anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)NC(C)C)C(=O)N(C[C@H]1OC)C)C)C(=O)CC3CC3 C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)NC(C)C)C(=O)N(C[C@H]1OC)C)C)C(=O)CC3CC3 is 1-[(5S,6S,9R)-8-(2-cyclopropyl-1-oxoethyl)-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-propan-2-ylurea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC1=C(C=C(C2=C1OC(=CC2=O)C3=CC=C(C=C3)O)O)OC is a monomethoxyflavone that is sideroxylin in which the methyl group at position 6 has been replaced by a hydrogen. It has been isolated from Hydrastis canadensis and Dracaena cochinchinensis. It has a role as a plant metabolite. It is a dihydroxyflavone and a monomethoxyflavone. It derives from a sideroxylin.
The molecule CNCC[C@@]1(CCc2ncccc2C1)c1ccc(OC)c(OC)c1 CNCC[C@@]1(CCc2ncccc2C1)c1ccc(OC)c(OC)c1 is 5,6,7,8-Tetrahydroquinoline in whith the hydrogens at position 6 are substituted by a 3-azabutyl group and a 3,4-dimethoxyphenyl group. (S configuration). It is found in the herb kanna (Sceletium tortuosum). It has the role of plant metabolite . It is also related to or classified as quinoline alkaloid .
The molecule CC1=CC(=C2C(=C1)OC3=CC(=CC(=C3C2=O)C(=O)OC)O)O is a member of the class of xanthones that is 9H-xanthene substituted by a methyl group at position 6, hydroxy groups at positions 3 and 8, an oxo group at position 9 and a methoxy carbonyl at position 1. It has been isolated from Microdiplodia species and Aspergillus sydowii. It has a role as an Aspergillus metabolite. It is a member of xanthones, a polyphenol, an aromatic ester and a methyl ester.
The molecule CC(C)(C)[C@]1(O)C[C@@H]2OC(=O)C[C@@]22C(=O)O[C@@H]3OC(=O)[C@H](O)[C@]123 CC(C)(C)[C@]1(O)C[C@@H]2OC(=O)C[C@@]22C(=O)O[C@@H]3OC(=O)[C@H](O)[C@]123 is A terpenoid trilactone found in extracts of Ginkgo biloba. It is also related to or classified as sesquiterpene lactone .
The molecule C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC(=CC=C3)OC)C(=O)N(C[C@@H]1OC)C)C)C C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC(=CC=C3)OC)C(=O)N(C[C@@H]1OC)C)C)C is 1-(3-methoxyphenyl)-3-[(4S,7S,8R)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC(C)=C[C@H]1C\C(=C\CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)O1 CC(C)=C[C@H]1C\C(=C\CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)O1 is A monoterpene glycoside that is geraniol-5,10-olide glycosylated at position 1 by a beta-D-glucopyranosyl group. Isolated from the aerial parts of Sibiraea angustata, it exhibits anti-obesity activity. It has the role of metabolite . It has the role of anti-obesity agent . It is also related to or classified as beta-D-glucoside  . It is also related to or classified as gamma-lactone  . It is also related to or classified as terpene lactone , monosaccharide derivative , monoterpene glycoside .
The molecule C[C@H](CCCCCCCCCCCCCCCC/C=C/C(=O)O)O is an (omega-1)-hydroxy fatty acid that is henicosanoic acid in which a double bond with E configuration has been introduced at the 2-3 position and in which the pro-R hydrogen at position 20 has been replaced by a hydroxy group. It is an (omega-1)-hydroxy fatty acid, a long-chain fatty acid, an alpha,beta-unsaturated monocarboxylic acid and a hydroxy monounsaturated fatty acid.
The molecule O=C1C(C=2C(=O)C=C(O)C=3C2C=C4OC(C)=CC(=C4C3O)O)=C5C(=C(O)C6=C(O)C=C(OC6=C5)C)C(=C1)O O=C1C(C=2C(=O)C=C(O)C=3C2C=C4OC(C)=CC(=C4C3O)O)=C5C(=C(O)C6=C(O)C=C(OC6=C5)C)C(=C1)O is Iso-ustilaginoidin A. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule CCCC(=O)O[C@H]1[C@H](C[C@]2([C@H]1[C@H]([C@@]34CO[C@@]2([C@@]([C@@H]3[C@H](C=C[C@H]4OC(=O)C)C(=C)C)(C)O)O)OC(=O)C5=CC=CC=C5)OC(=O)C)C is a tetracyclic diterpenoid isolated from the whole plant of Euphorbia decipiens and exhibits inhibitory activity against prolyl endopeptidase (EC 3.4.21.26). It has a role as a metabolite and an EC 3.4.21.26 (prolyl oligopeptidase) inhibitor. It is a butyrate ester, a tetracyclic diterpenoid, a benzoate ester, an acetate ester, a cyclic ether, a bridged compound and a lactol.
