anonymous041/ChEBI-Augmented huggingface dataset:
The molecule [H][C@]12CCC(=O)C=C1C[C@@H](C)[C@]1([H])[C@]2([H])CC[C@@]2(C)[C@@]1([H])CC[C@]2(C)O [H][C@]12CCC(=O)C=C1C[C@@H](C)[C@]1([H])[C@]2([H])CC[C@@]2(C)[C@@]1([H])CC[C@]2(C)O is an androgen that is nalandrone carrying two methyl substituents at positions 7alpha and 17. It has the role of anabolic agent . It has the role of androgen . It is also related to or classified as 17beta-hydroxy steroid  . It is also related to or classified as 3-oxo-Delta(4) steroid  .
The molecule CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@H]([C@@H](CN([C@@H](CO2)C)CC3=CN=CN=C3)C)OC)C CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@H]([C@@H](CN([C@@H](CO2)C)CC3=CN=CN=C3)C)OC)C is N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(5-pyrimidinylmethyl)-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 C12=CC=CC=C1C=C3C(=C2)C=4C=CC=CC4C5C3O5 C12=CC=CC=C1C=C3C(=C2)C=4C=CC=CC4C5C3O5 is an arene epoxide that is tetraphene which has undergone 1,2 addition of an oxygen atom to the double bond at the 5-6 position. It has the role of mutagen . It is also related to or classified as arene epoxide , organic heteropentacyclic compound .
The molecule CO[C@H](CO)[C@@H]1[C@@H]([C@@H](C[C@@](O1)(C(=O)[O-])OCC=C)O)O is the carbohydrate acid derivative anion formed from (allyl 3-deoxy-7-O-methyl-alpha-D-manno-oct-2-ulopyranosid)onic acid by proton loss from the carboxy group. It is a conjugate base of an (allyl 3-deoxy-7-O-methyl-alpha-D-manno-oct-2-ulopyranosid)onic acid.
The molecule O=C1O[C@H](CC=CC(=O)[C@@H](O)[C@@H](CC=CC=2C1=C(O)C=C(OC)C2)O)C O=C1O[C@H](CC=CC(=O)[C@@H](O)[C@@H](CC=CC=2C1=C(O)C=C(OC)C2)O)C is Cochliomycin D. It is also related to or classified as macrolide  . It is also related to or classified as resorcinols .
The molecule CCC(=O)NC1=CC2=C(C=C1)OC[C@H](NC[C@@H]([C@@H](CN(C2=O)C)OC)C)C CCC(=O)NC1=CC2=C(C=C1)OC[C@H](NC[C@@H]([C@@H](CN(C2=O)C)OC)C)C is N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-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 S(CC(NC(=O)C(N)C(O)C)C(O)=O)(O)(=O)=O S(CC(NC(=O)C(N)C(O)C)C(O)=O)(O)(=O)=O is A dipeptide resulting from the formal condensation of the carboxy group of threonine with the amino group of cysteic acid. Its functional parent is cysteic acid . Its functional parent is threonine .  It is also related to or classified as dipeptide  . It is also related to or classified as amino sulfonic acid .
The molecule C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)NC3=CC=C(C=C3)F)C(=O)N(C[C@H]1OC)C)C)C(=O)C4=CC=C(C=C4)F C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)NC3=CC=C(C=C3)F)C(=O)N(C[C@H]1OC)C)C)C(=O)C4=CC=C(C=C4)F is 1-(4-fluorophenyl)-3-[(5S,6R,9R)-8-[(4-fluorophenyl)-oxomethyl]-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(O)CCNC(=O)CC=1C=CC=CC1 O=C(O)CCNC(=O)CC=1C=CC=CC1 is phenylacetyl-beta-alanine. Its functional parent is beta-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C1[C@@H](N=C(S1)C2=NC3=C(S2)C=C(C=C3)OS(=O)(=O)O)C(=O)O is a member of the class of benzothiazoles that is Photinus luciferin in which the phenolic hydroxy group has been replaced by a sulfo group. Enzymatic derivative of firefly luciferin produced by luciferin sulfotransferase (LST) from luciferin with 3'-phosphoadenosine-5'-phosphosulfate (PAPS) as co-substrate. Not a substrate for firefly luciferase. Likely the in-vivo storage form of luciferin. It has a role as an animal metabolite. It is a 1,3-thiazolemonocarboxylic acid, a member of benzothiazoles, an imidothioate and an aryl sulfate. It derives from a Photinus luciferin. It is a conjugate acid of a firefly D-sulfoluciferin(2-).
