anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C[C@@H](O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC1=O)[C@@H](C)O C[C@@H](O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC1=O)[C@@H](C)O is Brachystemin I. It has the role of metabolite . It is also related to or classified as cyclic peptide .
The molecule C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)S(=O)(=O)C3=CC=C(C=C3)F C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)S(=O)(=O)C3=CC=C(C=C3)F is N-[[(3R,9S,10S)-16-(dimethylamino)-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-fluoro-N-methylbenzenesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C([C@@H]([C@@H](C(=O)CO)O)O)OP(=O)([O-])[O-] is a doubly-charged organophosphate oxoanion arising from deprotonation of the phosphate OH groups of L-ribulose 5-phosphate; major species at pH 7.3. It has a role as a fundamental metabolite. It is a conjugate base of a L-ribulose 5-phosphate.
The molecule C[C@@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)C)C(=O)N(C[C@@H]1OC)C)C C[C@@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)C)C(=O)N(C[C@@H]1OC)C)C is N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-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]1CN[C@@H](COC2=C(C=C(C=C2)NC(=O)C)C(=O)N(C[C@@H]1OC)C)C C[C@H]1CN[C@@H](COC2=C(C=C(C=C2)NC(=O)C)C(=O)N(C[C@@H]1OC)C)C is N-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-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 C1=CC=C(C=C1)CN2C(=O)N(SC2=O)C3=CC=CC4=CC=CC=C43 is a member of the class of thiadiazolidines that is 1,2,4-thiadiazolidine-3,5-dione which is substituted by a naphthalen-1-yl group at position 2 and by a benzyl group at position 4. It is a non-ATP competitive inhibitor of glycogen synthase kinase 3beta (GSK3beta) and has neuroprotective effects. Currently under clinical investigation for the treatment of Alzheimer's disease and progressive supranuclear palsy. It has a role as an EC 2.7.11.26 (tau-protein kinase) inhibitor, a neuroprotective agent, an anti-inflammatory agent and an apoptosis inducer. It is a member of naphthalenes, a member of benzenes and a thiadiazolidine.
The molecule CC(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)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C(O)CCCC(O)=O CC(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)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C(O)CCCC(O)=O is A hydroxyacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the 1-carboxy group of 2-hydroxyadipic acid. Its functional parent is adipoyl-CoA . It is also related to or classified as hydroxyacyl-CoA .
The molecule C[C@@H]([C@H]([C@@H](CC=O)N)O)O is a trideoxyhexose carrying a single amino substituent at position 3 and deoxygenated at positions 2, 3 and 6. It is an amino monosaccharide and a trideoxyhexose derivative.
The molecule CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)CNC1=O CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)CNC1=O is Brachystemin H. It has the role of metabolite . It is also related to or classified as cyclic peptide .
The molecule CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](CCCCCCCCCCCC(C)C)O is a N-acyl-15-methylhexadecasphinganine in which the acyl group has 26 carbons and 0 double bonds. It is a N-acyl-15-methylhexadecasphinganine and a N-(very-long-chain fatty acyl)-sphingoid base.
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)C(=O)COC C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3CCC3)C(=O)N(C[C@@H]1OC)C)C)C(=O)COC is N-[(4R,7S,8R)-8-methoxy-5-(2-methoxy-1-oxoethyl)-4,7,10-trimethyl-11-oxo-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 Cl[C@@H]1C=C[C@@H](O)[C@H]2[C@]1(O)C[C@]34S[C@@H](C5=C(O)C(OC)=C(OC)C=C5)[C@H](C(N3O2)=O)N(C4=O)C Cl[C@@H]1C=C[C@@H](O)[C@H]2[C@]1(O)C[C@]34S[C@@H](C5=C(O)C(OC)=C(OC)C=C5)[C@H](C(N3O2)=O)N(C4=O)C is Penigainamide C. It is also related to or classified as organonitrogen heterocyclic compound , organosulfur heterocyclic compound .
The molecule C(/C=[N+](/O)\\[O-])C(=O)[O-] is a monocarboxylic acid anion resulting from the deprotonation of the carboxy group of 3-aci-nitropropanoic acid. It is a conjugate base of a 3-aci-nitropropanoic acid. It is a tautomer of a 3-nitropropanoate.
