anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C[C@@H]1CN[C@@H](COC2=C(C=CC(=C2)NC(=O)NC3=CC=C(C=C3)OC)C(=O)N(C[C@H]1OC)C)C C[C@@H]1CN[C@@H](COC2=C(C=CC(=C2)NC(=O)NC3=CC=C(C=C3)OC)C(=O)N(C[C@H]1OC)C)C is 1-(4-methoxyphenyl)-3-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-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 O[C@H](C[C@H](O)\C=C\c1c(nc2ccccc2c1-c1ccc(F)cc1)C1CC1)CC(O)=O O[C@H](C[C@H](O)\C=C\c1c(nc2ccccc2c1-c1ccc(F)cc1)C1CC1)CC(O)=O is A dihydroxy monocarboxylic acid that is (6E)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]hept-6-enoic acid in which the two hydroxy groups are located at positions 3 and 5 (the 3R,5S-stereoisomer). Used as its calcium salt for treatment of hypercholesterolemia (elevated levels of cholesterol in the blood) on patients unable to sufficiently lower their cholesterol levels by diet and exercise. It has the role of antioxidant . It is a conjugate acid of pitavastatin(1-) .    It is also related to or classified as monofluorobenzenes  . It is also related to or classified as quinolines , dihydroxy monocarboxylic acid , cyclopropanes , statin (synthetic) .
The molecule CC1=NC=C(C(=N1)N)COP(=O)([O-])OP(=O)([O-])[O-] is trianion of 4-amino-2-methyl-5-diphosphooxymethylpyrimidine arising from deprotonation of the diphosphate OH groups; major species at pH 7.3. It has a role as a Saccharomyces cerevisiae metabolite. It is a conjugate base of a 4-amino-2-methyl-5-diphosphooxymethylpyrimidine.
The molecule [H][C@]12SCC(\C=C/c3scnc3C)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\c1csc(N)n1)C(=O)OCOC(=O)C(C)(C)C [H][C@]12SCC(\C=C/c3scnc3C)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\c1csc(N)n1)C(=O)OCOC(=O)C(C)(C)C is the pivaloyloxymethyl ester prodrug of cefditoren. It has the role of antibacterial drug . It has the role of prodrug . Its functional parent is cefditoren . It is also related to or classified as pivaloyloxymethyl ester  . It is also related to or classified as cephams  . It is also related to or classified as oxime O-ether  . It is also related to or classified as 1,3-thiazoles .
The molecule C=1(C[C@]2([C@@]3([NH+](C[C@H]4[C@@H]2O4)CC[C@]53C6=C(NC51)C=CC=C6)[H])[C@@H](C)O)C(=O)OC C=1(C[C@]2([C@@]3([NH+](C[C@H]4[C@@H]2O4)CC[C@]53C6=C(NC51)C=CC=C6)[H])[C@@H](C)O)C(=O)OC is an ammonium ion derivative resulting from the protonation of the tertiary amino group of hoerhammericine. The major species at pH 7.3. Note that the stereoconfiguration of the epoxy group is based on CHEBI:144374, and of the 19 hydroxy group on CHEBI:144372 (the same enzyme produces the two). It is a conjugate acid of hoerhammericine . It is also related to or classified as indole alkaloid cation , ammonium ion derivative .
The molecule CC1=CC(=C(N1C2=CN=CC=C2)C)/C=C/3\\C(=O)NC(=S)S3 is a member of the class of thiazolidinone that is rhodanine in which the two methylene hydrogens have been replaced by a 2,5-dimethyl-1-(pyridin-3-yl)-1H-pyrrol-3-yl]methylidene group. A TRPA1 ligand that can be reversibly photoactivated. It has a role as a TRPA1 channel agonist. It is a member of pyrroles, a member of pyridines, an olefinic compound and a thiazolidinone. It derives from a rhodanine.
The molecule CCC(CN1CCOCC1)(CN1CCOCC1)[N+]([O-])=O CCC(CN1CCOCC1)(CN1CCOCC1)[N+]([O-])=O is A C-nitro compound that is a bismorpholine consisting of two morpholinomethyl groups bonded to C-1 of 1-nitropropane. It has the role of allergen . It is also related to or classified as C-nitro compound , morpholines .