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)C(=O)NC3=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)C(=O)NC3=CC=C(C=C3)F is 1-[[(3S,9S,10S)-16-(dimethylamino)-12-[(2S)-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]-3-(4-fluorophenyl)-1-methylurea. 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)C3CC3)C(=O)N(C[C@@H]1OC)C)C)CC4CCCC4 C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3CC3)C(=O)N(C[C@@H]1OC)C)C)CC4CCCC4 is N-[(4S,7S,8R)-5-(cyclopentylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule [Cu++].[O-]S([O-])(=O)=O [Cu++].[O-]S([O-])(=O)=O is A metal sulfate compound having copper(2+) as the metal ion. It has the role of sensitiser . It has the role of emetic . It has the role of fertilizer . It is also related to or classified as metal sulfate .
The molecule [H+].CC(O)C([O-])=O.Cc1[nH]c(=O)c(cc1-c1ccncc1)C#N [H+].CC(O)C([O-])=O.Cc1[nH]c(=O)c(cc1-c1ccncc1)C#N is milrinone lactate. It has the role of vasodilator agent . It has the role of cardiotonic drug . It has the role of platelet aggregation inhibitor . It has the role of EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor . It is also related to or classified as lactate salt .
The molecule CCN(C1=CC=CC=C1C)C(=O)/C=C/C is an enamide resulting from the formal condensation of crotonic acid with N-ethyl-2-methylaniline. A colourless or pale yellow oily liquid, it is used in the treatment of pruritus (itching) by producing a counter-irritation: as it evaporates from the skin, it produces a cooling effect that diverts attention away from the itching. It has also been used as an acaricide in the treatment of scabies, though more effective drugs are usually preferred. It has a role as an antipruritic drug and a scabicide. It is an enamide and a tertiary carboxamide.
The molecule C(N[C@H](C(N[C@H](C(=O)C(NC(C)C)=O)C[C@@]1(CCNC1=O)[H])=O)CC(C)C)([C@@H](NC(OCC2=CC=CC=C2)=O)CC3=C4C(=CC=C3)C=CC=C4)=O C(N[C@H](C(N[C@H](C(=O)C(NC(C)C)=O)C[C@@]1(CCNC1=O)[H])=O)CC(C)C)([C@@H](NC(OCC2=CC=CC=C2)=O)CC3=C4C(=CC=C3)C=CC=C4)=O is Benzyl N-[(2S)-1-[[(2S)-1-[[(2S)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(propan-2-ylamino)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]carbamate. It has the role of anticoronaviral agent . It is also related to or classified as dipeptide  .
The molecule O=C(O)C(N)CC=1C=CC=C(C1)C(=O)C O=C(O)C(N)CC=1C=CC=C(C1)C(=O)C is the L-enantiomer of 3-acetylphenylalanine. It is also related to or classified as 3-acetylphenylalanine  . It is also related to or classified as L-phenylalanine derivative .
The molecule O=C1N(O)[C@H](C(=O)N[C@H]1CCCNC(=O)/C=C(/CCO)\C)CCCN(O)C(=O)C O=C1N(O)[C@H](C(=O)N[C@H]1CCCNC(=O)/C=C(/CCO)\C)CCCN(O)C(=O)C is (E)-N-[3-[(2S,5S)-5-[3-[acetyl(hydroxy)amino]propyl]-4-hydroxy-3,6-dioxopiperazin-2-yl]propyl]-5-hydroxy-3-methylpent-2-enamide. 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@@H](C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)O)N)O is a tripeptide composed of L-threonine, L-aspartic acid, and glycine joined by a peptide linkage. It has a role as a metabolite. It derives from a L-threonine, a L-aspartic acid and a glycine.
The molecule C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@H](C)CO)C)CN(C)CC3=CC=C(C=C3)OC C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@H](C)CO)C)CN(C)CC3=CC=C(C=C3)OC is N-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C(N[C@H](C(N[C@H](\C=C\C(=O)OCC)C[C@H]1C(NCC1)=O)=O)CC2=CC=CC=C2)([C@@H](NC(=O)OCC3=CC=CC=C3)C(C)C)=O C(N[C@H](C(N[C@H](\C=C\C(=O)OCC)C[C@H]1C(NCC1)=O)=O)CC2=CC=CC=C2)([C@@H](NC(=O)OCC3=CC=CC=C3)C(C)C)=O is Ethyl (E,4S)-4-[[(2S)-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-phenylpropanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate. It has the role of anticoronaviral agent . It is also related to or classified as dipeptide  .