The molecule COc1ccc(C=O)cc1OC COc1ccc(C=O)cc1OC is A dimethoxybenzene that is benzaldehyde substituted by methoxy groups at positions 3 and 4. It is found in peppermint, ginger, raspberry, and other fruits. It has the role of antifungal agent . It is also related to or classified as benzaldehydes , dimethoxybenzene .
The molecule [H]C(=O)\C=C\CCCCCCCCCCCCC [H]C(=O)\C=C\CCCCCCCCCCCCC is A hexadecenal containing a double bond at position 2 (the trans-stereoisomer). It is also related to or classified as 2-hexadecenal  . It is also related to or classified as trans-2,3-unsaturated fatty aldehyde  .
The molecule C[NH2+]C(CCc1nc(C[C@H](N)C(O)=O)c[nH]1)C(O)=O C[NH2+]C(CCc1nc(C[C@H](N)C(O)=O)c[nH]1)C(O)=O is an ammonium ion that is a derivative of L-histidine having a 3-carboxy-3-(methylammonio)propyl group at the 2-position on the imidazole ring. It is a conjugate acid of 2-[3-carboxylato-3-(methylammonio)propyl]-L-histidine dizwitterion . It is also related to or classified as ammonium ion derivative .
The molecule CC(C)=CCc1cc2c(cc1O)[nH]c1ccc(C)cc21 CC(C)=CCc1cc2c(cc1O)[nH]c1ccc(C)cc21 is A carbazole alkaloid that is 9H-carbazole substituted by a hydroxy group at position 2, a methyl group at position 6 and a prenyl group at position 3. Isolated from Murraya siamensis, it exhibits anti-HIV activity. It has the role of metabolite . It has the role of anti-HIV agent . It is also related to or classified as phenols  . It is also related to or classified as carbazole alkaloid .
The molecule C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NS(=O)(=O)CC(F)(F)F)C(=O)N(C[C@H]1OC)C)C)C C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NS(=O)(=O)CC(F)(F)F)C(=O)N(C[C@H]1OC)C)C)C is 2,2,2-trifluoro-N-[(5S,6R,9S)-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]ethanesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule OS(=O)S(=O)[O-] is a sulfur oxoanion. It is a conjugate base of a dithionous acid. It is a conjugate acid of a dithionite(2-).
The molecule CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CC=CC=C2C(F)(F)F)C(=O)OC is a pentasubstituted dihydropyridine carrying methoxycarbonyl, 2-(trifluoromethyl)phenyl and nitro substituents at positions 3, 4 and 5 respectively as well as two methyl substituents at positions 2 and 6. It is a dihydropyridine, a methyl ester, a C-nitro compound and a member of (trifluoromethyl)benzenes.
The molecule CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)OC1OP(O)(=O)OC[C@H](N)C(O)=O CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)OC1OP(O)(=O)OC[C@H](N)C(O)=O is an N-acyl-D-glucosamine 1-phosphate in which the phosphate group of 2-(acetylamino)-2-deoxyglucose 1-phosphate is esterified by the alcoholic hydroxy group of L-serine. It is a conjugate acid of O-(N-acetylglucosamine-1-phosphonatooxy)-L-serine(1-) . It is also related to or classified as N-acyl-D-glucosamine 1-phosphate , O-phosphoamino acid , L-serine derivative .
The molecule [H][C@]1(CC(=O)OC(C)(O)[C@H](C)N1)[C@H](O)[C@H](O)C(=O)N[C@@H](CC(C)C)[C@]1([H])Cc2cccc(O)c2C(=O)O1 [H][C@]1(CC(=O)OC(C)(O)[C@H](C)N1)[C@H](O)[C@H](O)C(=O)N[C@@H](CC(C)C)[C@]1([H])Cc2cccc(O)c2C(=O)O1 is A member of the class of isocoumarins isolated from the marine fungus Alternaria tenuis and has been shown to exhibit cytotoxic activities. It has the role of antineoplastic agent . It has the role of marine metabolite . It has the role of fungal metabolite . It is also related to or classified as tertiary alcohol  . It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as secondary alcohol  . It is also related to or classified as isocoumarins .