The molecule O=C1CCCCC1 O=C1CCCCC1 is A cyclic ketone that consists of cyclohexane bearing a single oxo substituent. It has the role of human xenobiotic metabolite . It is also related to or classified as cyclohexanones .
The molecule CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@H]([C@H](CN([C@H](CO2)C)C(=O)C3=CC=NC=C3)C)OC)C CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@H]([C@H](CN([C@H](CO2)C)C(=O)C3=CC=NC=C3)C)OC)C is N-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[oxo(pyridin-4-yl)methyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule O([C@@H]1[C@@H](O)[C@H](O)[C@H](O[C@H]1O)COC2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO)C3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO O([C@@H]1[C@@H](O)[C@H](O)[C@H](O[C@H]1O)COC2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO)C3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO is A glucotriose that is beta-D-glucopyranose in which the hydroxy groups at positions 2 and 6 have been converted into D-glucopyranosyl derivatives. It is also related to or classified as glucotriose , partially-defined glycan .
The molecule CC(=O)C(C1=CC=CC=C1)O is a secondary alpha-hydroxy ketone that is benzene which is substituted by a 1-hydroxy-2-oxopropyl group at position 1. It is a secondary alpha-hydroxy ketone, a member of benzenes and a methyl ketone.
The molecule OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1ccc(=O)[nH]c1=O OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1ccc(=O)[nH]c1=O is A nucleoside 3'-phosphate(2-) obtained by deprotonation of the phosphate OH groups of uridine 3'-monophosphate (UMP). It is the predominant species at physiological pH. It has the role of human metabolite . It is also related to or classified as nucleoside 3'-phosphate(2-)  .
The molecule C=1(C[C@]2([C@@]3(N(C[C@H]4[C@@H]2O4)CC[C@]53C6=C(NC51)C=CC=C6)[H])CC)C(=O)OC C=1(C[C@]2([C@@]3(N(C[C@H]4[C@@H]2O4)CC[C@]53C6=C(NC51)C=CC=C6)[H])CC)C(=O)OC is an Aspidosperma alkaloid with molecular formula C21H24N2O3 found in the roots of Madagascar periwinkle (Catharanthus roseus, formerly known as Vinca rosea). It has the role of plant metabolite .  It is also related to or classified as methyl ester  . It is also related to or classified as epoxide  . It is also related to or classified as Aspidosperma alkaloid , organic heterohexacyclic compound , monoterpenoid indole alkaloid .
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]([C@H](O2)CO)O)O[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)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[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)O)O)O)O)O)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O)O)O)O)O)O)O is a branched beta-D-glucan that consists of a beta-1,3-linked nonaglucan backbone with a beta-1,6-glucotetraose branch at the 6-O-position of the nonaglucan central sugar unit.
The molecule OC(CCCC(O)=O)C=CC=CC=CC(O)CC=CCCC(O)=O OC(CCCC(O)=O)C=CC=CC=CC(O)CC=CCCC(O)=O is 18-carboxy dinor Leukotriene B4. It is also related to or classified as long-chain fatty acid  .
The molecule CCOC1=CC=CC=C1OCCN[C@@H](C)CC2=CC(=C(C=C2)OC)S(=O)(=O)N is a 5-(2-{[2-(2-ethoxyphenoxy)ethyl]amino}propyl)-2-methoxybenzenesulfonamide that has (S)-configuration. The enantiomer of tamsulosin. It is a conjugate base of an ent-tamsulosin(1+). It is an enantiomer of a tamsulosin.
The molecule O=C(O)/C=C/C=C/[C@H]1C(=C[C@H](OC)[C@@H]2[C@@H]1[C@@H](C[C@@H](C2)C)C)C O=C(O)/C=C/C=C/[C@H]1C(=C[C@H](OC)[C@@H]2[C@@H]1[C@@H](C[C@@H](C2)C)C)C is Tanzawaic acid T. It is also related to or classified as medium-chain fatty acid  .
