mingxuzhang/ChEBI-Augmented huggingface dataset:
The molecule <smiles>CC[C@H](C)\C=C\C1=CC2=C(Cl)C(=O)[C@@]3(C)OC(=O)C(C(=O)[C@@H](C)[C@H](C)O)=C3C2=CO1</smiles> is an  azaphilone that is the 5'-epimer of chaetoviridin A. It has been isolated from Chaetomium globosum. It has the role of Chaetomium metabolite.  It is also related to or classified as secondary alcohol . It is also related to or classified as organochlorine compound . It is also related to or classified as gamma-lactone .  It is also related to or classified as enone . It is also related to or classified as organic heterotricyclic compound, azaphilone, beta-hydroxy ketone.
The molecule <smiles>CCCCC\C=C/C[C@@H](OO)\C=C\C=C/C\C=C/CCCC(O)=O</smiles> is A HPETE that is (5Z,8Z,10E,12R,14Z)-icosa-5,8,10,14-tetraenoic acid with the hydroperoxy group located at position 12 (the R-enantiomer). It has the role of mouse metabolite. Its functional parent is icosa-5,8,10,14-tetraenoic acid. It is a conjugate acid of 12(R)-HPETE(1-). It is also related to or classified as HPETE.
The molecule <smiles>[2H][C@@](C(=O)O)(C([2H])([2H])[2H])N</smiles> is a deuterated compound that is L-alanine in which the alpha-hydrogen and the three methyl hydrogens are replaced by deuterium. It is a L-alpha-amino acid, an alanine and a deuterated compound.
The molecule <smiles>CC[C@H](C)\C=C\C1=CC2=C(Cl)C(=O)[C@@]3(C)OC(=O)C(C(=O)C(\C)=C\C)=C3C2=CO1</smiles> is an  azaphilone that is 6H-furo[2,3-h]isochromene-6,8(6aH)-dione substituted by a chloro group at position 5, a methyl group at position 6a, a 2-methylbut-2-enoyl group at position 9 and a 3-methylpent-1-en-1-yl group at position 3. It has been isolated from Chaetomium globosum. It has the role of Chaetomium metabolite.  It is also related to or classified as organochlorine compound . It is also related to or classified as gamma-lactone .  It is also related to or classified as enone . It is also related to or classified as organic heterotricyclic compound, azaphilone.
The molecule <smiles>CC1=C2C(=CC(=C1C(=O)O)O)C(=O)C3=C(C2=O)C(=C(C(=C3O)[O-])[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)[O-]</smiles> is a monocarboxylic acid anion obtained from the deprotonation of the 3-hydroxy and 7-carboxy groups of carminic acid. Major species at pH 7.3. It is a monocarboxylic acid anion and a phenolate anion. It is a conjugate base of a carminic acid.
The molecule <smiles>C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)[C@@H](C)CO)C)CN(C)C(=O)CCC(F)(F)F</smiles> is N-[[(3S,9S,10R)-16-(benzenesulfonamido)-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]-4,4,4-trifluoro-N-methylbutanamide. It is also related to or classified as lactam . It is also related to or classified as azamacrocycle.
The molecule <smiles>NC1CSNC1=O</smiles> is A thiazolidinone that is 1,2-thiazolidin-3-one bearing an amino substituent at position 4. Its functional parent is 1,2-thiazolidine. It is also related to or classified as thiazolidinone.
The molecule <smiles>[C@@]12(O[C@@]3(C(C(Cl)=C4C([C@]3([H])[C@]1(C(O[C@@H]([C@H]2C)C)=O)[H])=COC(=C4)/C=C/C(CC)C)=O)C)O</smiles> is an organic heterotetracyclic compound with formula C23H27ClO6 isolated from Chaetomium globosum. It exhibits antifungal activity against plant pathogenic fungi. It has the role of antifungal agent. It has the role of Chaetomium metabolite. It is also related to or classified as delta-lactone . It is also related to or classified as organochlorine compound . It is also related to or classified as lactol .  It is also related to or classified as enone . It is also related to or classified as organic heterotetracyclic compound.
