anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCCN(C)C)[C@@H](C)CO)C)CN(C)C(=O)C3=CC=CC=C3 C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCCN(C)C)[C@@H](C)CO)C)CN(C)C(=O)C3=CC=CC=C3 is N-[[(3R,9S,10R)-16-[[4-(dimethylamino)-1-oxobutyl]amino]-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]-N-methylbenzamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC1=CC2=C(C(=C1)O)C(=O)C3=C([C@H]2[C@H]4[C@@H]([C@H]([C@H]([C@@H](O4)OC(=O)C)O)OC(=O)C=C(C)C)O)C=CC=C3O is a C-glycosyl compound that is 1,8-dihydroxy-3-methylanthracen-9(10H)-one substituted by a 1-O-acetyl-3-O-senecioyl-alpha-L-lyxopyranosyl moiety at position 10 via a C-glycosidic linkage (the 10R stereoisomer). It is isolated from the leaves of Alvaradoa haitiensis and exhibits cytotoxicity against human oral epidermoid carcinoma. It has a role as a metabolite and an antineoplastic agent. It is a C-glycosyl compound, an acetate ester, a member of anthracenes and a polyphenol. It derives from a 3-methylbut-2-enoic acid.
The molecule CC[C@H](C)C(=O)C/C=C\\C[C@H]([C@@H](CC)C(=O)[O-])O is the conjugate base of ketomycolic acid type-3 (XIII). A class of mycolic acids characterized by the presence of a proximal cis C=C double bond and a distal oxo group and a (CH-CH3) fragment of (S) stereochemistry in the meromycolic chain.
The molecule C(CCCCCC/C=C/[C@@H](C[C@H]1[C@@H](CCCCC)O1)O)([O-])=O C(CCCCCC/C=C/[C@@H](C[C@H]1[C@@H](CCCCC)O1)O)([O-])=O is (12S,13R)-epoxy-(10R)-hydroxy-(8E)-octadecenoate(1-). It is also related to or classified as octadecanoid anion , epoxy fatty acid anion , hydroxy fatty acid anion .
The molecule C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)F)[C@H](C)CO)C)CN(C)CC4CC4 C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)F)[C@H](C)CO)C)CN(C)CC4CC4 is 1-[(3S,9R,10S)-9-[[cyclopropylmethyl(methyl)amino]methyl]-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-16-yl]-3-(4-fluorophenyl)urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@H](O)C(C)C [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@H](O)C(C)C is A 7alpha,24-dihydroxycholesterol in which has S configuration at position 24. It has the role of human metabolite . It is also related to or classified as 7alpha,24-dihydroxycholesterol  .
The molecule N[C@H](CS)C([O-])=O N[C@H](CS)C([O-])=O is the D-enantiomer of cysteinate(1-). It has the role of fundamental metabolite . It is a conjugate acid of D-cysteinate(2-) . It is also related to or classified as cysteinate(1-)  .
The molecule Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 is A member of the class of imidazoles that is 1H-imidazole in which the hydrogen attached to a nitrogen is replaced by a monochlorotrityl group. It has the role of antiinfective agent . It has the role of xenobiotic . It has the role of environmental contaminant . It is also related to or classified as monochlorobenzenes , imidazole antifungal drug , conazole antifungal drug , imidazoles .
The molecule C[C@@]12CC(=O)O[C@@]13[C@@](C4=C(C(=C(N4)CC5=C(C(=C(N5)/C=C\\6/[C@H]([C@](/C(=C/C(=[NH+]3)[C@H]2CCC(=O)[O-])/N6)(C)CC(=O)[O-])CCC(=O)[O-])CC(=O)[O-])CCC(=O)[O-])CCC(=O)[O-])CC(=O)[O-])(C)O is a precorrin carboxylic acid anion that is the hexaanionic form of precorrin-3B. It is a conjugate base of a precorrin-3B. It is a conjugate acid of a precorrin-3B(7-).
The molecule CCCCCCCCCCOS(=O)(=O)O is an alkyl sulfate that is the sulfuric ester of decanol. It has a role as a Daphnia pulex metabolite and a kairomone. It derives from a decan-1-ol. It is a conjugate acid of a decyl sulfate.
