anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\\CCCCCCCC)COP(=O)([O-])OCC[NH3+] is a phosphatidylethanolamine 34:1 obtained by transfer of a proton from the amino to the phosphate group of 1-oleoyl-2-palmitoyl-sn-glycero-3-phosphoethanolamine; major species at pH 7.3. It is a tautomer of a 1-oleoyl-2-palmitoyl-sn-glycero-3-phosphoethanolamine.
The molecule C1CN(CCN1CCC(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3)CC4=CC=CC=C4 C1CN(CCN1CCC(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3)CC4=CC=CC=C4 is N-(4-phenylmethoxyphenyl)-3-[4-(phenylmethyl)-1-piperazinyl]propanamide. Its functional parent is beta-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
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]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]1O is an amino disaccharide consisting of a beta-D-glucopyranose residue and a 2-acetamido-2-deoxy-D-glucopyranose residue joined in sequence by a (1->3) glycosidic bond. Its functional parent is beta-D-glucose . Its functional parent is N-acetyl-D-glucosamine . It is also related to or classified as acetamides , amino disaccharide .
The molecule CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@]3(C)C(=CC(=O)[C@@]3(O)c3ccoc3)[C@]12C CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@]3(C)C(=CC(=O)[C@@]3(O)c3ccoc3)[C@]12C is A limonoid that is azadiradione substituted by a hydroxy group at position 17. It has been isolated from Azadirachta indica. It has the role of enzyme inhibitor . It has the role of metabolite . It has the role of plant metabolite . Its functional parent is azadiradione . It is also related to or classified as tertiary alpha-hydroxy ketone  .     It is also related to or classified as acetate ester  . It is also related to or classified as tertiary alcohol  . It is also related to or classified as furans , tetracyclic triterpenoid , cyclic terpene ketone , limonoid .
The molecule COc1cc(CCC(=O)n2cccc2)cc(OC)c1OC COc1cc(CCC(=O)n2cccc2)cc(OC)c1OC is 3-(3,4,5-timethoxyphenyl)propanoylpyrrole. It has the role of metabolite . It is also related to or classified as amine  .
The molecule C12(C(C(C(C(C1(F)F)(F)F)(F)F)(F)F)(C(C(C(C2(F)F)(F)F)(F)F)(F)F)F)F is a fluorocarbon that is decalin in which every hydrogen is replaced by fluorine. Capable of dissolving large quantities of oxygen, it has been used as the basis of an artificial blood substitute. It has a role as a blood substitute and a solvent. It derives from a hydride of a decalin.
The molecule Cc1c(O)c(C)c2O[C@@H](CC(=O)c2c1O)c1ccc(O)cc1 Cc1c(O)c(C)c2O[C@@H](CC(=O)c2c1O)c1ccc(O)cc1 is farrerol. It has the role of metabolite . It is also related to or classified as organic molecular entity .
The molecule [H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])C[C@H](O)C2=CC(=O)C=C[C@]12C [H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])C[C@H](O)C2=CC(=O)C=C[C@]12C is A glucocorticoid that is prednisone carrying a hydroxy group at the 6alpha position. It is a metabolite of prednisone found in human urine. It has the role of human urinary metabolite . Its functional parent is prednisone . It is also related to or classified as primary alpha-hydroxy ketone  . It is also related to or classified as tertiary alpha-hydroxy ketone  .      It is also related to or classified as 11-oxo steroid  . It is also related to or classified as C21-steroid  . It is also related to or classified as 3-oxo-Delta(1),Delta(4)-steroid  . It is also related to or classified as glucocorticoid , 17alpha-hydroxy steroid , 21-hydroxy steroid , 6alpha-hydroxy steroid , 20-oxo steroid .
The molecule CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](C(=O)C(O)=C3[C@]12C)c1ccoc1 CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](C(=O)C(O)=C3[C@]12C)c1ccoc1 is A limonoid that is azadiradione substituted by a hydroxy group at position 15. It has been isolated from Azadirachta indica. It has the role of plant metabolite . Its functional parent is azadiradione .   It is also related to or classified as enol  .   It is also related to or classified as acetate ester  . It is also related to or classified as furans , tetracyclic triterpenoid , cyclic terpene ketone , limonoid .