The molecule N([C@@H](CCCNC(N)=N)B(O)O)C(=O)[C@@H]1CCCN1C([C@@H](CC2=CC=CC=C2)NC(C)=O)=O N([C@@H](CCCNC(N)=N)B(O)O)C(=O)[C@@H]1CCCN1C([C@@H](CC2=CC=CC=C2)NC(C)=O)=O is A C-terminal boronic acid petide that is N-acetyl-D-phenylalanyl-L-prolyl-L-arginine in which the C-termnal carboxy group has been replaced by a borono (-B(OH)2) group. A thrombin (Factor IIa) inhibitor, thereby acting as an anticoagulant. It has the role of anticoagulant . It has the role of EC 3.4.21.5 (thrombin) inhibitor . It is also related to or classified as C-terminal boronic acid peptide , acetamides , guanidines .
The molecule C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3CCCC3)C(=O)N(C[C@@H]1OC)C)C)S(=O)(=O)C C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3CCCC3)C(=O)N(C[C@@H]1OC)C)C)S(=O)(=O)C is N-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-8-methylsulfonyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopentanecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCC(C)CC(C)(CC(=O)O[C@H]1C[C@]2(C[C@@H]/3[C@@H](C[C@@H]2[C@@H]1C(C)C)C(=C)[C@@]4([C@H](C/C=C3/C)[C@H](OC(=O)[C@@H]4O)C)O)C)O is a terpene lactone that is obtained from Codinea simplex and acts as an inhibitor of glycerophosphoinositol biosynthesis. It has a role as a fungal metabolite and a glycerophosphoinositol synthesis inhibitor. It is a terpene lactone, a tertiary alcohol and an olefinic compound.
The molecule C=1(C[C@]2([C@@]3([NH+](C[C@H]4[C@@H]2O4)CC[C@]53C6=C(NC51)C=CC=C6)[H])CC)C(=O)OC C=1(C[C@]2([C@@]3([NH+](C[C@H]4[C@@H]2O4)CC[C@]53C6=C(NC51)C=CC=C6)[H])CC)C(=O)OC is an ammonium ion derivative resulting from the protonation of the tertiary amino group of lochnericine. The major species at pH 7.3. It is a conjugate acid of lochnericine . It is also related to or classified as indole alkaloid cation , ammonium ion derivative .
The molecule C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O)O)O)O)O)O)O is a disaccharide that is beta-D-glucopyranose in which the hydroxy group at position 6 has been converted into the corresponding alpha-L-fucopyranoside. It is a glycoside and a glycosylglucose. It derives from an alpha-L-fucose and a beta-D-glucose.
The molecule NC(=O)OC[C@@H]1[C@H](NC(=O)C(=N/OCC(O)=O)\c2csc(N)n2)C(=O)N1S(O)(=O)=O NC(=O)OC[C@@H]1[C@H](NC(=O)C(=N/OCC(O)=O)\c2csc(N)n2)C(=O)N1S(O)(=O)=O is an N-sulfonated monobactam antibiotic. It has the role of antibacterial drug . It is a conjugate acid of carumonam(1-) . It is also related to or classified as monobactam .
The molecule O1C(C2OC3=C(C2)C=4N(C=5C(C(=O)C4C(O)=C3)=CC=CC5)C)(C1)CO O1C(C2OC3=C(C2)C=4N(C=5C(C(=O)C4C(O)=C3)=CC=CC5)C)(C1)CO is 20-Hydroxyrutacridone epoxide. Its functional parent is acridone . It is also related to or classified as acridines .
The molecule O([C@H]([C@@H](O[C@@H]1O[C@H]([C@@H](O)[C@@H](O)[C@@H]1O)C)CO)[C@@H](O)[C@H](O)CO)[C@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)CO O([C@H]([C@@H](O[C@@H]1O[C@H]([C@@H](O)[C@@H](O)[C@@H]1O)C)CO)[C@@H](O)[C@H](O)CO)[C@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)CO is A glycosyl alditol that is D-galactitol in which the hydroxy groups at positions 2 and 3 have been converted into the corresponding alpha-L-fucopyranosyl and alpha-D-galactopyranosyl derivatives, respectively. It is also related to or classified as glycosyl alditol .