The molecule C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)NC(=O)CN is a tripeptide composed of one glycine and two L-phenylalanine residues joined in sequence It has a role as a metabolite.
The molecule C1(=O)NC(=NC2=C1C(=CN2[C@@H]3O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]3O)CN[C@H]4C=C[C@@H]([C@@H]4O)O)N C1(=O)NC(=NC2=C1C(=CN2[C@@H]3O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]3O)CN[C@H]4C=C[C@@H]([C@@H]4O)O)N is major species at pH 7.3. It is also related to or classified as nucleoside 5'-monophosphate(2-)  .
The molecule C1=2C=3C(C(C1=CC(=CC2)OCCN(CC)CC)=O)=CC(=CC3)OCCN(CC)CC.Cl.Cl C1=2C=3C(C(C1=CC(=CC2)OCCN(CC)CC)=O)=CC(=CC3)OCCN(CC)CC.Cl.Cl is the dihydrochloride salt of tilorone. It is used as an antiviral drug to treat influenza, herpes infection, viral hepatitis, acute respiratory viral infections and SARS. It has the role of antineoplastic agent . It has the role of antiviral drug . It has the role of interferon inducer . It has the role of nicotinic acetylcholine receptor agonist . It has the role of anti-inflammatory agent . It is also related to or classified as hydrochloride .
The molecule C1CCC(C1)NC(=O)NC[C@@H]2[C@@H]([C@H](N2C(=O)C3CC3)CO)C4=CC=CC=C4 C1CCC(C1)NC(=O)NC[C@@H]2[C@@H]([C@H](N2C(=O)C3CC3)CO)C4=CC=CC=C4 is 1-cyclopentyl-3-[[(2S,3S,4S)-1-[cyclopropyl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]urea. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule C([C@H](C(=O)O)N)[S] is a cysteinyl radical derived from D-cysteine. It has a role as a fundamental metabolite. It is a D-amino acid radical and a cysteinyl radical. It derives from a D-cysteine. It is an enantiomer of a L-cysteinyl radical.
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(O2)O)O)O)O)O)O)O)O is a glycosylglucose formed by an alpha-(1->6)-linkage between D-galactose and D-glucose. It has a role as a plant metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite, a mouse metabolite and an elastin-laminin receptor agonist.
The molecule [H][C@@](C)(CCC[C@@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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@@]1([H])CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C [H][C@@](C)(CCC[C@@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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@@]1([H])CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C is A 3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl-CoA in which the carbon at position 25 of the steroidal side chain has R configuration. It is a conjugate acid of (25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl-CoA(4-) . It is also related to or classified as 3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl-CoA  .
The molecule C=1(C(=CC=2C=CC=CC2N1)C(O)=O)C=3NC([C@@](N3)(C)C(C)C)=O C=1(C(=CC=2C=CC=CC2N1)C(O)=O)C=3NC([C@@](N3)(C)C(C)C)=O is A 2-[4-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]quinoline-3-carboxylic acid that has R-configuration. It is the more active enantiomer of imazaquin. It has the role of herbicide . It is a conjugate acid of (R)-imazaquin(1-) . It is also related to or classified as 2-[4-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]quinoline-3-carboxylic acid  .
The molecule CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@H]([C@@H](C31)[C@@]5([C@@H]6[C@H]4C[C@@]([C@@H]6OC(=O)C7=CC=CC=C7)([C@H]([C@@H]5O)OC)O)OC(=O)C)OC)OC)COC is a diterpene alkaloid with formula C34H47NO10 that is isolated from several Aconitum species. It has a role as a plant metabolite. It is a benzoate ester, an acetate ester, a bridged compound, a diol, a diterpene alkaloid, an organic heteropolycyclic compound, a polyether, a secondary alcohol and a tertiary amino compound. It derives from a hydride of an aconitane.
The molecule C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3CCCCC3)[C@@H](C)CO)C)CN(C)C C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3CCCCC3)[C@@H](C)CO)C)CN(C)C is 1-cyclohexyl-3-[(3R,9S,10R)-9-[(dimethylamino)methyl]-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-16-yl]urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCCCCCCCCCCCCCC(=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 an acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (18Z,21Z,24Z,27Z,30Z,33Z)-hexatriacontahexaenoyl-CoA; major species at pH 7.3. It is a conjugate base of a (18Z,21Z,24Z,27Z,30Z,33Z)-hexatriacontahexaenoyl-CoA.