The molecule OC[C@H]1O[C@@H](O)[C@H](NC(=O)CCCCCNc2c(cc(cc2[N+]([O-])=O)[N+]([O-])=O)C(O)=O)[C@@H](O)[C@@H]1O OC[C@H]1O[C@@H](O)[C@H](NC(=O)CCCCCNc2c(cc(cc2[N+]([O-])=O)[N+]([O-])=O)C(O)=O)[C@@H](O)[C@@H]1O is an N-acyl-beta-D-glucosamine where the N-acyl group is specified as 6-[(2-carboxy-4,6-dinitrophenyl)amino]hexanoyl.   It is also related to or classified as N-acyl-beta-D-glucosamine  . It is also related to or classified as benzoic acids , C-nitro compound .
The molecule CC1=CCCC1(C)C CC1=CCCC1(C)C is A cycloalkene consisting of cyclopentene having a methyl group at the 1-position and gem-dimethyl groups at the 5-position. It is also related to or classified as cycloalkene  .
The molecule C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O[C@H]2[C@@H]([C@H]([C@@H](O2)[C@@H](CO)O)O)O)O)O is a glycosylmannose consisting of an beta-D-galactofuranosyl residue attached to alpha-D-mannopyranose at the 3-position. It has a role as an epitope.
The molecule C[C@H]1CC=C[C@@]23[C@@]1([C@H]([C@@H]([C@H](O2)O)C)C(=O)CC3)C is a sesquiterpenoid of the class of nardosinane-type terpenoids isolated from the Formosan soft coral Lemnalia flava, and has been shown to exhibit neuroprotective activity. It has a role as a neuroprotective agent and a coral metabolite. It is a cyclic ether, an organic heterotricyclic compound, a cyclic ketone, a secondary alcohol and a sesquiterpenoid.
The molecule CC(O)(Cc1ccc(O)cc1)c1ccc(O)cc1 CC(O)(Cc1ccc(O)cc1)c1ccc(O)cc1 is 1,2-bis(4-hydroxyphenyl)propan-2-ol. It has the role of mouse metabolite . It is also related to or classified as phenols  . It is also related to or classified as secondary alcohol  .
The molecule C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)N(C[C@H]1OC)C)C)CC5=CC6=C(C=C5)OCO6 C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)N(C[C@H]1OC)C)C)CC5=CC6=C(C=C5)OCO6 is N-[(5S,6R,9R)-8-(1,3-benzodioxol-5-ylmethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,3-benzodioxole-5-carboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule [H][C@@]12CC[C@@]3(C)[C@]4([H])CCC5=C(C(=O)OC5)[C@@]4(C)[C@H](O)C[C@]3([H])[C@@]1(C)CCC[C@@]2(C)CO [H][C@@]12CC[C@@]3(C)[C@]4([H])CCC5=C(C(=O)OC5)[C@@]4(C)[C@H](O)C[C@]3([H])[C@@]1(C)CCC[C@@]2(C)CO is A scalarane sesterterpenoid isolated from the marine sponge Hyrtios erectus and has been shown to exhibit antineoplastic activity. It has the role of metabolite . It has the role of antineoplastic agent . It is also related to or classified as primary alcohol  . It is also related to or classified as secondary alcohol  . It is also related to or classified as gamma-lactone  . It is also related to or classified as terpene lactone , organic heteropentacyclic compound , scalarane sesterterpenoid .
The molecule C[C@H]1OC(O)[C@H](NC(C)=O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]1O C[C@H]1OC(O)[C@H](NC(C)=O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]1O is A three-membered deoxy oligosaccharide which has a 6-deoxy-N-acetyl-D-glucosamine unit at the reducing end with an alpha-D-galactosyl-(1->3)-beta-D-galactosyl group attached at the 4-position. It is also related to or classified as glucosamine oligosaccharide , amino trisaccharide , deoxy oligosaccharide derivative .
The molecule C/C(=N\\N=C(N)N)/C=N/N=C(N)N.Cl.Cl is a hydrochloride obtained by combining mitoguazone with two molar equivalents of hydrochloric acid. It has a role as an antineoplastic agent, an apoptosis inducer and an EC 4.1.1.50 (adenosylmethionine decarboxylase) inhibitor. It contains a mitoguazone(2+).