The molecule CCCCCCCCCC(=O)N[C@H](C(=O)O)O is an N-acyl-(2S)-hydroxyglycine resulting from the formal condensation of decanoic acid (capric acid) with the amino group of (2S)-hydroxyglycine. It derives from a decanoic acid. It is a conjugate acid of a N-decanoyl-(2S)-hydroxyglycinate.
The molecule [C@@]123CCN4[C@]3([C@](CC(=C2NC5=C1C=CC=C5)C(OC)=O)(CCC4)[C@H](O)C)[H] [C@@]123CCN4[C@]3([C@](CC(=C2NC5=C1C=CC=C5)C(OC)=O)(CCC4)[C@H](O)C)[H] is A monoterpenoid indole alkaloid that is (-)-vincadifformine which carries a hydroxy group at position 19R. A natural product found in several plant species including Catharanthus roseus and Vinca minor. It has the role of plant metabolite .  It is also related to or classified as methyl ester  . It is also related to or classified as secondary alcohol  . It is also related to or classified as Aspidosperma alkaloid , organic heteropentacyclic compound , alkaloid ester , secondary amino compound , tertiary amino compound , monoterpenoid indole alkaloid .
The molecule CC1=NOC(=C1Cl)NC(=O)C2=CC(=C(C=C2)Cl)Cl CC1=NOC(=C1Cl)NC(=O)C2=CC(=C(C=C2)Cl)Cl is 3,4-dichloro-N-(4-chloro-3-methyl-5-isoxazolyl)benzamide. It is also related to or classified as organohalogen compound  . It is also related to or classified as carbonyl compound .
The molecule CCCCC/C=C\\C/C=C\\CCCCCCCC(=O)OC is a fatty acid methyl ester of linoleic acid. It has been isolated from Neolitsea daibuensis. It has a role as a plant metabolite. It derives from a linoleic acid.
The molecule O=C(O)C=CC=C[C@@]1(O)[C@](O)(C=C[C@@H]2[C@@H]1[C@@H](C[C@@H](C2)C)C)C O=C(O)C=CC=C[C@@]1(O)[C@](O)(C=C[C@@H]2[C@@H]1[C@@H](C[C@@H](C2)C)C)C is Tanzawaic acid W. It is also related to or classified as medium-chain fatty acid  .
The molecule CCCC(=O)O[C@@H]1[C@@H]([C@@H]([C@H](C2=CC(=C(C(=C2C3=C(C4=C(C=C13)OCO4)OC)OC)OC)OC)OC(=O)C)C)C is a lignan with a dibenzocyclooctadiene skeleton isolated from Kadsura ananosma It has a role as a plant metabolite. It is an acetate ester, an aromatic ether, a lignan, an organic heterotetracyclic compound, an oxacycle and a butyrate ester.
The molecule CCCCCCCC/C=C\\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\\CCCCCCC)COC(=O)CCCCCCC/C=C\\C/C=C\\CCCCC is a triacyl-sn-glycerol in which the acyl groups at positions 1, 2 and 3 are specified as (9Z)-heptadecenoyl, oleoyl and linoleoyl respectively. It has a role as a human blood serum metabolite. It is a triacylglycerol 53:4, a triacyl-sn-glycerol and a linoleoyl containing 1,2,3-triacyl-sn-glycerol.
The molecule COC1=CC(=NC(=C1)C2=CC=CC=C2)/C=N/O is a pyridine alkaloid that is 2-phenylpyridine substituted by a methoxy group at position 4 and a (E)-(hydroxyimino)methyl group at position 6. Isolated from the marine-derived actinomycete Actinoalloteichus cyanogriseus, it exhibits antineoplastic activity. It has a role as an antineoplastic agent, a bacterial metabolite and a marine metabolite. It is an aldoxime, an aromatic ether and a pyridine alkaloid.