The molecule CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COP(O)(O)=O)NC(C)=O CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COP(O)(O)=O)NC(C)=O is A N-acylsphingosine 1-phosphate in which the N-acyl group is specified as acetyl. Its functional parent is N-acetylsphingosine . It is a conjugate acid of N-acetylsphingosine 1-phosphate(2-) . It is also related to or classified as N-acylsphingosine 1-phosphate  .
The molecule C(/C=C\C/C=C\C/C=C\CCCC([O-])=O)C(C(C/C=C\CC)O)=O C(/C=C\C/C=C\C/C=C\CCCC([O-])=O)C(C(C/C=C\CC)O)=O is 14-keto-15-hydroxy-(5Z,8Z,11Z,17Z)-icosatetraenoate(1-). It is also related to or classified as hydroxy fatty acid anion , oxo fatty acid anion , icosanoid anion .
The molecule CCN\\1C2=CC=CC=C2C(/C1=C\\C=C\\C3=[N+](C4=CC=CC=C4C3(C)C)CC)(C)C.[I-] is a C3 cyanine dye having 1-ethyl-3,3-dimethylindoleinine units at each end. It has a role as a fluorochrome. It is a cyanine dye and an organic iodide salt. It contains a C3-indocyanine cation.
The molecule [H]C1(OC(OC2C(O)C(N)C(O)OC2COC3OC(C)C(NC)C(OC4OC(C(=O)O)C(OC5OC(CO)C(O)C(O)C5NC(=O)C)C(NC(=O)C)C4NC(=O)C)C3NC(=O)C)C(O)C(O)C1O)C(O)CO [H]C1(OC(OC2C(O)C(N)C(O)OC2COC3OC(C)C(NC)C(OC4OC(C(=O)O)C(OC5OC(CO)C(O)C(O)C5NC(=O)C)C(NC(=O)C)C4NC(=O)C)C3NC(=O)C)C(O)C(O)C1O)C(O)CO is alpha-D-GlcNAcp-(1->4)-beta-D-(2,3-diNAc)ManAp-(1->3)-beta-L-(4NMe)FucNAcp-(1->6)-[L-alpha-D-Hepp-(1->4)]-alpha-D-GlcNp. It has the role of epitope . It has the role of bacterial metabolite . It is also related to or classified as acetamides , monocarboxylic acid , amino pentasaccharide .
The molecule CCOC1=CC=CC=C1OCCN[C@H](C)CC2=CC(=C(C=C2)OC)S(=O)(=O)N.Cl is a hydrochloride resulting from the reaction of equimolar amounts of tamulosin and hydrogen chloride. It has a role as an alpha-adrenergic antagonist and an antineoplastic agent. It contains a tamsulosin(1+). It is an enantiomer of an ent-tamsulosin hydrochloride.
The molecule CCCC1=NC=C(C(=N1)N)C[N+]2=CC=CC=C2C.[Cl-] is an organic chloride salt having 1-[(4-amino-2-propylpyrimidin-5-yl)methyl]-2-methylpyridin-1-ium as the counterion. Used for prevention of coccidiosis in poultry and cattle. It has a role as a coccidiostat. It is a pyridinium salt and an organic chloride salt. It contains an amprolium(1+).
The molecule C1=CC(=CC=C1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N is a ribose monophosphate that is 4-(beta-D-ribofuranosyl)aminobenzene carrying a single monophospate substituent at position 5'. It is a ribose monophosphate, a C-glycosyl compound and a substituted aniline. It is a conjugate acid of a 4-(beta-D-ribofuranosyl)aminobenzene 5'-phosphate(2-).
The molecule C12=C(NC(=O)N1)N=C(NC2=O)[O-] is a urate(1-). It is a conjugate base of a 7H-purine-2,6,8-triol. It is a conjugate acid of a 2,6,8-trioxo-3,6,8,9-tetrahydro-2H-purine-1,7-diide. It is a tautomer of a 6,8-dioxo-6,7,8,9-tetrahydro-1H-purin-2-olate, a 2,8-dihydroxy-1H-purin-6-olate and a 2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-olate.