The molecule O1C2=C(C(CC1(C3=CC=CC=C3)O)=O)C(=CC(=C2)O)O O1C2=C(C(CC1(C3=CC=CC=C3)O)=O)C(=CC(=C2)O)O is A trihydroxyflavanone carrying the hydroxy groups at positions 2,5 and 7. It is also related to or classified as 2-hydroxyflavanones  . It is also related to or classified as trihydroxyflavanone .
The molecule CCC(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@@H]([C@H](CN(C2=O)C)OC)C)C(=O)C3CCC3)C CCC(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@@H]([C@H](CN(C2=O)C)OC)C)C(=O)C3CCC3)C is N-[(4R,7S,8R)-5-[cyclobutyl(oxo)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCNc1nc(Cl)nc(NC(C)(C)C#N)n1 CCNc1nc(Cl)nc(NC(C)(C)C#N)n1 is A chloro-1,3,5-triazine that is 2-chloro-1,3,5-triazine substituted by an ethyl amino and a (2-cyanopropan-2-yl)amino group at positions 6 and 4 respectively. 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 chloro-1,3,5-triazine , 1,3,5-triazinylamino nitrile .
The molecule C1=CC(=CC=C1[C@H](C#N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O is a beta-D-glucoside consisting of (R)-prunasin carrying a hydroxy substituent at position 4 on the phenyl ring. It is a beta-D-glucoside and a nitrile. It derives from a (R)-prunasin.
The molecule O=C1C2=C(O)C=CC=C2C(=O)[C@@]34[C@@]1(O3)[C@@H](O[C@H](C4)CC(=O)O)C O=C1C2=C(O)C=CC=C2C(=O)[C@@]34[C@@]1(O3)[C@@H](O[C@H](C4)CC(=O)O)C is Nanaomycin E. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule O1C2=C(C(C[C@@]1(C3=CC=CC=C3)O)=O)C(=CC(=C2)O)O O1C2=C(C(C[C@@]1(C3=CC=CC=C3)O)=O)C(=CC(=C2)O)O is A 2,5,7-trihydroxy-2-phenyl-2,3-dihydro-4H-chromen-4-one that has (R) configuration. It is also related to or classified as 2,5,7-trihydroxy-2-phenyl-2,3-dihydro-4H-chromen-4-one  .
The molecule CC1=CC(=O)C2=C(O1)C=C3C(=C2OC)C=CO3 is a furanochromone that is furo[3,2-g]chromen-5-one which is substituted at positions 4 and 7 by methoxy and methyl groups, respectively. Found in the toothpick-plant, Ammi visnaga. It has a role as a phytotoxin, an EC 1.1.1.37 (malate dehydrogenase) inhibitor, a vasodilator agent, an antihypertensive agent, an anti-inflammatory agent and a plant metabolite. It is a furanochromone, an aromatic ether and a polyketide.
The molecule O=C(NC(C(O)C(O)CCO)CNC1=NCC(N1)C(O)(C=O)CN)CC(N)CCCN O=C(NC(C(O)C(O)CCO)CNC1=NCC(N1)C(O)(C=O)CN)CC(N)CCCN is Roseothricin (H-277). Its functional parent is beta-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule O1C2=C(C(CC1(C3=CC=C(C=C3)O)O)=O)C(=CC(=C2)O)O O1C2=C(C(CC1(C3=CC=C(C=C3)O)O)=O)C(=CC(=C2)O)O is A tetrahydroxyflavanone carrying the hydroxy groups at positions 2, 4', 5 and 7. It has the role of plant metabolite . It is also related to or classified as 2-hydroxyflavanones  . It is also related to or classified as tetrahydroxyflavanone .
The molecule CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)CO)O)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O is an amino trisaccharide consisting of two alpha-D-mannopyranose residues and a 2-acetamido-2-deoxy-D-glucopyranose residue joined in sequence by (1->2) and (1->3) glycosidic bonds. It is a member of acetamides and an amino trisaccharide. It derives from an alpha-D-Manp-(1->2)-alpha-D-Manp.