The molecule [C@]1([NH2+]CCC2=C1C=C(O)C(=C2)OC)(C[C@]3([C@]([C@@H](OC=C3C(OC)=O)O)(C=C)[H])[H])[H] [C@]1([NH2+]CCC2=C1C=C(O)C(=C2)OC)(C[C@]3([C@]([C@@H](OC=C3C(OC)=O)O)(C=C)[H])[H])[H] is an organic cation that is the conjugate acid of 6-O-methyl-deacetylipecoside aglycone, arising from protonation of the secondary amino group; major species at pH 7.3. Its functional parent is deacetylipecoside aglycone(1+) . It is also related to or classified as organic cation , ammonium ion derivative .
The molecule COC(=O)C1=C2Nc3ccccc3[C@@]22CCN3CC=C[C@](C1)(C(C)O)[C@@H]23 COC(=O)C1=C2Nc3ccccc3[C@@]22CCN3CC=C[C@](C1)(C(C)O)[C@@H]23 is 19-Hydroxytabersonine. It is also related to or classified as alkaloid  . It is also related to or classified as methyl ester  .
The molecule O1CC(CC2=C1C=C(O)C=C2)C3=C(OC)C=C(O)C=C3 O1CC(CC2=C1C=C(O)C=C2)C3=C(OC)C=C(O)C=C3 is Isovestitol. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule COC1=C(C=C2C[C@H]3C4=C(C2=C1)C(=C(C=C4CCN3)O)OC)O is an aporphine alkaloid that is noraporphine substituted by hydroxy groups at positions 2 and 9 and methoxy groups at positions 1 and 10. Isolated from Litsea glutinosa and Lindera chunii, exhibits inhibitory activity against HIV-1 integrase. It has a role as a metabolite and a HIV-1 integrase inhibitor. It is a member of phenols, an aromatic ether and an aporphine alkaloid. It derives from an aporphine.
The molecule C[C@@H]1CN([C@@H](COC2=C(C=C(C=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=C(C=C2)NS(=O)(=O)CC(F)(F)F)C(=O)N(C[C@@H]1OC)C)C)C is 2,2,2-trifluoro-N-[(4R,7R,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]ethanesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCNC(=O)CC[C@@H](C(=O)O)N is a N(5)-alkylglutamine where the alkyl group is ethyl. It has been isolated from green tea. It has a role as a neuroprotective agent and a plant metabolite. It is a tautomer of a N(5)-ethyl-L-glutamine zwitterion.
The molecule O[C@H]1[C@H](O)[C@@H](O)[C@H](OP([O-])([O-])=O)[C@@H](OP([O-])([O-])=O)[C@H]1O O[C@H]1[C@H](O)[C@@H](O)[C@H](OP([O-])([O-])=O)[C@@H](OP([O-])([O-])=O)[C@H]1O is an inositol phosphate oxoanion obtained by deprotonation of the phospho groups of 1D-myo-inositol 3,4-biphosphate; major species at pH 7.3. It is also related to or classified as inositol phosphate oxoanion .
The molecule C1(=CC(C(=CC1O)Cl)O)Cl C1(=CC(C(=CC1O)Cl)O)Cl is A cyclohexadienediol that is cyclohexa-2,5-diene-1,4-diol in which positions 2 and 5 are substituted by chlorines. It has the role of bacterial xenobiotic metabolite . It is also related to or classified as cyclohexadienediol  . It is also related to or classified as organochlorine compound  . It is also related to or classified as organic hydroxy compound .
The molecule C=1(C[C@]2([C@@]3([NH+](CC=C2)CC[C@]43C5=C(NC41)C=CC=C5)[H])[C@@H](C)O)C(=O)OC C=1(C[C@]2([C@@]3([NH+](CC=C2)CC[C@]43C5=C(NC41)C=CC=C5)[H])[C@@H](C)O)C(=O)OC is an ammonium ion derivative resulting from the protonation of the tertiary amino group of (-)-(R)-19-hydroxytabersonine. The major species at pH 7.3. It is a conjugate acid of 19-Hydroxytabersonine . It is also related to or classified as indole alkaloid cation , ammonium ion derivative .