The molecule COc1cc(CCC(=O)n2cccc2)cc(OC)c1O COc1cc(CCC(=O)n2cccc2)cc(OC)c1O is 3-(4-hydroxy-3,5-dimethoxyphenyl)propanoylpyrrole. It has the role of metabolite . It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule O=C1N[C@H](C(=O)N[C@H]1CC=2C3=C(C(=C(CC=C(C)C)C=C3)CC=C(C)C)NC2C(C=C)(C)C)C O=C1N[C@H](C(=O)N[C@H]1CC=2C3=C(C(=C(CC=C(C)C)C=C3)CC=C(C)C)NC2C(C=C)(C)C)C is Arestrictin B. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C[C@@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)N is a gamma-glutamylalanine obtained by formal condensation of the gamma-carboxy group of L-glutamic acid with the amino group of L-alanine. It has a role as a Saccharomyces cerevisiae metabolite and a plant metabolite. It is a conjugate acid of a gamma-Glu-Ala(1-).
The molecule C1[C@@H]([C@H]([C@@H]([C@H]([C@H]1N)O)O)O)COP(=O)(O)O is a cyclitol phosphate that is validamine carrying a single monophosphate substituent at position 7. It is an amino cyclitol and a cyclitol phosphate. It derives from a validamine. It is a conjugate acid of a validamine 7-phosphate(1-).
The molecule C[C@@]12CC[C@@H]3[C@@]4(C)C=CC(=O)C(C)(C)[C@@H]4C[C@@H](OC(=O)c4ccccc4)[C@@]3(C)C1=CC(=O)[C@H]2c1ccoc1 C[C@@]12CC[C@@H]3[C@@]4(C)C=CC(=O)C(C)(C)[C@@H]4C[C@@H](OC(=O)c4ccccc4)[C@@]3(C)C1=CC(=O)[C@H]2c1ccoc1 is A  limonoid that is the benzoate ester of nimbocinol. It has been isolated from Azadirachta indica. It has the role of plant metabolite . Its functional parent is nimbocinol . It is also related to or classified as furans , tetracyclic triterpenoid , benzoate ester , cyclic terpene ketone , limonoid .
The molecule CCCCC\C=C\C=C\C(=O)NCCc1ccc(O)c(OC)c1 CCCCC\C=C\C=C\C(=O)NCCc1ccc(O)c(OC)c1 is (2E,4E)-N-[(4-hydroxy-3-methoxyphenyl)ethyl]-2,4-decadienamide. It has the role of metabolite . It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule C(C(CC(=O)[O-])[NH3+])C(=O)[O-] is a beta-amino-acid anion that is the conjugate base of isoglutamic acid, obtained by deprotonation of the carboxy groups and protonation of the amino group; major species at pH 7.3. It is a conjugate base of an isoglutamic acid.
The molecule COC(=O)C1=C(SC2=C1CCCCC2)NC(=O)COC(=O)C3=CC=CC=C3O COC(=O)C1=C(SC2=C1CCCCC2)NC(=O)COC(=O)C3=CC=CC=C3O is 2-[[2-[(2-hydroxyphenyl)-oxomethoxy]-1-oxoethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester. Its functional parent is salicylic acid . It is also related to or classified as phenols  . It is also related to or classified as benzoate ester .
The molecule [H][C@]1(CSC(=O)N1)[C@@]1(O)C[C@H]2C[C@@H](CC[C@H](C)\C=C/CC\C(C)=C/C(=O)O2)O1 [H][C@]1(CSC(=O)N1)[C@@]1(O)C[C@H]2C[C@@H](CC[C@H](C)\C=C/CC\C(C)=C/C(=O)O2)O1 is A macrolide consisting of a 14-membered bicyclic lactone attached to the rare 2-thiazolidinone moiety. It is obtained from the Red Sea sponge Latrunculia magnifica. It has the role of metabolite . It has the role of toxin . It has the role of actin polymerisation inhibitor . It is also related to or classified as macrolide  . It is also related to or classified as oxabicycloalkane , thiazolidinone , cyclic hemiketal .