The molecule C[C@@H](O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](NC1=O)[C@@H](C)O C[C@@H](O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](NC1=O)[C@@H](C)O is Brachystemin G. It has the role of metabolite . It is also related to or classified as cyclic peptide .
The molecule C(CC#N)[NH3+] C(CC#N)[NH3+] is A primary ammonium ion obtained by protonation of the amino function of beta-aminopropionitrile. It is a conjugate acid of beta-aminopropionitrile . It is also related to or classified as primary ammonium ion  .
The molecule CCN1CC(C(C1=O)(C2=CC=CC=C2)C3=CC=CC=C3)CC[NH+]4CCOCC4.O.[Cl-] is the monohydrate form of doxapram hydrochloride. A central and respiratory stimulant with a brief duration of action, it is used as a temporary treatment of acute respiratory failure, particularly when superimposed on chronic obstructive pulmonary disease, and of postoperative respiratory depression. It has also been used for treatment of postoperative shivering. It has a role as a central nervous system stimulant. It contains a doxapram hydrochloride (anhydrous).
The molecule [O-]C(=O)C1=NCCC1 [O-]C(=O)C1=NCCC1 is the anion resulting from the removal of a proton from the carboxylic acid group of 1-pyrroline-2-carboxylic acid. It has the role of human metabolite . It is also related to or classified as 1-pyrrolinecarboxylate .
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,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]ethanesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C1C(=O)[C@H]([C@H]([C@@H]([C@@]1(CO)O)O)O)O is a member of the class of cyclitols that is valiolone in which the stererocentres at positions 2 and 5 have been inverted. It has a role as a bacterial metabolite. It is a cyclitol and an alicyclic ketone.
The molecule CC(C)C[C@@H]1NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@@H](C)O)C(C)C CC(C)C[C@@H]1NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@@H](C)O)C(C)C is Brachystemin F. It has the role of metabolite . It is also related to or classified as cyclic peptide .
The molecule C1[C@H]([C@@H]([C@H](C(O1)OC[C@@H]2[C@@H]([C@@H]([C@H](C(O2)OC3=C(OC4=CC=CC=C4C3=O)C5=CC=CC=C5)O)O)O)O)O)O is a glycosyloxyflavone that consists of flavonol attached to a D-xylosyl-D-galactosyl residue at position 3 via a glycosidic linkage. It is a disaccharide derivative, a glycosyloxyflavone and a xylosylgalactoside. It derives from a flavonol.
The molecule CC\C=C\CC(O)=O CC\C=C\CC(O)=O is A 3-hexenoic acid having the trans configuration. It is also related to or classified as 3-hexenoic acid  .
The molecule OC([C@H](CCC(N[C@H](C(NCC(O)=O)=O)CS[C@H]1[C@@]2([C@@]([C@@]3([C@]4([C@](O2)([C@H](O)C3)[H])OC4)C)([C@@H](C(=O)[C@@H]1C)O)CO)[H])=O)N)=O OC([C@H](CCC(N[C@H](C(NCC(O)=O)=O)CS[C@H]1[C@@]2([C@@]([C@@]3([C@]4([C@](O2)([C@H](O)C3)[H])OC4)C)([C@@H](C(=O)[C@@H]1C)O)CO)[H])=O)N)=O is DON-10-glutathione. Its functional parent is deoxynivalenol . Its functional parent is glutathione . It is also related to or classified as trichothecene  .
The molecule O[C@@H]1[C@@H](O)[C@H](O[C@@H]([C@H]1O)C(O)=O)OP(O)(O)=O O[C@@H]1[C@@H](O)[C@H](O[C@@H]([C@H]1O)C(O)=O)OP(O)(O)=O is the 1-O-phospho derivative of alpha-D-glucuronic acid. Its functional parent is alpha-D-glucuronic acid . It is a conjugate acid of 1-phosphonato-alpha-D-glucuronate(3-) .  It is also related to or classified as D-glucuronic acid 1-phosphate  . It is also related to or classified as glucuronic acids .