The molecule C1=CC=CC(C[C@@H](C[C@@H]([C@@H](NC(=O)COC=2C(=CC=CC2C)C)CC3=CC=CC=C3)O)NC(=O)[C@H](C(C)C)N4CCCNC4=O)=C1.[C@H](CC1=CC=CC=C1)(C[C@@H]([C@H](CC2=CC=CC=C2)NC(OCC3=CN=CS3)=O)O)NC([C@@H](NC(N(CC=4N=C(C(C)C)SC4)C)=O)C(C)C)=O C1=CC=CC(C[C@@H](C[C@@H]([C@@H](NC(=O)COC=2C(=CC=CC2C)C)CC3=CC=CC=C3)O)NC(=O)[C@H](C(C)C)N4CCCNC4=O)=C1.[C@H](CC1=CC=CC=C1)(C[C@@H]([C@H](CC2=CC=CC=C2)NC(OCC3=CN=CS3)=O)O)NC([C@@H](NC(N(CC=4N=C(C(C)C)SC4)C)=O)C(C)C)=O is A mixture containing lopinavir and ritonavir. It is a prescription medicine that is used with other antiretroviral medicines to treat Human Immunodeficiency Virus-1 (HIV-1) infection in adults and children 14 days of age and older. It has the role of anticoronaviral agent . It has the role of HIV protease inhibitor . It has the role of antiviral drug . It is also related to or classified as mixture .
The molecule O1C2=C(C(C[C@@]1(C3=CC=C(C=C3)O)O)=O)C(=CC(=C2)O)O O1C2=C(C(C[C@@]1(C3=CC=C(C=C3)O)O)=O)C(=CC(=C2)O)O is A 2,5,7-trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one that has (R) configuration. It has the role of plant metabolite . Its functional parent is (R)-naringenin . It is also related to or classified as 2,5,7-trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one  .
The molecule [Cl-].CC(C)[NH2+]CC(O)COc1cc(C)c(OC(C)=O)c(C)c1C [Cl-].CC(C)[NH2+]CC(O)COc1cc(C)c(OC(C)=O)c(C)c1C is the hydrochloride salt of metipranolol. A non-cardioselective beta-blocker, it is used to lower intra-ocular pressure in the management of open-angle glaucoma. It has the role of beta-adrenergic antagonist . It has the role of antihypertensive agent . It has the role of anti-arrhythmia drug . It has the role of antiglaucoma drug . It is also related to or classified as organic chloride salt .
The molecule CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CC is a 3-sn-phosphatidyl-L-serine in which the phosphatidyl acyl groups at positions 1 and 2 are specified as octadecanoyl and (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl respectively. It derives from an all-cis-docosa-4,7,10,13,16,19-hexaenoic acid. It is a conjugate acid of a 1-octadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoserine(1-).
The molecule [H][C@]12SCC(CSc3nnnn3C)=C(N1C(=O)[C@]2(NC(=O)CSCC#N)OC)C(O)=O [H][C@]12SCC(CSc3nnnn3C)=C(N1C(=O)[C@]2(NC(=O)CSCC#N)OC)C(O)=O is A second-generation cephalosporin antibiotic having N(1)-methyltetrazol-5-ylthiomethyl, {[(cyanomethyl)sulfanyl]acetyl}amino and methoxy side-groups at positions 3, 7beta and 7alpha respectively of the parent cephem bicyclic structure. It has the role of antibacterial drug . It is a conjugate acid of cefmetazole(1-) . It is also related to or classified as cephalosporin  .
The molecule O1C2=C(C(CC1(C3=CC(=C(C=C3)O)O)O)=O)C(=CC(=C2)O)O O1C2=C(C(CC1(C3=CC(=C(C=C3)O)O)O)=O)C(=CC(=C2)O)O is A pentahydroxyflavanone carrying the hydroxy groups at positions 2,3', 4', 5 and 7. It is also related to or classified as 2-hydroxyflavanones  . It is also related to or classified as pentahydroxyflavanone  .
The molecule CCC(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@H]([C@@H](CN(C2=O)C)OC)C)CC3CCOCC3)C CCC(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@H]([C@@H](CN(C2=O)C)OC)C)CC3CCOCC3)C is N-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-5-(4-oxanylmethyl)-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule O=C(O)C1=NC=C(O)C=C1 O=C(O)C1=NC=C(O)C=C1 is 5-hydroxypicolinic acid. It is also related to or classified as pyridines , aromatic carboxylic acid .