The molecule C[C@]1([C@@H](CC(=O)O1)O)C[C@](C)(CCCCCCCC/C=C/C=C/C2=CC=CC=C2)O is a butan-4-olide that is dihydrofuran-2(3H)-one substituted by a hydroxy group at position 4, a 2-hydroxy-2-methyl-14-phenyltetradeca-11,13-dien-1-yl group at position 5 and a methyl group at position 5 (the 4R,5R stereoisomer). It is isolated from the Australian marine sponge Plakinastrella clathrata. It has a role as a metabolite. It is a butan-4-olide and a diol.
The molecule C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3CCC3)C(=O)N(C[C@@H]1OC)C)C)CC4=CC=CC=N4 C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3CCC3)C(=O)N(C[C@@H]1OC)C)C)CC4=CC=CC=N4 is N-[(4R,7R,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]cyclobutanecarboxamide. 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]([C@H]([C@H](O[C@H]2O[C@@H]3[C@H](OC([C@@H]([C@H]3O)O[C@H]4[C@H]([C@@H]([C@@H]([C@@H](O4)C)O)O)O)O)CO)CO)O)O)O)O)O is a tetrasaccharide that is lactose in which the hydroxy groups at the 2 and 2' positions have been glycosylated by alpha-L-fucosyl groups. It derives from a 2'-fucosyllactose and an alpha-L-fucose.
The molecule [H][C@@]12CC[C@@]3(C)[C@]4([H])CCC5=C(C(=O)OC5)[C@@]4(C)[C@H](O)C[C@]3([H])[C@@]1(C)CCC[C@]2(C)CO [H][C@@]12CC[C@@]3(C)[C@]4([H])CCC5=C(C(=O)OC5)[C@@]4(C)[C@H](O)C[C@]3([H])[C@@]1(C)CCC[C@]2(C)CO is A scalarane sesterterpenoid isolated from the marine sponge Hyrtios erectus and has been shown to exhibit antineoplastic activity. It has the role of metabolite . It has the role of antineoplastic agent . It is also related to or classified as primary alcohol  . It is also related to or classified as secondary alcohol  . It is also related to or classified as gamma-lactone  . It is also related to or classified as terpene lactone , organic heteropentacyclic compound , scalarane sesterterpenoid .
The molecule CC(=O)N[C@@H]1C[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@@H](CO)OC1O CC(=O)N[C@@H]1C[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@@H](CO)OC1O is A three-membered deoxy oligosaccharide which has a 2-acetamido-2,3-dideoxy-D-ribo-hexose unit at the reducing end with an alpha-D-galactosyl-(1->3)-beta-D-galactosyl group attached at the 4-position. It is also related to or classified as glucosamine oligosaccharide , amino trisaccharide , deoxy oligosaccharide derivative .
The molecule S(OC=1C=C2OC(=C(OC)C(=O)C2=C(O)C1O)C3=CC(O)=C(O)C=C3)(O)(=O)=O S(OC=1C=C2OC(=C(OC)C(=O)C2=C(O)C1O)C3=CC(O)=C(O)C=C3)(O)(=O)=O is Quercetagetin 3-methyl ether 7-O-sulfate. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule CCCCCCCCCCCCCCCC/C=C\\OC[C@H](COP(=O)([O-])OCC[NH3+])OC(=O)CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CC is a 1-(Z)-alk-1-enyl-2-acyl-sn-glycero-3-phosphoethanolamine zwitterion in which the alk-1-enyl and acyl groups are specified as (1Z)-octadecenyl and (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl respectively. It is a 1-(Z)-alk-1-enyl-2-acyl-sn-glycero-3-phosphoethanolamine zwitterion and a 1-O-(1Z-octadecenyl)-2-acyl-sn-glycero-3-phosphoethanolamine zwitterion. It is a tautomer of a 1-(1Z-octadecenyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine.
The molecule CC(O)CO CC(O)CO is the simplest member of the class of propane-1,2-diols, consisting of propane in which a hydrogen at position 1 and a hydrogen at position 2 are substituted by hydroxy groups. A colourless, viscous, hygroscopic, low-melting (-59degreeC) and high-boiling (188degreeC) liquid with low toxicity, it is used as a solvent, emulsifying agent, and antifreeze. It has the role of protic solvent . It has the role of allergen . It has the role of mouse metabolite . It has the role of human xenobiotic metabolite .  It is also related to or classified as glycol  . It is also related to or classified as propane-1,2-diols .
The molecule CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H](COP(=O)(O)O)[C@H]([C@H](CO)O)O)CO)O)O is a disaccharide phosphate consisting of 2-O-(N-acetyl-beta-D-glucosaminyl)ribitol phosphorylated at O-1 of the ribitol residue; a ligand epitope of Staphylococcus aureus. It has a role as an epitope. It derives from a 4-O-(2-acetamido-2-deoxy-beta-D-glucopyranosyl)-D-ribitol.