The molecule CC1=NN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O is a N-glycosyl-1,2,4-triazine that is the 6-aza analogue of thymidine. It has a role as an antiviral agent and a Mycoplasma genitalium metabolite. It is a N-glycosyl-1,2,4-triazine and a nucleoside analogue. It derives from a 6-azathymine.
The molecule C(=C\C/C=C\C/C=C\C=C\[C@H](C/C=C\CC)OO)\CCCC([O-])=O C(=C\C/C=C\C/C=C\C=C\[C@H](C/C=C\CC)OO)\CCCC([O-])=O is (5Z,8Z,11Z,13E,15S,17Z)-15-hydroperoxy-5,8,11,13,17-eicosapentaenoate(1-). It is also related to or classified as icosanoid anion , hydroperoxy fatty acid anion .
The molecule C1=2C=3C(C(C1=CC(=CC2)OCC[NH+](CC)CC)=O)=CC(=CC3)OCC[NH+](CC)CC C1=2C=3C(C(C1=CC(=CC2)OCC[NH+](CC)CC)=O)=CC(=CC3)OCC[NH+](CC)CC is an ammonium ion derivative resulting from the protonation of the two tertiary amino groups of tilorone. It is a conjugate acid of tilorone . It is also related to or classified as ammonium ion derivative .
The molecule CCCCCCCCCCCCC\C=C\[C@H](O)[C@H]([NH3+])CO CCCCCCCCCCCCC\C=C\[C@H](O)[C@H]([NH3+])CO is A cationic sphingoid resulting from the protonation of the amino group of L-erythro-sphingosine; major species at pH 7.3. It is a conjugate acid of L-erythro-sphingosine . It is also related to or classified as cationic sphingoid .
The molecule CC/C=C\\C/C=C\\C[C@@H]([C@@H](/C=C/C=C/C=C\\C/C=C\\CCC(=O)[O-])SC[C@@H](C(=O)NCC(=O)[O-])[NH3+])O is a docosanoid anion obtained by deprotonation of the two carboxy groups and protonation of the glutamyl alpha-amino group of (13R)-S-cysteinylglycinyl-(14S)-hydroxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoic acid; major species at pH 7.3. It is a docosanoid anion and a peptide anion. It is a conjugate base of a (13R)-S-cysteinylglycinyl-(14S)-hydroxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoic acid.
The molecule C1=C(C2=C(N=CN=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)C#N is an N-glycosylpyrrolopyrimidine that is tubercidin in which the hydrogen at position 5 of the pyrrolopyrimidine moiety has been replaced by a cyano group. It has a role as an antimetabolite, an antineoplastic agent, a bacterial metabolite and an apoptosis inducer. It is a N-glycosylpyrrolopyrimidine, a nitrile, a ribonucleoside and an antibiotic antifungal agent.
The molecule CS(=O)(=O)OCCCCOS(=O)(=O)C is a methanesulfonate ester that is butane-1,4-diol in which the hydrogens of the hydroxy groups are replaced by methanesulfonyl groups. An alkylating antineoplastic agent, it is used for the treatment of chronic myeloid leukemia (although it has been largely replaced by newer drugs). It is also used as an insect sterilant. It has a role as an insect sterilant, an antineoplastic agent, a teratogenic agent, a carcinogenic agent and an alkylating agent. It derives from a butane-1,4-diol.
The molecule C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O)O is a kaempferol O-glucuronide that is kaempferol with a beta-D-glucosiduronic acid residue attached at the 7-position. It has a role as a metabolite. It is a kaempferol O-glucuronide and a trihydroxyflavone.
The molecule C([O-])(=O)CCCCCCC/C=C\[C@@H]1[C@H]([C@@H](C[C@]1([C@H](CC)O)[H])O)O C([O-])(=O)CCCCCCC/C=C\[C@@H]1[C@H]([C@@H](C[C@]1([C@H](CC)O)[H])O)O is plasmodiophorol C(1-). It is also related to or classified as octadecanoid anion , hydroxy fatty acid anion .