The molecule CC1(C=CC2=C(O1)C=C(C3=C2OC(=C(C3=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C5=CC(=C(C=C5)O)O)O)C is a glycosyloxyflavone that is 5,3',4'-trihydroxyflavone substituted by a beta-D-glucopyranosyloxy group at position 3 and a 2'',2''-dimethylpyrano ring fused across positions 7 and 8. Isolated from the leaves of Salix matsudana, it acts as a cyclooxygenase 2 inhibitor. It has a role as a metabolite and a cyclooxygenase 2 inhibitor. It is an extended flavonoid, a glycosyloxyflavone, a trihydroxyflavone, a beta-D-glucoside, a monosaccharide derivative and a pyranochromane.
The molecule C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@H](C)CO)C)CN(C)C(=O)C3CCCCC3 C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@H](C)CO)C)CN(C)C(=O)C3CCCCC3 is N-[[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-16-(methanesulfonamido)-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylcyclohexanecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCC(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@H]([C@H](CN(C2=O)C)OC)C)C(=O)C3CCC3)C CCC(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@H]([C@H](CN(C2=O)C)OC)C)C(=O)C3CCC3)C is N-[(4S,7R,8R)-5-[cyclobutyl(oxo)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule O1C2=C(C(C[C@@]1(C3=CC(=C(C=C3)O)O)O)=O)C(=CC(=C2)O)O O1C2=C(C(C[C@@]1(C3=CC(=C(C=C3)O)O)O)=O)C(=CC(=C2)O)O is A 2-(3,4-dihydroxyphenyl)-2,5,7-trihydroxy-2,3-dihydro-4H-chromen-4-one that has (R) configuration. It is also related to or classified as 2-(3,4-dihydroxyphenyl)-2,5,7-trihydroxy-2,3-dihydro-4H-chromen-4-one  .
The molecule O=C(O)C(N)CC=1C=CC=C(C1)CC=C O=C(O)C(N)CC=1C=CC=C(C1)CC=C is an L-phenylalanine derivative that is L-phenylalanine substituted by an allyl group at position 3 of the phenyl ring. It is also related to or classified as alkenylbenzene , L-phenylalanine derivative .
The molecule CCCCCCCCCCCCC/C=C/C(=O)[C@H](CO)N is a sphingoid that is the 3-keto analogue of sphingosine. It is an amino alcohol, an enone, a beta-hydroxy ketone and a sphingoid. It derives from a sphing-4-enine and a sphingosine.
The molecule O=C(O)CCCCCCC=[C@@]=CC#CC#CCCC O=C(O)CCCCCCC=[C@@]=CC#CC#CCCC is Phomallenic acid B. It is also related to or classified as long-chain fatty acid  .
The molecule C1(C)(C)C(\C=C\C(=C\C=C\C(CCO)C)\C)=C(C)C=CC1 C1(C)(C)C(\C=C\C(=C\C=C\C(CCO)C)\C)=C(C)C=CC1 is A retinoid that is all-trans-3,4-didehydroretinol in which the double bond alpha- to the the terminal hydroxy group has been reduced to a single bond. Its functional parent is all-trans-3,4-didehydroretinol . It is also related to or classified as primary alcohol  . It is also related to or classified as retinoid  .
The molecule CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)C(F)(F)F CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)C(F)(F)F is A fatty acid derivative that is arachidonic acid in which the OH part of the carboxy group has been replaced by a trifluoromethyl group. It has the role of EC 3.1.1.4 (phospholipase A2) inhibitor . Its functional parent is arachidonic acid . It is also related to or classified as ketone  . It is also related to or classified as organofluorine compound  . It is also related to or classified as fatty acid derivative , olefinic compound .
The molecule CN(C1=CC=CC(=C1F)C(=O)NC2=C(C=C(C=C2Br)C(C(F)(F)F)(C(F)(F)F)F)C(F)(F)F)C(=O)C3=CC=CC=C3 is a benzamide obtained by formal condensation of the carboxy group of 3-[benzoyl(methyl)amino]-2-fluorobenzoic acid with the amino group of 2-bromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)aniline. An insecticide that exhibits high larvicidal activity against Spodoptera litura and is effective against pests with resistance to cyclodienes and fipronil It has a role as an agrochemical and a GABA antagonist. It is a member of benzamides, a member of monofluorobenzenes, an organofluorine insecticide, a member of bromobenzenes and a member of (trifluoromethyl)benzenes.