The molecule <smiles>CC1=C(C2=CC3=NC(=CC4=C(C(=C(N4)C=C5[C@]6([C@H](C(=CC=C6C(=N5)C=C1N2)C(=O)OC)C(=O)OC)C)C)CCC(=O)OC)C(=C3C)CCC(=O)O)C=C</smiles> is the 2(1),2(2),17-trimethyl ester of (2S,2(1)R)-2(1),2(2)-dicarboxy-8-ethenyl-2,7,12,18-tetramethyl-2,2(1)-dihydrobenzo[b]porphyrin-13,17-dipropanoic acid. It is a beta-substituted porphyrin, a carboxylic acid and a methyl ester. It derives from a (2S,2(1)R)-2(1),2(2)-dicarboxy-8-ethenyl-2,7,12,18-tetramethyl-2,2(1)-dihydrobenzo[b]porphyrin-13,17-dipropanoic acid. It is an enantiomer of a (2R,2(1)S)-8-ethenyl-2(1),2(2)-bis(methoxycarbonyl)-17-(3-methoxy-3-oxopropyl)-2,7,12,18-tetramethyl-2,2(1)-dihydrobenzo[b]porphyrin-13-propanoic acid.
The molecule <smiles>C(CCCCC)(=O)C1=C(C(=C(C(=C1O)Cl)OC)Cl)O</smiles> is A differentiation-inducing factor that is hexaphenone bearing two chloro substituents at positions 3 and 5, two hydroxy substituents at positions 2 and 6 as well as a single methoxy substituent at position 4. A secreted, chlorinated molecule that controls cell fate during development of Dictyostelium cells. It has the role of signalling molecule. It has the role of eukaryotic metabolite. Its functional parent is (3,5-dichloro-2,4,6-trihydroxyphenyl)hexan-1-one. It is a conjugate acid of 1-(3,5-dichloro-2,6-dihydroxy-4-methoxyphenyl)hexan-1-one(1-). It is also related to or classified as dichlorobenzene . It is also related to or classified as monomethoxybenzene, resorcinols, differentiation-inducing factor.
The molecule <smiles>CC[C@H](C)\C=C\C1=CC2=C(Cl)C(=O)[C@@]3(C)OC(=O)C(C(=O)[C@@H](C)[C@@H](C)O)=C3C2=CO1</smiles> is an  azaphilone  that is 6H-furo[2,3-h]isochromene-6,8(6aH)-dione substituted by a chloro group at position 5, a 3-hydroxy-2-methylbutanoyl group at position 9, a methyl group at position 6a and a 3-methylpent-1-en-1yl group at position 3. Isolated from Chaetomium globosum, it exhibits natifungal activity against plant pathogenic fungi. It has the role of antifungal agent. It has the role of Chaetomium metabolite.  It is also related to or classified as secondary alcohol . It is also related to or classified as organochlorine compound . It is also related to or classified as gamma-lactone .  It is also related to or classified as enone . It is also related to or classified as organic heterotricyclic compound, azaphilone, beta-hydroxy ketone.
The molecule <smiles>N[C@@H](CCCNC(N)=O)C(O)=O</smiles> is the L-enantiomer of citrulline. It has the role of micronutrient. It has the role of protective agent. It has the role of nutraceutical. It has the role of EC 1.14.13.39 (nitric oxide synthase) inhibitor. It has the role of mouse metabolite. It has the role of Saccharomyces cerevisiae metabolite. It has the role of Escherichia coli metabolite. It has the role of human metabolite. It is also related to or classified as citrulline .
The molecule <smiles>C[C@]12CC[C@@H]([C@@]([C@@H]1[C@@H](C[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)O)(C)CO)O</smiles> is a triterpenoid saponin that is the monosaccharide derivative of (3beta,6beta)-3,6,23-trihydroxyolean-12-en-28-oic acid. It has been isolated from the stem bark of Kalopanax pictus. It has a role as an anti-inflammatory agent and a plant metabolite. It is a triterpenoid saponin, a pentacyclic triterpenoid, a beta-D-glucoside, a monosaccharide derivative, a carboxylic ester and a triol. It derives from a hydride of an oleanane.
The molecule <smiles>CCCCCCC[C@@H](C\C=C\CCC(O)=O)OC</smiles> is Lyngbic acid. It has the role of metabolite. It is also related to or classified as long-chain fatty acid .
The molecule <smiles>C[C@@H]1O[C@@H](O[C@@H]2[C@@H](NC(C)=O)[C@H](O)O[C@H](CO)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)[C@H](O[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)[C@H]2NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O</smiles> is A branched amino hexasaccharide derivative that is alpha-D-Man-(1->3)-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-beta-D-GlcNAc in which the two GlcNAc residues each carry an alpha-L-Fuc residue via a (1->3) linkage. It is also related to or classified as glucosamine oligosaccharide, amino hexasaccharide.
The molecule <smiles>CCCCCC(CC(=O)[O-])O</smiles> is a 3-hydroxy fatty acid anion that is the conjugate base of 3-hydroxyoctanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a 3-hydroxy fatty acid anion and a hydroxyoctanoate. It is a conjugate base of a 3-hydroxyoctanoic acid.