The molecule C[C@@]12CC[C@@H]3[C@@]4(C)C=CC(=O)C(C)(C)[C@@H]4C[C@@H](O)[C@@]3(C)C1=CC(=O)[C@H]2c1ccoc1 C[C@@]12CC[C@@H]3[C@@]4(C)C=CC(=O)C(C)(C)[C@@H]4C[C@@H](O)[C@@]3(C)C1=CC(=O)[C@H]2c1ccoc1 is A tetracyclic triterpenoid that is 4,4,8-trimethylandrosta-1,14-diene substituted by a oxo groups at positions 3 and 16, a hydroxy group at position 7 and a furan-3-yl group at position 17. It has been isolated from Azadirachta indica. It has the role of plant metabolite . It is also related to or classified as furans , tetracyclic triterpenoid , cyclic terpene ketone , limonoid .
The molecule CCCCC\C=C\C=C\C(=O)NCCS(C)=O CCCCC\C=C\C=C\C(=O)NCCS(C)=O is (2E,4E)-N-[2-(methylsulfinyl)ethyl]-2,4-decadienamide. It has the role of metabolite . It is also related to or classified as fatty amide .
The molecule C1[C@@]2(C=3CC[C@@]4([C@](C3CC[C@]2(C([C@H]([C@@H]1OC(=O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)(C)C)[H])(C)CC[C@]6([C@]4(CC[C@@H]6C(C)C)[H])C)C)C C1[C@@]2(C=3CC[C@@]4([C@](C3CC[C@]2(C([C@H]([C@@H]1OC(=O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)(C)C)[H])(C)CC[C@]6([C@]4(CC[C@@H]6C(C)C)[H])C)C)C is 3-O-(beta-D-glucopyranosyl)-2alpha-acetoxyisomotiol. It is also related to or classified as glycoside  . It is also related to or classified as triterpenoid  .
The molecule CC(=O)CN is a propanone consisting of acetone having an amino group at the 1-position. It has a role as an Escherichia coli metabolite and a mouse metabolite. It is a methyl ketone and a member of propanones. It derives from an acetone. It is a conjugate base of an ammonioacetone.
The molecule ClC1=C(O)C(=CC(=C1)OCC2=C(O)C=CC(=C2)O)CO ClC1=C(O)C(=CC(=C1)OCC2=C(O)C=CC(=C2)O)CO is Terrestrol D. It is also related to or classified as phenols  . It is also related to or classified as aromatic ether .
The molecule NC(N)=Nc1nc(CSCCC(N)=NS(N)(=O)=O)cs1 NC(N)=Nc1nc(CSCCC(N)=NS(N)(=O)=O)cs1 is famotidine. It has the role of H2-receptor antagonist . It has the role of anti-ulcer drug . It has the role of P450 inhibitor .  It is also related to or classified as sulfonamide  . It is also related to or classified as guanidines , 1,3-thiazoles .
The molecule CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](C(=O)C=C3[C@]12C)c1ccoc1 CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](C(=O)C=C3[C@]12C)c1ccoc1 is A  tetracyclic triterpenoid that is 4,4,8-trimethylandrosta-1,14-diene substituted by oxo groups at positions 3 and 16, an acetoxy group at position 7 and a furan-3-yl group at position 17. Isolated from Azadirachta indica, it exhibits antimycobacterial and anti-inflammatory activities. It has the role of antimycobacterial drug . It has the role of anti-inflammatory agent . It has the role of plant metabolite .     It is also related to or classified as acetate ester  . It is also related to or classified as furans , tetracyclic triterpenoid , cyclic terpene ketone , limonoid .
The molecule COc1c(O)c2CCCC[C@H](O)CCc3ccc(O)c(c3)-c(c2)c1OC COc1c(O)c2CCCC[C@H](O)CCc3ccc(O)c(c3)-c(c2)c1OC is (+)-aR,11S-Myricanol. It has the role of metabolite . It is also related to or classified as biphenyls .
The molecule CN1C=C(N=C1)CCN is a primary amino compound that is the N(tele)-methyl derivative of histamine. It has a role as a human metabolite and a mouse metabolite. It is a member of imidazoles and a primary amino compound. It derives from a histamine. It is a conjugate base of a N(tele)-methylhistaminium.