The molecule C[C@@H](C(=O)[O-])OP(=O)(O)[O-] is the dianion obtained by removal of two acidic protons from 2-phospho-L-lactic acid. It is a carboxylic acid dianion and an organophosphate oxoanion. It is a conjugate base of a 2-phospho-L-lactic acid.
The molecule [H][C@]12OC(=O)[C@@H](C)[C@H](C)c3ncccc3C(=O)OC[C@]3(C)O[C@@]4([C@H](OC(C)=O)[C@@]3([H])[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@]4(COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O)[C@@]2(C)O [H][C@]12OC(=O)[C@@H](C)[C@H](C)c3ncccc3C(=O)OC[C@]3(C)O[C@@]4([C@H](OC(C)=O)[C@@]3([H])[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@]4(COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O)[C@@]2(C)O is Euonymine. It has the role of metabolite . It is also related to or classified as terpene lactone .
The molecule CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCC(=O)NCCOP(=O)([O-])OC[C@@H](CO)O is an N-acyl-sn-glycero-3-phosphoethanolamine(1-) in which the N-acyl group is specified as arachidonoyl (5Z,8Z,11Z,14Z-icosatetraenoyl); major species at pH 7.3. It is a conjugate base of a N-arachidonoyl-sn-glycero-3-phosphoethanolamine.
The molecule [Na+].[Na+].[Na+].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O [Na+].[Na+].[Na+].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O is the trisodium salt of citric acid. It has the role of flavouring agent . It has the role of anticoagulant . It is also related to or classified as organic sodium salt .
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,9S)-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 C([C@@H]1[C@H]([C@H](C(O1)OP(=O)(O)O)O)O)OP(=O)(O)O is a ribose bisphosphate that consists of D-ribose having two monophosphate groups at the 1- and 5-positions. It derives from a D-ribose. It is a conjugate acid of a D-ribose 1,5-bisphosphate(4-).
The molecule [H][C@]12OC(=O)[C@@H](C)[C@H](C)c3ncccc3C(=O)OC[C@]3(C)O[C@@]4([C@H](OC(C)=O)[C@@]3([H])[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@]4(COC(C)=O)[C@@H](OC(=O)c3ccccc3)[C@H]1OC(C)=O)[C@@]2(C)O [H][C@]12OC(=O)[C@@H](C)[C@H](C)c3ncccc3C(=O)OC[C@]3(C)O[C@@]4([C@H](OC(C)=O)[C@@]3([H])[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@]4(COC(C)=O)[C@@H](OC(=O)c3ccccc3)[C@H]1OC(C)=O)[C@@]2(C)O is 7-epi-mayteine. It has the role of metabolite . It is also related to or classified as terpene lactone .
The molecule [NH3+][C@@H](CCC(=O)N[C@@H](CS[Se]SC[C@H](NC(=O)CC[C@H]([NH3+])C([O-])=O)C(=O)NCC([O-])=O)C(=O)NCC([O-])=O)C([O-])=O [NH3+][C@@H](CCC(=O)N[C@@H](CS[Se]SC[C@H](NC(=O)CC[C@H]([NH3+])C([O-])=O)C(=O)NCC([O-])=O)C(=O)NCC([O-])=O)C([O-])=O is A carboxylic acid anion resulting from the deprotonation of all four carboxy groups and the protonation of both of the primary amino groups of selenodiglutathione. The major species at pH 7.3. It is also related to or classified as carboxylic acid anion  .
The molecule CCCCCCCCCCCCCCCC(=O)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 phosphatidylethanolamine 38:6 zwitterion in which the acyl substituents at positions 1 and 2 are specified as hexadecanoyl and (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl respectively. It is a tautomer of a 1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine.
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=CC5C4O5)O is an acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of 2,3-epoxy-2,3-dihydrobenzoyl-CoA; major species at pH 7.3. It is a conjugate base of a 2,3-epoxy-2,3-dihydrobenzoyl-CoA.
The molecule C[C@@H](C(=O)CCC(C)C)[C@]1([C@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O)O)O)O)C)C)O[C@H]8[C@@H]([C@H]([C@H](CO8)O)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)OC(=O)C1=CC(=C(C=C1)OC)OC)O)OC(=O)C)O is a steroid saponin isolated from Ornithogalum thyrsoides and has been shown to exhibit cytotoxic activity. It has a role as a metabolite and an antineoplastic agent. It is a beta-D-glucoside, a 17-hydroxy steroid, an acetate ester, a benzoate ester, a cholestanoid and a steroid saponin.