The molecule <smiles>COC(\C=C\CO)=C\C(=O)N1[C@@H](C)C=CC1=O</smiles> is Palmyrrolinone. It has the role of metabolite. It is also related to or classified as dicarboximide .
The molecule <smiles>C[C@@H]1O[C@@H](O[C@@H]2[C@@H](NC(C)=O)[C@H](O[C@H]3[C@H](O)[C@@H](NC(C)=O)[C@H](O)O[C@@H]3CO)O[C@H](CO)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O</smiles> is A branched amino tetrasaccharide that is beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-beta-D-GlcpNAc in which the N-acetyl-beta-D-glucosaminyl residue distal to the reducing end carries an alpha-L-fucosyl residue via a (1->3) linkage. It is also related to or classified as glucosamine oligosaccharide, amino tetrasaccharide.
The molecule <smiles>C[C@@H]1C(=O)[C@@H]([C@H]([C@H](O1)OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O</smiles> is dianion of dTDP-4-dehydro-6-deoxy-alpha-D-glucose arising from deprotonation of the diphosphate OH groups; major species at pH 7.3. It is an intermediate in dTDP-rhamnose biosynthesis. It has a role as a human metabolite. It is a conjugate base of a dTDP-4-dehydro-6-deoxy-alpha-D-glucose.
The molecule <smiles>COC1=CC(=O)S[C@@H](CO)C1</smiles> is Thiopalmyrone. It has the role of metabolite. It is also related to or classified as organosulfur heterocyclic compound.
The molecule <smiles>C1(=NC(=NN1)N)N</smiles> is an aromatic amine that is 1,2,4-triazole substituted at positions 3 and 5 by amino groups. It has a role as an antineoplastic agent, an EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor and a DNA synthesis inhibitor. It is a member of triazoles and an aromatic amine.
The molecule <smiles>C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@H](C)CO)C)CN(C)CC4=CC=C(C=C4)C(F)(F)F</smiles> is N-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide. It is also related to or classified as lactam . It is also related to or classified as azamacrocycle.
The molecule <smiles>C1COCCC1C(=O)N2CC3(C2)[C@@H]([C@@H](N3CCC(F)(F)F)CO)C4=CC=CC=C4</smiles> is [(2R,3R)-2-(hydroxymethyl)-3-phenyl-1-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptan-6-yl]-(4-oxanyl)methanone. It is also related to or classified as benzenes, ring assembly, azetidines.
The molecule <smiles>O=C1C2=C(C=CC=C2)C2=C3C(C=CN=C13)=CC=N2</smiles> is A copyrine alkaloid with formula C15H8N2O, extracted from several plants including the stem bark of Cananga odorata. It is a heme biosynthesis inhibitor and exhibits antifungal and anticancer properties. It has the role of antifungal agent. It has the role of plant metabolite. It is also related to or classified as alkaloid . It is also related to or classified as organic heterotetracyclic compound.
The molecule <smiles>CC1=C(C(=CC=C1)C)N([C@H](C)C(=O)OC)C(=O)C2=CC=CO2</smiles> is a methyl N-(2,6-dimethylphenyl)-N-2-furoylalaninate that has R configuration. It is a methyl N-(2,6-dimethylphenyl)-N-2-furoylalaninate and a D-alanine derivative. It is an enantiomer of a (S)-furalaxyl.
The molecule <smiles>c1ccc-2c(c1)-c1nccc3ccnc-2c13</smiles> is Eupolauridine. It has the role of metabolite. It is also related to or classified as naphthyridine derivative.
The molecule <smiles>S([C@]1(N(C(=O)[C@@](OC)(CC=2C3=C(C=CC=C3)NC2)NC1=O)C)CO)C</smiles> is Chetocochliodin A. Its functional parent is alpha-amino acid. It is also related to or classified as organonitrogen compound, organooxygen compound.
The molecule <smiles>C1COCCN1[C@@H]2[C@H]([C@H](CC2=O)OCC3=CC=C(C=C3)C4=CC=CC=C4)CC/C=C\\CCC(=O)O</smiles> is a (4Z)-7-{5-[([1,1'-biphenyl]-4-yl)methoxy]-2-(morpholin-4-yl)-3-oxocyclopentyl}hept-4-enoic acid in which the stereocentres at positions 1, 2 and 5 have R-, R- and S-configuration respectively. It is a conjugate acid of a (1R,2R,5S)-AH23848(1-). It is an enantiomer of a (1S,2S,5R)-AH23848.
The molecule <smiles>ONC(=O)CP(O)(O)=O</smiles> is the hydroxamate of phosphonoacetic acid. Its functional parent is acetic acid. It is also related to or classified as hydroxamic acid, organic phosphonate.