The molecule BrCC[C@H]1C(=O)N[C@@]2([C@]1(OC2=O)C)[C@@H](O)[C@@H]3C=CCCC3 BrCC[C@H]1C(=O)N[C@@]2([C@]1(OC2=O)C)[C@@H](O)[C@@H]3C=CCCC3 is Bromosalinosporamide. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N)[C@H](C)CO)C)CNC C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N)[C@H](C)CO)C)CNC is (3S,9S,10S)-16-amino-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
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)C(=O)NC3=CC=CC4=CC=CC=C43 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)C(=O)NC3=CC=CC4=CC=CC=C43 is 1-[[(3R,9R,10S)-16-(dimethylamino)-12-[(2S)-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]-1-methyl-3-(1-naphthalenyl)urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC(C)(C)NC[C@@H](COC1=NSN=C1N2CCOCC2)O.CC(C)(C)NC[C@@H](COC1=NSN=C1N2CCOCC2)O.O is a hydrate, which is the hemihydrate form of the (S)-(-) (more active) enantiomer of timolol. It has a role as an antihypertensive agent, an anti-arrhythmia drug, a beta-adrenergic antagonist and an antiglaucoma drug. It contains a (S)-timolol (anhydrous).
The molecule O=C(O)[C@@]1(O)[C@@]2(O[C@](CCC(=C)[C@@H](OC(=O)C)[C@@H](CC3=CC=CC=C3)C)(O[C@@H]1C(=O)O)[C@@H](C2)O)C(=O)O O=C(O)[C@@]1(O)[C@@]2(O[C@](CCC(=C)[C@@H](OC(=O)C)[C@@H](CC3=CC=CC=C3)C)(O[C@@H]1C(=O)O)[C@@H](C2)O)C(=O)O is Squalestatin H1. Its functional parent is tetracarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@@H]([C@H](CN(C2=O)C)OC)C)C(=O)CN(C)C)C CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@@H]([C@H](CN(C2=O)C)OC)C)C(=O)CN(C)C)C is N-[(4S,7S,8R)-5-[2-(dimethylamino)-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]ethanesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C1=C(C=C2C(=C1)C(=CC=N2)NCCCCNC3=NC(=C(C(=N3)C)C(=O)OCC)C4=C(C=CC=C4)[N+](=O)[O-])Cl C1=C(C=C2C(=C1)C(=CC=N2)NCCCCNC3=NC(=C(C(=N3)C)C(=O)OCC)C4=C(C=CC=C4)[N+](=O)[O-])Cl is Ethyl 2-[4-[(7-chloroquinolin-4-yl)amino]butylamino]-4-methyl-6-(2-nitrophenyl)pyrimidine-5-carboxylate. It has the role of anticoronaviral agent . It is also related to or classified as pyrimidines .
The molecule Cc1[nH]c(=O)c(cc1-c1ccncc1)C#N Cc1[nH]c(=O)c(cc1-c1ccncc1)C#N is A member of the class of bipyridines that is 2-pyridone which is substituted at positions 3, 5, and 6 by cyano, pyrid-4-yl, and methyl groups, respectively. It is used (particularly intravenously, as the lactate) for the short-term management of severe heart failure. It has the role of vasodilator agent . It has the role of cardiotonic drug . It has the role of platelet aggregation inhibitor . It has the role of EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor . It is also related to or classified as nitrile  . It is also related to or classified as pyridone , bipyridines .
The molecule CSCC[C@H](C(=O)O)N is an optically active form of methionine having D-configuration. It is a methionine and a D-alpha-amino acid. It is a conjugate base of a D-methioninium. It is a conjugate acid of a D-methioninate. It is an enantiomer of a L-methionine. It is a tautomer of a D-methionine zwitterion.
The molecule O=C(O[C@@H](C[C@@H](O)CC(=O)O)CCCCC)C[C@H](OC(=O)C)C[C@H](OC(=O)C[C@H](O)C[C@H](O)CCCCC)CCCCC O=C(O[C@@H](C[C@@H](O)CC(=O)O)CCCCC)C[C@H](OC(=O)C)C[C@H](OC(=O)C[C@H](O)C[C@H](O)CCCCC)CCCCC is Halymecin C. Its functional parent is tetracarboxylic acid . It is also related to or classified as organooxygen compound .