The molecule CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CCN(CC2)C3=CC=CC=N3)C4=CC=CC=C4 CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CCN(CC2)C3=CC=CC=N3)C4=CC=CC=C4 is 5-cyano-2-phenyl-6-[4-(2-pyridinyl)-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester. It is also related to or classified as piperazines , pyridines .
The molecule CC[C@H](C)CCc1c(O)c(C)c(O)c2C(=O)c3cccc(O)c3C(=O)c12 CC[C@H](C)CCc1c(O)c(C)c(O)c2C(=O)c3cccc(O)c3C(=O)c12 is lupinacidin C. It has the role of metabolite . It is also related to or classified as trihydroxyanthraquinone .
The molecule CC(C)=CCOc1ccc(C(=O)\C=C\c2ccc(O)cc2)c(O)c1 CC(C)=CCOc1ccc(C(=O)\C=C\c2ccc(O)cc2)c(O)c1 is A member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at position 4 and 2' and a (3-methylbut-2-en-1-yl)oxy group at position 4'. It has been isolated from Lonchocarpus neuroscapha. It has the role of antibacterial agent . It has the role of anti-inflammatory agent . It has the role of plant metabolite . It is also related to or classified as chalcones  . It is also related to or classified as polyphenol , aromatic ether .
The molecule C1=CC(=C(C(=C1CNNC(=O)C(CO)N)O)O)O is a carbohydrazide that results from the formal condensation of the carboxy group of DL-serine with the primary amino group of 4-(hydrazinylmethyl)benzene-1,2,3-triol. An aromatic-L-amino-acid decarboxylase inhibitor (DOPA decarboxylase inhibitor) that does not enter the central nervous system, it is used as its hydrochloride salt as an adjunct to levodopa in the treatment of parkinsonism. By preventing the conversion of levodopa to dopamine in the periphery, it causes an increase in the amount of levodopa reaching the central nervous system and so reduces the required dose. Benserazide has no antiparkinson actions when given alone. It has a role as an EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor, an antiparkinson drug and a dopaminergic agent. It is a carbohydrazide, a member of catechols, a primary amino compound and a primary alcohol. It is a conjugate base of a benserazide(1+).
The molecule [H]OS([S-])(=O)=O [H]OS([S-])(=O)=O is hydroxidodioxidosulfidosulfate(1-). It has the role of human metabolite . It is also related to or classified as thiosulfate(1-) .
The molecule [H][C@@]12OC(=O)[C@]3(C)O[C@]13[C@@H](OC(C)=O)[C@@]1([H])[C@](C)(O)[C@H](OC(C)=O)C=C[C@]1(C)[C@@H](O)C[C@@H](OC(=O)CCCCCCC)\C(C)=C/2 [H][C@@]12OC(=O)[C@]3(C)O[C@]13[C@@H](OC(C)=O)[C@@]1([H])[C@](C)(O)[C@H](OC(C)=O)C=C[C@]1(C)[C@@H](O)C[C@@H](OC(=O)CCCCCCC)\C(C)=C/2 is Brialalepolide C. It has the role of metabolite . It is also related to or classified as fatty acid ester  .
The molecule Cl.[H][C@@]12CCCN[C@]1([H])CN(C2)c1c(F)cc2c(c1OC)n(cc(C(O)=O)c2=O)C1CC1 Cl.[H][C@@]12CCCN[C@]1([H])CN(C2)c1c(F)cc2c(c1OC)n(cc(C(O)=O)c2=O)C1CC1 is A hydrochloride comprising equimolar amounts of moxifloxacin and hydrogen chloride. It has the role of antibacterial drug . It is also related to or classified as hydrochloride .
The molecule CC1=CC(=C(C(=C1)C)S(=O)(=O)N(CCC2=CC(=CC=C2)Br)CC3=CC=C(C=C3)C4=CC(=CC=C4)S(=O)(=O)C)C is a sulfonamide resulting from the formal condensation of the sulfonic acid group of mesitylene-2-sulphonic acid with the amino group of 2-(m-bromophenyl)ethylamine in which the nitrogen is substituted by a 4-[m-(methylsulfonyl)phenyl]benzyl group. It has a role as an antineoplastic agent, an apoptosis inducer and a liver X receptor inverse agonist. It is a sulfonamide, a sulfone and a member of bromobenzenes.