The molecule [H][C@]12OC(=O)[C@@H](C)[C@H](C)c3ncccc3C(=O)OC[C@]3(C)O[C@@]4([C@H](OC(C)=O)[C@@]3([H])[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@]4(COC(C)=O)[C@@H](OC(=O)c3ccccc3)[C@H]1OC(C)=O)[C@@]2(C)O [H][C@]12OC(=O)[C@@H](C)[C@H](C)c3ncccc3C(=O)OC[C@]3(C)O[C@@]4([C@H](OC(C)=O)[C@@]3([H])[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@]4(COC(C)=O)[C@@H](OC(=O)c3ccccc3)[C@H]1OC(C)=O)[C@@]2(C)O is Mayteine. It has the role of metabolite . It is also related to or classified as terpene lactone .
The molecule OC1CN=C(C1)C(O)=O OC1CN=C(C1)C(O)=O is A 1-pyrrolinecarboxylic acid having a hydroxy substituent at the 4-position. It has the role of mouse metabolite . It is a conjugate acid of 4-hydroxy-1-pyrroline-2-carboxylate . It is also related to or classified as 1-pyrrolinecarboxylic acid , dehydroamino acid .
The molecule C1C(CSS1)C(=O)O is a sulfur-containing carboxylic acid, a dithiolanecarboxylic acid and a member of dithiolanes. It is a conjugate acid of an asparagusate. It derives from a hydride of a 1,2-dithiolane.
The molecule S(C[C@H](NC(CC[C@@H](C(=O)O)N)=O)C(O)=O)[C@H]1[C@@]2([C@@]([C@@]3([C@]4([C@](O2)([C@H](O)C3)[H])OC4)C)([C@@H](C(=O)C1C)O)CO)[H] S(C[C@H](NC(CC[C@@H](C(=O)O)N)=O)C(O)=O)[C@H]1[C@@]2([C@@]([C@@]3([C@]4([C@](O2)([C@H](O)C3)[H])OC4)C)([C@@H](C(=O)C1C)O)CO)[H] is DON-10-gamma-glutamylcysteine. Its functional parent is deoxynivalenol . Its functional parent is L-gamma-glutamyl-L-cysteine . It is also related to or classified as trichothecene  .
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)CO)O)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)O is an L-Fucp-(1->2)-[D-Galp-(1->3)]-D-Galp in which disubstituted D-galactosyl residue has beta- configuration at the anomeric centre, while the L-fucosyl group at position 2 and the D-galactosyl group at position 3 have alpha- and beta- configuration, respectively.
The molecule CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)N)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC6=CN=CN6)N)C(=O)O is a lipopeptide that is an analogue of human GLP-1 in which the lysine residue at position 27 is replaced by arginine and a hexadecanoyl group attached to the remaining lysine via a glutamic acid spacer. Used as an adjunct to diet and exercise to improve glycemic control in adults with type 2 diabetes mellitus. It has a role as a glucagon-like peptide-1 receptor agonist and a neuroprotective agent. It is a lipopeptide and a polypeptide.
The molecule [H][C@]12OC(=O)[C@@H](C)[C@H](C)c3ncccc3C(=O)OC[C@]3(C)O[C@@]4([C@H](OC(C)=O)[C@@]3([H])[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@]4(COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O)[C@@]2(C)O [H][C@]12OC(=O)[C@@H](C)[C@H](C)c3ncccc3C(=O)OC[C@]3(C)O[C@@]4([C@H](OC(C)=O)[C@@]3([H])[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@]4(COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O)[C@@]2(C)O is 7-epi-Euonymine. It has the role of metabolite . It is also related to or classified as terpene lactone .
The molecule C[C@H](CCCC(C)C)[C@H]1CC[C@@]2([C@@]1(CC[C@@]3([C@H]2CCC4[C@H]3CCCC4(C)C)C)C)C is a triterpene that is an isomer of lanostane obtained by migration of the methyl group from 10 to the 9beta position.