The molecule [H][C@@]1(C[C@H](O)NC(=N)N1)[C@]1([H])NC(=O)\C(NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CNC1=O)NC(=O)C[C@@H](N)CCCN)=C\NC(N)=O [H][C@@]1(C[C@H](O)NC(=N)N1)[C@]1([H])NC(=O)\C(NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CNC1=O)NC(=O)C[C@@H](N)CCCN)=C\NC(N)=O is A cyclic peptide antibiotic produced by the actinomycete Streptomyces puniceus, used in the treatment of tuberculosis. It has the role of antitubercular agent . It is also related to or classified as heterodetic cyclic peptide , peptide antibiotic .
The molecule NC(CCc1ncc(C[C@H](N)C(O)=O)[nH]1)C(O)=O NC(CCc1ncc(C[C@H](N)C(O)=O)[nH]1)C(O)=O is 2-(3-amino-3-carboxypropyl)-L-histidine. It has the role of Saccharomyces cerevisiae metabolite . It is also related to or classified as non-proteinogenic L-alpha-amino acid , L-histidine derivative .
The molecule OC[C@H]1OC(O)[C@H](F)[C@@H](O)[C@H]1O OC[C@H]1OC(O)[C@H](F)[C@@H](O)[C@H]1O is 2-deoxy-2-fluoro-D-galactopyranose. Its functional parent is D-galactopyranose . It is also related to or classified as 2-deoxy-2-fluorohexopyranose  .
The molecule [H][C@@]12CC[C@@]3(C)[C@]4([H])CCC5=C(C(=O)OC5)[C@@]4(C)[C@H](O)C[C@]3([H])[C@@]1(C)CC[C@H](O)C2(C)C [H][C@@]12CC[C@@]3(C)[C@]4([H])CCC5=C(C(=O)OC5)[C@@]4(C)[C@H](O)C[C@]3([H])[C@@]1(C)CC[C@H](O)C2(C)C is A scalarane sesterterpenoid isolated from the marine sponge Hyrtios erectus and has been shown to exhibit antineoplastic activity. It has the role of metabolite . It has the role of antineoplastic agent . It is also related to or classified as secondary alcohol  . It is also related to or classified as gamma-lactone  . It is also related to or classified as terpene lactone , organic heteropentacyclic compound , scalarane sesterterpenoid .
The molecule CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]1O CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]1O is an amino trisaccharide consisting of two D-galactose residues, linked alpha(1->3), and an N-acetyl-D-glucosamine residue, linked beta(1->3), at the reducing end. It is also related to or classified as glucosamine oligosaccharide , amino trisaccharide .
The molecule C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)NS(=O)(=O)O)O)OC2[C@@H]([C@H](C(=C(O2)C(=O)O)O)O)O)O is a disaccharide consisting of L-threo-hex-4-enopyranuronose and 2-(sulfoamino)-D-glucopyranose residues joined in sequence by a (1->4) glycosidic bond. It derives from a 4,5-dehydro-D-glucuronic acid.
The molecule C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)N)O)O)O is a D-galactosamine 1-phosphate in which the anomeric centre has alpha configuration. It is a tautomer of an alpha-D-galactosamine 1-phosphate zwitterion.
The molecule OC[C@H]1O[C@H](O[C@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2OC[C@H]2OC(O)[C@@H](O)[C@@H](O)[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](O)[C@@H](CO)O[C@@H]2OC[C@H]2OC(O)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O is A linear trisaccharide consisting of three D-mannose units joined by alpha-(1->2)- and alpha-(1->6)-linkages. It is also related to or classified as mannotriose .
The molecule CCCC(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@@H]([C@@H](CN(C2=O)C)OC)C)C(=O)CC3CC3)C CCCC(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@@H]([C@@H](CN(C2=O)C)OC)C)C(=O)CC3CC3)C is N-[(4S,7S,8S)-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]butanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule [H][C@@]12C[C@@H](CCC(COO)=C1CC[C@@H]2C)C(C)=C [H][C@@]12C[C@@H](CCC(COO)=C1CC[C@@H]2C)C(C)=C is A guaiane sesquiterpenoid that is guaia-1(10),11-diene substituted by a alpha-hydroperoxy group at position 15. Isolated from Pogostemon cablin, it exhibits trypanocidal activity. It has the role of metabolite . It has the role of trypanocidal drug . It is also related to or classified as guaiane sesquiterpenoid .