The molecule [H][C@@]12OC(=O)[C@]3(C)O[C@]13[C@@H](OC(C)=O)[C@@]1([H])[C@](C)(O)[C@H](OC(C)=O)C=C[C@]1(C)[C@@H](O)C[C@@H](OC(=O)CCCCC)\C(C)=C/2 [H][C@@]12OC(=O)[C@]3(C)O[C@]13[C@@H](OC(C)=O)[C@@]1([H])[C@](C)(O)[C@H](OC(C)=O)C=C[C@]1(C)[C@@H](O)C[C@@H](OC(=O)CCCCC)\C(C)=C/2 is Brialalepolide B. It has the role of metabolite . It is also related to or classified as hexanoate ester  .
The molecule CC(C)=CCOc1ccc(CCO)cc1 CC(C)=CCOc1ccc(CCO)cc1 is Etrogol. It has the role of metabolite . It is also related to or classified as alcohol  . It is also related to or classified as phenols  .
The molecule C(C(=O)C(=O)O)C(=O)C(=O)O is an oxodicarboxylic acid that is glutaric acid which is substituted by oxo groups at positions 2 and 4. It is an oxo dicarboxylic acid and a beta-diketone.
The molecule C1=CC=C(C=C1)C=CC(=O)NC2=CN=CC=C2 C1=CC=C(C=C1)C=CC(=O)NC2=CN=CC=C2 is 3-phenyl-N-(3-pyridinyl)-2-propenamide. It is also related to or classified as secondary carboxamide  . It is also related to or classified as cinnamamides .
The molecule [H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])C[C@@H](O)C2=CC(=O)C=C[C@]12C [H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])C[C@@H](O)C2=CC(=O)C=C[C@]12C is A glucocorticoid that is prednisone carrying a hydroxy group at the 6beta position. It is a metabolite of prednisone found in human urine. It has the role of human urinary metabolite . Its functional parent is prednisone . It is also related to or classified as primary alpha-hydroxy ketone  . It is also related to or classified as tertiary alpha-hydroxy ketone  .      It is also related to or classified as 11-oxo steroid  . It is also related to or classified as C21-steroid  . It is also related to or classified as 3-oxo-Delta(1),Delta(4)-steroid  . It is also related to or classified as glucocorticoid , 17alpha-hydroxy steroid , 21-hydroxy steroid , 6beta-hydroxy steroid , 20-oxo steroid .
The molecule CC[C@H](/C=C/C=C\\CC(/C=C/C=C/C=C\\C(CCCC(=O)[O-])O)O)O is an icosanoid anion that is the conjugate base of (6Z,8E,10E,14Z,16E,18R)-5,12,18-trihydroxyicosapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is an icosanoid anion, a hydroxy fatty acid anion, a polyunsaturated fatty acid anion and a long-chain fatty acid anion. It is a conjugate base of a (6Z,8E,10E,14Z,16E,18R)-5,12,18-trihydroxyicosapentaenoic acid.
The molecule [H][C@@]12OC(=O)[C@]3(C)O[C@]13[C@@H](OC(C)=O)[C@@]1([H])[C@](C)(O)[C@H](OC(C)=O)C=C[C@]1(C)[C@@H](O)C[C@@H](OC(C)=O)\C(C)=C/2 [H][C@@]12OC(=O)[C@]3(C)O[C@]13[C@@H](OC(C)=O)[C@@]1([H])[C@](C)(O)[C@H](OC(C)=O)C=C[C@]1(C)[C@@H](O)C[C@@H](OC(C)=O)\C(C)=C/2 is Brialalepolide A. It has the role of metabolite . It is also related to or classified as dioxanes .
The molecule CC(C)[C@H](O)COc1ccc(CC(O)=O)cc1 CC(C)[C@H](O)COc1ccc(CC(O)=O)cc1 is Stachyline D. It has the role of metabolite . It is also related to or classified as monocarboxylic acid .
The molecule CC[C@@H]([C@H](C)CCCC[C@H](C[C@H](CCCCCCCCCCCCCCCCCCC1=CC=C(C=C1)O)O)O)OC is a lipid derived from phthiocerol, having a 4-hydroxyphenyl substituent at the 29-position. It has a role as an epitope. It is a triol, a lipid and a member of phenols. It derives from a hydride of a phthiocerol A.