The molecule CC1=CC(=O)C2=C(C=CC=C2)C1=O CC1=CC(=O)C2=C(C=CC=C2)C1=O is A member of the class of 1,4-naphthoquinones that is 1,4-naphthoquinone which is substituted at position 2 by a methyl group. It is used as a nutritional supplement and for the treatment of hypoprothrombinemia. It has the role of EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor . It has the role of antineoplastic agent . It has the role of angiogenesis inhibitor . It has the role of nutraceutical . It has the role of human urinary metabolite . It is also related to or classified as vitamin K , 1,4-naphthoquinones .
The molecule C[C@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COC(=O)C)OC(=O)C)C)O)F)C)F is the 17,21-diacetate derivative of diflorasone. It is used topically for its anti-inflammatory and antipruritic properties in the treatment of various skin disorders. It has a role as an anti-inflammatory drug and an antipruritic drug. It is an 11beta-hydroxy steroid, a glucocorticoid, a 20-oxo steroid, a fluorinated steroid, an acetate ester and a 3-oxo-Delta(1),Delta(4)-steroid. It derives from a diflorasone and an acetic acid. It derives from a hydride of a pregnane.
The molecule [H][C@]12OC(=O)[C@@H](C)[C@H](C)c3ncccc3C(=O)OC[C@]3(C)O[C@@]4([C@H](OC(=O)c5ccccc5)[C@@]3([H])[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@]4(COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O)[C@@]2(C)O [H][C@]12OC(=O)[C@@H](C)[C@H](C)c3ncccc3C(=O)OC[C@]3(C)O[C@@]4([C@H](OC(=O)c5ccccc5)[C@@]3([H])[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@]4(COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O)[C@@]2(C)O is 7-epi-5-O-benzoyl-5-deacetylperitassine A. It has the role of metabolite . It is also related to or classified as terpene lactone .
The molecule CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)\C(=N\OCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)\C(=N\OCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O is A minor geometrical isomer of roxithromycin. It is also related to or classified as roxithromycin  .
The molecule C1=CC(=C(C=C1C(=O)NCCCCCC(=O)O)[N+](=O)[O-])O is a monocarboxylic acid amide having an N-(5-carboxypentyl) substituent and a C-(4-hydroxy-3-nitrophenyl) substituent. It is a monocarboxylic acid, a member of 2-nitrophenols and a N-acyl-amino acid. It derives from a 6-aminohexanoic acid.
The molecule [H][C@]12[C@H](O)[C@]3(O)C[C@H](O)C(C)=C([C@@H](O)C(=O)[C@]1(C)[C@@H](O)C[C@H]1OC[C@@]21OC(C)=O)C3(C)C [H][C@]12[C@H](O)[C@]3(O)C[C@H](O)C(C)=C([C@@H](O)C(=O)[C@]1(C)[C@@H](O)C[C@H]1OC[C@@]21OC(C)=O)C3(C)C is 10-deacetyl-2-debenzoylbaccatin III. Its functional parent is baccatin III . It is also related to or classified as secondary alpha-hydroxy ketone  . It is also related to or classified as tetracyclic diterpenoid .
The molecule S1[C@]23N(O[C@H]4[C@H](O)C=C[C@H]5[C@]4(C2)O5)C(=O)[C@@H]([C@@H]1C6=C(O)C(OC)=C(OC)C=C6)N(C3=O)C S1[C@]23N(O[C@H]4[C@H](O)C=C[C@H]5[C@]4(C2)O5)C(=O)[C@@H]([C@@H]1C6=C(O)C(OC)=C(OC)C=C6)N(C3=O)C is Penigainamide B. It is also related to or classified as organonitrogen heterocyclic compound , organosulfur heterocyclic compound .
The molecule CC(=O)N[C@@H](CC(=O)O)C(=O)O is an N-acyl-L-aspartic acid in which the acyl group is specified as acetyl. It has a role as a nutraceutical, an antioxidant, a human metabolite, a mouse metabolite and a rat metabolite. It is a N-acetyl-L-amino acid and a N-acyl-L-aspartic acid. It is a conjugate acid of a N-acetyl-L-aspartate(2-).