The molecule C([C@@H]([C@H]([C@@H](C(=O)C(=O)O)O)O)O)O is a ketoaldonic acid. It derives from a L-idonic acid and a L-gulonic acid. It is a conjugate acid of a 2-dehydro-L-idonate.
The molecule [H][C@]12SCC(CSc3cnns3)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\c1csc(N)n1)C(O)=O [H][C@]12SCC(CSc3cnns3)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\c1csc(N)n1)C(O)=O is A second generation cephalosporin antibiotic. It has the role of antibacterial drug . It is a conjugate acid of cefuzonam(1-) . It is also related to or classified as cephalosporin  .
The molecule O=C1CCCC(=O)C1 O=C1CCCC(=O)C1 is A cyclohexanedione carrying oxo substituents at positions 1 and 3. It is also related to or classified as cyclohexanedione  . It is also related to or classified as beta-diketone .
The molecule CCCN1C[C@@H]([C@@H](CN(C(=O)C2=C(C=C(C=C2)NS(=O)(=O)C)OC[C@H]1C)C)OC)C CCCN1C[C@@H]([C@@H](CN(C(=O)C2=C(C=C(C=C2)NS(=O)(=O)C)OC[C@H]1C)C)OC)C is N-[(5S,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-propyl-11-oxa-3,8-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 CC(C=C(C1=CC=CS1)C2=CC=CS2)N(C)C is n,N-Dimethylbut-3-en-2-amine in which each of the hydrogens at position 4 is substituted by a 2-thienyl group. An opioid analgesic drug, it is controlled under the UN Single Convention on Narcotic Drugs (1961), but is used in veterinary medicine, particularly in Japan. It has a role as an opioid analgesic. It is a member of thiophenes and a tertiary amine.
The molecule [H]C(C(=O)C(Cl)C(O)=O)=C(Cl)C(O)=O [H]C(C(=O)C(Cl)C(O)=O)=C(Cl)C(O)=O is an alpha,omega-dicarboxylic acid that is hexanedioic acid containing a double bond between positions 2 and 3, an oxo group at position 4, and two chlorine atoms (at positions 2 and 5). Its functional parent is 4-oxohex-2-enedioic acid . It is a conjugate acid of 2,5-dichloro-4-oxohex-2-enedioate(2-) .   It is also related to or classified as organochlorine compound  . It is also related to or classified as alpha,omega-dicarboxylic acid , oxo dicarboxylic acid .
The molecule [C@@]123CC[NH+]4[C@]3([C@](CC(=C2NC5=C1C=CC=C5)C(OC)=O)(CCC4)[C@H](O)C)[H] [C@@]123CC[NH+]4[C@]3([C@](CC(=C2NC5=C1C=CC=C5)C(OC)=O)(CCC4)[C@H](O)C)[H] is an ammonium ion resulting from the protonation of the tertiary amino group of (-)-minovincinine. The major species at pH 7.3. It is a conjugate acid of (-)-minovincinine . It is also related to or classified as indole alkaloid cation , ammonium ion derivative .
The molecule CCN(CC)C(=O)OC1=C(C(=O)C2=C(C)C3=C(C=C2)N(C)C(=O)N(C2=CC(Cl)=CC=C2)C3=O)C(C)=NN1C CCN(CC)C(=O)OC1=C(C(=O)C2=C(C)C3=C(C=C2)N(C)C(=O)N(C2=CC(Cl)=CC=C2)C3=O)C(C)=NN1C is A member of the class of quinazolines that is 1-methylquinazoline-2,4(1H,3H)-dione substituted by 3-chlorophenyl, methyl, and {5-[(diethylcarbamoyl)oxy]-1,3-dimethyl-1H-pyrazol-4-yl}carbonyl groups at positions 3, 5, and 6, respectively. It is a herbicide developed by Liaoning Cynda Chemical Co. Ltd. It has the role of herbicide . It has the role of EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor . It is also related to or classified as carbamate ester , pyrazoles , quinazolines , aromatic ketone , monochlorobenzenes .
