(4-morpholinyl)ethyl]-2-furancarboxamide. It is also related to or classified as heteroarene  . It is also related to or classified as aromatic amide .
The molecule [H][C@@]12C[C@]3([H])N4CC[C@@]([H])([C@]5(O\C([C@@H](C)[C@]35[H])=C3OC(=O)C(C)=C/3OC)O1)[C@]24CCCC [H][C@@]12C[C@]3([H])N4CC[C@@]([H])([C@]5(O\C([C@@H](C)[C@]35[H])=C3OC(=O)C(C)=C/3OC)O1)[C@]24CCCC is stemofoline. It has the role of metabolite . It is also related to or classified as alkaloid  .
The molecule CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)COS(=O)(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](O2)C(=O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COS(=O)(=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)C(=O)O)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COS(=O)(=O)O)O[C@H]6[C@@H]([C@H](C=C(O6)C(=O)O)O)OS(=O)(=O)O)O)NS(=O)(=O)O)O)OS(=O)(=O)O)O)NS(=O)(=O)O)O)O)O is a heparin hexasaccharide consisting of 4-deoxy-2-O-sulfo-L-threo-hex-4-enopyranuronosyl, 2-deoxy-6-O-sulfo-2-(sulfoamino)-D-glucopyranosyl, 2-O-sulfo-L-idopyranuronosyl, 2-deoxy-6-O-sulfo-2-(sulfoamino)-D-glucopyranosyl, alpha-L-idopyranuronosyl, and 2-acetamido-2-deoxy-6-O-sulfo-alpha-D-glucopyranose joined in sequence by alpha-(1->4) linkages. Sequence: DUAp2S(1-4)-a-D-GlcNpS6S (1-4)-a-L-IdoAp2S(1-4)-a-D-GlcNpS6S(1-4)-a-L-IdoAp(1-4)-a-D-GlcNpAc6S It is a heparin hexasaccharide, an amino hexasaccharide and an oligosaccharide sulfate.
The molecule C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C)C(=O)N(C[C@H]1OC)C)C)C(=O)C3CCC3 C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C)C(=O)N(C[C@H]1OC)C)C)C(=O)C3CCC3 is N-[(5S,6R,9S)-8-[cyclobutyl(oxo)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-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]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)COC)C(=O)N(C[C@@H]1OC)C)C)CCC(F)(F)F C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)COC)C(=O)N(C[C@@H]1OC)C)C)CCC(F)(F)F is 2-methoxy-N-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3,3,3-trifluoropropyl)-11-oxa-3,8-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 .