The molecule [H][C@]12OC(=O)[C@@H](C)[C@H](C)c3ncccc3C(=O)OC[C@]3(C)O[C@@]4([C@H](OC(C)=O)[C@@]3([H])[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@]4(COC(C)=O)[C@@H](OC(=O)c3ccccc3)[C@H]1OC(=O)c1ccccc1)[C@@]2(C)O [H][C@]12OC(=O)[C@@H](C)[C@H](C)c3ncccc3C(=O)OC[C@]3(C)O[C@@]4([C@H](OC(C)=O)[C@@]3([H])[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@]4(COC(C)=O)[C@@H](OC(=O)c3ccccc3)[C@H]1OC(=O)c1ccccc1)[C@@]2(C)O is 2-O-benzoyl-2-deacetylmayteine. It has the role of metabolite . It is also related to or classified as terpene lactone .
The molecule O1[C@H]([C@H](O)[C@@H](O)[C@@H]1O[C@@H]([C@@H]2OC(O)[C@H](O)[C@H]2O)CO)[C@H](O[C@@H]3O[C@H]([C@H](O)[C@H]3O)[C@H](O)CO)CO O1[C@H]([C@H](O)[C@@H](O)[C@@H]1O[C@@H]([C@@H]2OC(O)[C@H](O)[C@H]2O)CO)[C@H](O[C@@H]3O[C@H]([C@H](O)[C@H]3O)[C@H](O)CO)CO is A galactotriose consisting of two beta-D-galactofuranose residues and a D-galactofuranose residue joined in sequence by (1->5) glycosidic bonds. It is also related to or classified as galactotriose .
The molecule CC1=C(C2=C(C(=C1OC)C)OC(=CC2=O)C3=CC=C(C=C3)O)O is a monomethoxyflavone that is flavone substituted by a methoxy group at position 7, hydroxy groups at positions 5 and 4' and methyl groups at positions 6 and 8. It has been isolated from Hydrastis canadensis and Eucalyptus species. It has a role as a plant metabolite. It is a dihydroxyflavone and a monomethoxyflavone. It derives from a flavone.
The molecule C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=NO3)C(=O)N(C[C@@H]1OC)C)C)C(=O)C4CCC4 C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=NO3)C(=O)N(C[C@@H]1OC)C)C)C(=O)C4CCC4 is N-[(5R,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]-5-isoxazolecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O is an S-acyl-4'-phosphopantetheine obtained by formal condensation of the thiol group of D-pantetheine 4'-phosphate with the carboxy group of octanoic acid. It has a role as a mouse metabolite. It derives from an octanoic acid. It is a conjugate acid of a S-octanoyl-4'-phosphopantetheine(2-).
The molecule CCCNC(=O)N1C[C@H]([C@H](CN(C(=O)C2=C(C=C(C=C2)NC(=O)CC)OC[C@@H]1C)C)OC)C CCCNC(=O)N1C[C@H]([C@H](CN(C(=O)C2=C(C=C(C=C2)NC(=O)CC)OC[C@@H]1C)C)OC)C is (5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-14-(1-oxopropylamino)-N-propyl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC(=O)CC[C@H](CO)C1=C(C=C2C(=C1[O-])C(=O)C3=C(C2=O)C=C(C=C3O)O)[O-] is an organic anion obtained by selective deprotonation of the 2- and 7-hydroxy groups of (2S)-versicolorone. It is a conjugate base of a (2S)-versicolorone(1-).
The molecule [H][C@]12OC(=O)[C@@H](C)[C@H](C)c3ncccc3C(=O)OC[C@]3(C)O[C@@]4([C@H](O)[C@@]3([H])[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@]4(COC(C)=O)[C@@H](OC(=O)c3ccccc3)[C@H]1OC(C)=O)[C@@]2(C)O [H][C@]12OC(=O)[C@@H](C)[C@H](C)c3ncccc3C(=O)OC[C@]3(C)O[C@@]4([C@H](O)[C@@]3([H])[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@]4(COC(C)=O)[C@@H](OC(=O)c3ccccc3)[C@H]1OC(C)=O)[C@@]2(C)O is 7-epi-euojaponine A. It has the role of metabolite . It is also related to or classified as terpene lactone .