The molecule C1[C@@H](C[NH2+][C@@H]1C(=O)[O-])O is an amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group cis-4-hydroxy-L-proline; major species at pH 7.3. It is a tautomer of a cis-4-hydroxy-L-proline.
The molecule [H]C(=O)[C@H](O)[C@@H](O)CC(=O)C([O-])=O [H]C(=O)[C@H](O)[C@@H](O)CC(=O)C([O-])=O is the anion resulting from the removal of a proton from the carboxylic acid group of 5-dehydro-4-deoxy-D-glucuronic acid. It is also related to or classified as glucuronates .
The molecule CCCCCCCC(=O)C(O)=O CCCCCCCC(=O)C(O)=O is A nine-carbon straight-chain 2-oxo monocarboxylic acid. Its functional parent is nonanoic acid . It is a conjugate acid of 2-oxononanoate . It is also related to or classified as 2-oxo monocarboxylic acid  .
The molecule c1cc2ccccc2[nH]1 c1cc2ccccc2[nH]1 is 1H-indole. It has the role of Escherichia coli metabolite . It is also related to or classified as indole  . It is also related to or classified as polycyclic heteroarene .
The molecule CCCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@H]([C@H](CN[C@H](CO2)C)C)OC)C CCCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@H]([C@H](CN[C@H](CO2)C)C)OC)C is N-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-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 C=CCC(=O)C(=O)[O-] is a 2-oxo monocarboxylic acid anion. It derives from a pent-4-enoate. It is a conjugate base of a 2-oxopent-4-enoic acid. It is a tautomer of a 2-hydroxypenta-2,4-dienoate.
The molecule C=1(C[C@@]2([C@]3(N(CCC2)CC[C@@]43C5=C(NC41)C=CC=C5)[H])[C@H](C)O)C(=O)OC C=1(C[C@@]2([C@]3(N(CCC2)CC[C@@]43C5=C(NC41)C=CC=C5)[H])[C@H](C)O)C(=O)OC is A monoterpenoid indole alkaloid that is (+)-vincadifformine which carries a hydroxy group at position 19S. A natural product found in several plant species including Alstonia venenata and Catharanthus trichophyllus. It has the role of plant metabolite .  It is also related to or classified as methyl ester  . It is also related to or classified as secondary alcohol  . It is also related to or classified as Aspidosperma alkaloid , organic heteropentacyclic compound , alkaloid ester , secondary amino compound , tertiary amino compound , monoterpenoid indole alkaloid .
The molecule COC1=C2C(=C(C=C1)C(=O)N=C3C(=CN(C=C3Cl)O)Cl)C=CC(=N2)C(F)(F)F is an aromatic amide resulting from the formal condensation of the carboxy group of 8-methoxy-2-(trifluoromethyl)quinoline-5-carboxylic acid with the primary amino group of 3,5-dichloropyridin-4-amine 1-oxide. It is a potent inhibitor of phosphodiesterase IV (PDE4). It has a role as a phosphodiesterase IV inhibitor. It is a member of pyridine N-oxides, a chloropyridine, a monocarboxylic acid amide, a member of quinolines, an aromatic ether, an aromatic amide and an organofluorine compound.
The molecule CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)([O-])[O-])O is a 2,3-trans-enoyl CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (2E,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA; major species at pH 7.3. It is a conjugate base of a (2E,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA.
The molecule C=Cc1ccc2ccccc2c1 C=Cc1ccc2ccccc2c1 is A vinylnaphthalene carrying a vinyl group at position 2. It is also related to or classified as vinylnaphthalene  .
The molecule O=C(O)C=CC=C[C@H]1C(=C[C@@H](OC)[C@@H]2[C@@H]1[C@@H](C[C@@H](C2)CO)C)C O=C(O)C=CC=C[C@H]1C(=C[C@@H](OC)[C@@H]2[C@@H]1[C@@H](C[C@@H](C2)CO)C)C is Tanzawaic acid S. It is also related to or classified as medium-chain fatty acid  .