The molecule [H][C@@](C)(CCC[C@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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@@]1([H])CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C [H][C@@](C)(CCC[C@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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@@]1([H])CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C is A 3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl-CoA in which the carbon at position 25 of the steroidal side chain has S configuration. It has the role of human metabolite . It is a conjugate acid of (25S)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl-CoA(4-) . It is also related to or classified as 3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl-CoA  .
The molecule CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO)NC(C)=O CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO)NC(C)=O is A N-acylsphingosine that has an acetamido group at position 2. It is also related to or classified as N-acylsphingosine  .
The molecule COC1=CC=C(C=C1)CC(C#N)/C(=C/C2=CC=C(C=C2)OC)/C#N is a dinitrile that is butanedinitrile substituted by 4-methoxybenzyl and 4-methoxybenzylidene groups at positions 2 and 3 respectively. Isolated from the culture broth of the fungus Neosartorya fischeri, it exhibits antifungal activity. It has a role as a metabolite and an antifungal agent. It is a monomethoxybenzene and a dinitrile.
The molecule C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCCN(C)C)[C@H](C)CO)C)CN(C)C(=O)C3=CC=CC=C3 C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCCN(C)C)[C@H](C)CO)C)CN(C)C(=O)C3=CC=CC=C3 is N-[[(3S,9S,10S)-16-[[4-(dimethylamino)-1-oxobutyl]amino]-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]-N-methylbenzamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC(C)[C@H]1C[C@@H]([C@@]2(CO2)[C@H]3[C@@H]1[C@@H]4[C@](CC[C@@H](C(=C)C[C@H]3O4)O)(C)OC(=O)C)OC(=O)C is an eunicellin diterpenoid isolated from the soft coral Klyxum molle. It has a role as an anti-inflammatory agent and a coral metabolite. It is an acetate ester, a eunicellin diterpenoid, a macrocycle, an oxacycle and an epoxide.
The molecule CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4[C@@]3(CCC(C4)O)C)C is a C21-steroid that is pregnane substituted by an oxo group at position 20 and a hydroxy group at position 3. It is a 20-oxo steroid, a 3-hydroxy steroid and a C21-steroid. It derives from a hydride of a pregnane.
The molecule C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)[S-])[S-])OP(=O)([O-])[O-].O=[Mo+2]=S is an organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of Mo(=O)(=S)-molybdopterin cofactor; major species at pH 7.3. It is a conjugate base of a Mo(=O)(=S)-molybdopterin cofactor.
The molecule C([O-])(=O)CCCCCCC/C=C\[C@@H]1[C@@H]2[C@@H](C[C@]1([C@H](CC)O2)[H])O C([O-])(=O)CCCCCCC/C=C\[C@@H]1[C@@H]2[C@@H](C[C@]1([C@H](CC)O2)[H])O is plasmodiophorol B(1-). It is also related to or classified as octadecanoid anion , epoxy fatty acid anion , hydroxy fatty acid anion .
The molecule C[C@H]1C(=O)N(CC[C@@H]2CC[C@H]([C@@H](O2)COC3=C(C=CC=C3C(=O)N1C)C#N)OC)C C[C@H]1C(=O)N(CC[C@@H]2CC[C@H]([C@@H](O2)COC3=C(C=CC=C3C(=O)N1C)C#N)OC)C is LSM-40564. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O)O)N)O)O)N.OS(=O)(=O)O is the aminoglycoside sulfate salt that is the sulfate salt of neomycin B; a component of neomycin sulfate. It contains a framycetin.
The molecule C1[C@H]([C@H]([C@H](O[C@]1(C(=O)[O-])O)[C@@H](CO)O)O)O is a carbohydrate acid anion obtained by deprotonation of the carboxy group of 3-deoxy-alpha-D-manno-oct-2-ulosonic acid; major species at pH 7.3. It is a monocarboxylic acid anion and a carbohydrate acid anion. It is a conjugate base of a 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid.
The molecule C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[C@H](C)CO)C)CN(C)CC3=CC=NC=C3 C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[C@H](C)CO)C)CN(C)CC3=CC=NC=C3 is 4,4,4-trifluoro-N-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC is a phosphatidylcholine O-36:0 in which the alkyl and acyl groups specified at positions 1 and 2 are octadecyl and octadecanoyl respectively. It is a 2-acyl-1-alkyl-sn-glycero-3-phosphocholine and a phosphatidylcholine O-36:0. It derives from an octadecanoic acid.