The molecule C1CN(C(=O)N1CC2=CC=CC=C2F)CC(=O)NCCC3=CC=C(C=C3)Cl C1CN(C(=O)N1CC2=CC=CC=C2F)CC(=O)NCCC3=CC=C(C=C3)Cl is N-[2-(4-chlorophenyl)ethyl]-2-[3-[(2-fluorophenyl)methyl]-2-oxo-1-imidazolidinyl]acetamide. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule Nc1cc(nc(N)[n+]1[O-])N1CCCCC1 Nc1cc(nc(N)[n+]1[O-])N1CCCCC1 is A pyrimidine N-oxide that is pyrimidine-2,4-diamine 3-oxide substituted by a piperidin-1-yl group at position 6. It has the role of vasodilator agent . It has the role of antihypertensive agent . It is also related to or classified as piperidines , aminopyrimidine , pyrimidine N-oxide .
The molecule [H]C(=O)N[C@@H]1[C@@H](C)O[C@@H](O[C@@H]2[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]3[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@H]4[C@H](O)[C@@H](C)O[C@@H](O[C@@H]5[C@@H](CO)O[C@@H](O[C@H]6[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O[C@@H]6CO)O[C@@H]6[C@H](O)C[C@@](O)(O[C@]6([H])[C@H](O)CO)C(O)=O)[C@@H](O[C@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6N)[C@H]5O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H]4NC(C)=O)O[C@@H]3C(N)=O)O[C@@H]2C(N)=O)[C@H](O)[C@H]1O [H]C(=O)N[C@@H]1[C@@H](C)O[C@@H](O[C@@H]2[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]3[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@H]4[C@H](O)[C@@H](C)O[C@@H](O[C@@H]5[C@@H](CO)O[C@@H](O[C@H]6[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O[C@@H]6CO)O[C@@H]6[C@H](O)C[C@@](O)(O[C@]6([H])[C@H](O)CO)C(O)=O)[C@@H](O[C@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6N)[C@H]5O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H]4NC(C)=O)O[C@@H]3C(N)=O)O[C@@H]2C(N)=O)[C@H](O)[C@H]1O is an amino oligosaccharide that is a branched decasaccharide derivative comprised of a mannose residue to which is linked an N-acetylgalactosaminyl residue at O-2, a glucosyl residue at O-3 and a beta-D-QuiN4Fm-(1->4)-alpha-D-GalNAcAN-(1->4)-alpha-D-GalNAcAN-(1->3)-beta-D-QuiNAc tetrasaccharide chain at O-4, all linked to an [alpha-D-Glc-(1->2)]-alpha-D-Man-(1->5)-alpha-Kdo branched trisaccharide unit. It is also related to or classified as galactosamine oligosaccharide , amino oligosaccharide .
The molecule CC(=C)[C@H](O)COc1ccc(CCO)cc1 CC(=C)[C@H](O)COc1ccc(CCO)cc1 is Stachyline C. It has the role of metabolite . It is also related to or classified as alcohol  . It is also related to or classified as phenols  .
The molecule CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)NC2=CC=C(C=C2)[C@@H]3CC[C@H](N3C4=CC=C(C=C4)C(C)(C)C)C5=CC=C(C=C5)NC(=O)[C@@H]6CCCN6C(=O)[C@H](C(C)C)NC(=O)OC)NC(=O)OC is a dipeptide derivative which is used which is in combination with dasabuvir sodium hydrate, paritaprevir and ritonavir (under the trade name Viekira Pak) for treatment of chronic hepatitis C virus genotype 1 infection as well as cirrhosis of the liver. It has a role as an antiviral drug and a hepatitis C virus nonstructural protein 5A inhibitor. It is a member of pyrrolidines, a carbamate ester, an aromatic amide and a dipeptide. It derives from a Val-Pro.