The molecule CCCCCCCCc1ccc(CCC([NH3+])(CO)CO)cc1 CCCCCCCCc1ccc(CCC([NH3+])(CO)CO)cc1 is an organic cation that is the conjugate acid of fingolimod. It is a conjugate acid of fingolimod . It is also related to or classified as organic cation , ammonium ion derivative .
The molecule COC1=C(C=C(C=C1)C2=C(C=CC(=C2)CC=C)O)/C=C/C=O is a lignan that consists of cinnamaldehyde substituted by a methoxy group at position 2 and a 4-allylphenolic group at position 5. Isolated from Magnolia obovata, it exhibits antineoplastic activity. It has a role as a metabolite and an antineoplastic agent. It is a lignan, a monomethoxybenzene, an enal and a member of hydroxybiphenyls. It derives from an (E)-cinnamaldehyde.
The molecule CC(=O)N[C@@H](CCC=O)C(O)=O CC(=O)N[C@@H](CCC=O)C(O)=O is A glutamic semialdehyde that is L-glutamate 5-semialdehyde in which one of the hydrogens of the amino group has been replaced by an acetyl group. Its functional parent is L-glutamic 5-semialdehyde . It is a conjugate acid of 2-acetamido-5-oxopentanoate . It is also related to or classified as acetamides , glutamic semialdehyde .
The molecule CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCC/C=C\\CCCCCCCC is a 3-sn-phosphatidyl-L-serine compound with a palmitoyl group at the 1-position and an oleoyl group at the 2-position. It derives from a glycerol.
The molecule CC(O)COP(O)(O)=O CC(O)COP(O)(O)=O is A hydroxyalkyl phosphate consisting of propane-1,2-diol having a phosphate group at the 1-position. Its functional parent is propane-1,2-diol . It is a conjugate acid of 2-hydroxypropyl phosphate(2-) . It is also related to or classified as hydroxyalkyl phosphate .
The molecule C1CCC(CC1)C[C@@H](C(=O)N[C@@H](C[C@@H]2CCNC2=O)C=O)NC(=O)C3=CC4=CC=CC=C4N3 is a secondary carboxamide resulting from the formal condensation of the carboxy group of 1H-indole-2-carboxylic acid with the primary amino group of 3-cyclohexyl-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide. It is an inhibitor of SARS coronavirus main proteinase and inhibits SARS-CoV-2 replication in cell culture (EC50 = 0.53 muM). It has a role as an EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor and an anticoronaviral agent. It is an indolecarboxamide, a member of pyrrolidin-2-ones, an aldehyde, a secondary carboxamide and an oligopeptide.
The molecule C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)C(=O)N(C[C@H]1OC)C)C)CC4=CN=CC=C4 C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)C(=O)N(C[C@H]1OC)C)C)CC4=CN=CC=C4 is N-[(5S,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule [H][C@@]12C[C@@H](CCC(=C)[C@@]1(CC[C@@H]2C)OO)C(C)=C [H][C@@]12C[C@@H](CCC(=C)[C@@]1(CC[C@@H]2C)OO)C(C)=C is A guaiane sesquiterpenoid that is guaia-10(15),11-diene substituted by a alpha-hydroperoxy group at position 1. Isolated from Pogostemon cablin, it exhibits trypanocidal activity. It has the role of metabolite . It has the role of trypanocidal drug . It is also related to or classified as peroxol  . It is also related to or classified as guaiane sesquiterpenoid .
The molecule Cl.CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1 Cl.CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1 is the hydrochloride salt of 2-amino-2-[2-(4-octylphenyl) ethyl]-1,3-propanediol (fingolimod). It has the role of immunosuppressive agent . It has the role of prodrug . It has the role of sphingosine-1-phosphate receptor agonist . It is also related to or classified as hydrochloride .
The molecule CCCCCOCCOC(=O)C is an acetate ester that is ethyl acetate substituted by a pentyloxy group at position 2. It has a role as a metabolite. It is an acetate ester and an ether.
The molecule C/C(=C\\C=C\\C(=C\\1/C(=O)C[C@@H]2[C@@]1(CC[C@@H]3[C@@]2(CC[C@H]([C@]3(C)C(=O)[O-])OC(=O)C)C)C)\\C)/C=C/C(C(C)(C)O)OC is an oxo monocarboxylic acid anion obtained by the deprotonation of the carboxylic group of globostellatic acid C. It is a conjugate base of a globostellatic acid C.