The molecule N=1N(C(=C(C(C1)=O)C(=O)[O-])CC)C2=CC=C(C=C2)Cl N=1N(C(=C(C(C1)=O)C(=O)[O-])CC)C2=CC=C(C=C2)Cl is A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of clofencet. It is also related to or classified as monocarboxylic acid anion  .
The molecule C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC4=CC=CC=C43)[C@H](C)CO)C)CNC C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC4=CC=CC=C43)[C@H](C)CO)C)CNC is 1-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(1-naphthalenyl)urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C1COC(=O)C1[NH3+] is the conjugate acid of homoserine lactone; major species at pH 7.3. It is an ammonium ion derivative and an organic cation. It is a conjugate acid of a homoserine lactone.
The molecule C([O-])(=O)CCCCCCC/C=C\[C@@H]1[C@@H]2[C@H](C[C@]1([C@H](CC)O)[H])O2 C([O-])(=O)CCCCCCC/C=C\[C@@H]1[C@@H]2[C@H](C[C@]1([C@H](CC)O)[H])O2 is plasmodiophorol A(1-). It is also related to or classified as octadecanoid anion , epoxy fatty acid anion , hydroxy fatty acid anion .
The molecule CCCCCCCCCCCCCCC[C@H](C)C(=O)O is a methyl-branched fatty acid that is heptadecanoic (margaric) acid bearing a methyl substituent at position 2 (the S-enantiomer). It is a methyl-branched fatty acid, a branched-chain saturated fatty acid and a long-chain fatty acid. It derives from a heptadecanoic acid. It is a conjugate acid of a (2S)-2-methylheptadecanoate.
The molecule CCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCC/C=C\\CCCCCCCC is a 1,2-diglyceride in which the acyl groups at positions 1 and 2 are specified as decanoyl and oleoyl respectively. It derives from an oleic acid.
The molecule CC(=O)C[C@H](C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)[O-].[Na+] is an organic sodium salt having 2-oxo-3-[(1R)-3-oxo-1-phenylbutyl]-2H-1-benzopyran-4-olate as the counterion (the racemate is warfarin sodium, an anticoagulant drug and rodenticide). It contains a (R)-warfarin(1-). It is an enantiomer of a (S)-warfarin sodium.
The molecule C1=CC=C(C=C1)/C=C/C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC3=C2N=CC=C3 is a member of the class of quinolines that is a mixed aminal resulting from the formal condensation oftrichloroacetaldehyde with the amide nitrogen of trans-cinnamamide and the primary amino group of 1-quinolin-8-ylthiourea. It is a selective inhibitor of cellular complexes that dephosphorylate eukaryotic translation initiation factor 2 subunit alpha (eIF2alpha). It is a member of quinolines, a member of thioureas, an aminal, an organochlorine compound and a secondary carboxamide. It derives from a trichloroacetaldehyde and a trans-cinnamamide.
The molecule [C@@H]1([C@@H](C[C@]([C@@H]1/C=C\C/C=C\C/C=C\CCCC([O-])=O)([C@H](CC)O)[H])O)O [C@@H]1([C@@H](C[C@]([C@@H]1/C=C\C/C=C\C/C=C\CCCC([O-])=O)([C@H](CC)O)[H])O)O is ectocarpin D(1-). It is also related to or classified as hydroxy fatty acid anion , icosanoid anion .
The molecule N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O is A tripeptide composed of one L-arginine and two L-aspartic acid units joined in sequence by peptide linkages. Its functional parent is L-arginine . Its functional parent is L-aspartic acid . It is also related to or classified as tripeptide  .
The molecule CSCC(=O)O is a sulfur-containing carboxylic consisting of thioglycolic acid carrying an S-methyl substituent. It has a role as a xenobiotic metabolite. It is a sulfur-containing carboxylic acid, a monocarboxylic acid and a methyl sulfide. It derives from a thioglycolic acid. It is a conjugate acid of a (methylthio)acetate.