The molecule Nc1c(Cl)c(F)nc(OCC(O)=O)c1Cl Nc1c(Cl)c(F)nc(OCC(O)=O)c1Cl is an aminopyridine that is pyridin-4-amine substituted by chloro groups at positions 3 and 5, a fluoro group at position 6 and a carboxymethoxy group at position 2. It has the role of herbicide . It has the role of xenobiotic . It has the role of environmental contaminant .   It is also related to or classified as organochlorine compound  . It is also related to or classified as organofluorine compound  . It is also related to or classified as monocarboxylic acid , aromatic ether , aminopyridine .
The molecule CCCCCCCCCCCCCCCCCCOP([O-])(=O)OC1CC[N+](C)(C)CC1 CCCCCCCCCCCCCCCCCCOP([O-])(=O)OC1CC[N+](C)(C)CC1 is A phospholipid consisting of 1,1-dimethylpiperidinium-4-yl hydrogen phosphate in which the hydrogen is replaced by a stearyl (octadecyl) group. It has the role of EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor . Its functional parent is octadecan-1-ol . It is also related to or classified as phospholipid  . It is also related to or classified as ammonium betaine .
The molecule CC(=C)[C@H](O)COc1ccc(CC(O)=O)cc1 CC(=C)[C@H](O)COc1ccc(CC(O)=O)cc1 is Stachyline B. It has the role of metabolite . It is also related to or classified as monocarboxylic acid .
The molecule CC(=O)O[C@H]1C=C2[C@H]3CC4=C([C@@]2(CC[NH+]3C)C=C1OC)C(=C(C=C4)OC)O is the conjugate acid of 7-O-acetylsalutaridinol arising from protonation of the tertiary amino function. It is a conjugate acid of a 7-O-acetylsalutaridinol.
The molecule C1CN(CCC1NC2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4)CC5=CC=CC=C5 C1CN(CCC1NC2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4)CC5=CC=CC=C5 is A member of the class of quinazolines that is quinazoline which is substituted by a pyridin-3-yl group and a (1-benzylpiperidin-4-yl)nitrilo group at positions 2 and 4, respectively. It is also related to or classified as piperidines , pyridines , aromatic amine , quinazolines , secondary amino compound , tertiary amino compound .
The molecule O(C[C@H](COP([O-])(=O)OC[C@H](COC(CCCCCCCCCCCCCCCCC)=O)O)O)C(CCCCCCCCCCCCCCCCC)=O O(C[C@H](COP([O-])(=O)OC[C@H](COC(CCCCCCCCCCCCCCCCC)=O)O)O)C(CCCCCCCCCCCCCCCCC)=O is 1-stearoyl-sn-glycero-3-phospho-(3'-stearoyl-1'-sn-glycerol)(1-). Its functional parent is octadecanoate . It is also related to or classified as (R,S)-2,2'-lysobisphophatidate(1-)  .
The molecule NC1(CCC1)c1ccc(cc1)-c1nc2ccn3c(n[nH]c3=O)c2cc1-c1ccccc1 NC1(CCC1)c1ccc(cc1)-c1nc2ccn3c(n[nH]c3=O)c2cc1-c1ccccc1 is an organic heterotricyclic compound that is [1,2,4]triazolo[3,4-f][1,6]naphthyridin-3(2H)-one substituted by 4-(1-aminocyclobutyl)phenyl and phenyl groups at positions 8 and 9, respectively. It is an allosteric Akt inhibitor. It has the role of autophagy inducer . It has the role of antineoplastic agent . It has the role of EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor . It has the role of apoptosis inducer . It is also related to or classified as cyclobutanes , benzenes , organic heterotricyclic compound , primary amino compound .
The molecule CC(=C)[C@H](O)COc1ccc(CC=NO)cc1 CC(=C)[C@H](O)COc1ccc(CC=NO)cc1 is Stachyline A, (E and Z)-. It has the role of metabolite . It is also related to or classified as aldoxime  . It is also related to or classified as aromatic ether .
The molecule [C@H]1([C@H](C([C@@H]([C@@H](C1O)O)O)OP(=O)([O-])[O-])O)O is an organophosphate oxoanion that is the dianion of 1D-myo-inositol 1-phosphate. It has a role as a human metabolite and a Saccharomyces cerevisiae metabolite. It is an inositol phosphate oxoanion, a myo-inositol phosphate(2-) and a monosaccharide 1-phosphate(2-). It is a conjugate base of a 1D-myo-inositol 1-phosphate.