The molecule <smiles>OC(=O)[C@H]1CSCN1</smiles> is an optically active version of thioproline having D-configuration. It has the role of antioxidant. It is also related to or classified as D-alpha-amino acid . It is also related to or classified as thioproline .
The molecule <smiles>[O-][n+]1ccc2ccnc3-c4ccccc4-c1c23</smiles> is Eupolauridine N-oxide. It has the role of metabolite. It is also related to or classified as naphthyridine derivative.
The molecule <smiles>CCCCCCCC/C=C\\C/C=C\\C=C\\[C@H](CCCC(=O)O)O</smiles> is a 5-HETrE consisting of (6E,8Z,11Z)-icosatrienoic acid in which the 5-hydroxy group has S-configuration. It has a role as a human xenobiotic metabolite.
The molecule <smiles>O[As](=O)([O-])[O-].[Na+].[Na+]</smiles> is an inorganic sodium salt composed from sodium cations and arsenate dianions in a 2:1 ratio. It has a role as a poison. It contains an arsenate(2-).
The molecule <smiles>[O-]S(C[C@H]([C@@H](O)C=O)O)(=O)=O</smiles> is dOI: 10.1021/acscatal.1c04321. Its functional parent is D-erythrose. It is also related to or classified as alkanesulfonate oxoanion .
The molecule <smiles>COc1cccc2C(=O)c3nccc4ccnc(-c12)c34</smiles> is 11-Methoxysampangine. It has the role of metabolite. It is also related to or classified as alkaloid .
The molecule <smiles>C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)[O-])O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O</smiles> is a flavonoid oxoanion obtained by deprotonation of the 5-hydroxy group of genistein 7-O-beta-D-glucoside. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is a conjugate base of a genistein 7-O-beta-D-glucoside.
The molecule <smiles>COc1cc(cc(OC)c1O)\C=C\CO</smiles> is sinapyl alcohol in which the configuration of the propenyl double bond is E.  It is one of the main monolignols. It has the role of monolignol. It is also related to or classified as sinapyl alcohol .
The molecule <smiles>COc1ccc-2c(c1)-c1[n+]([O-])ccc3ccnc-2c13</smiles> is 9-Methoxyeupolauridine 1-oxide. It has the role of metabolite. It is also related to or classified as naphthyridine derivative.
The molecule <smiles>CCCNC(=O)N(C)C[C@@H]1[C@H]([C@@H](N1)CO)C2=CC=C(C=C2)C3=CCCCC3</smiles> is 1-[[(2S,3R,4R)-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-1-methyl-3-propylurea. It is also related to or classified as benzenes, ring assembly, azetidines.
The molecule <smiles>C[C@@H](C(=O)CCC(C)C)[C@]1([C@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)O[C@H]6[C@@H]([C@H]([C@H](CO6)O)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)OC(=O)C8=CC(=C(C=C8)OC)OC)OC(=O)C)O</smiles> is a steroid saponin that is 3,16,17-trihydroxycholest-5-en-22-one attached to a beta-D-glucopyranosyl residue at position 3 and a 2-O-acetyl-3-O-[2-O-(3,4-dimethoxybenzoyl)-beta-D-xylopyranosyl]-alpha-L-arabinopyranosyl residue at position 16 via a glycosidic linkage. Isolated from Ornithogalum thyrsoides and Galtonia candicans, it exhibits antineoplastic activity. It has a role as a metabolite and an antineoplastic agent. It is a beta-D-glucoside, an acetate ester, a benzoate ester, a cholestanoid, a steroid saponin and a 17-hydroxy steroid. It derives from a 3,4-dimethoxybenzoic acid.
The molecule <smiles>OC\C=C\c1ccc(O)cc1</smiles> is 4-Hydroxycinnamyl alcohol with E-configuration of the propenyl double bond. It is one of the main monolignols. It has the role of monolignol. Its functional parent is (E)-cinnamyl alcohol.  It is also related to or classified as 4-hydroxycinnamyl alcohol . It is also related to or classified as phenols . It is also related to or classified as phenylpropanoid.
The molecule <smiles>S1S[C@@H]2[C@H](O)[C@H]3N4[C@]1(C(=O)N5[C@@H]6[C@@H](O)[C@@H](OC)[C@@H]7S[C@@]5(C4=O)C[C@H]6C7=O)C[C@H]3C(C2)=O</smiles> is Amphiepicoccin G. Its functional parent is alpha-amino acid. It is also related to or classified as organonitrogen compound, organooxygen compound.
The molecule <smiles>Oc1ccc-2c(c1)-c1nccc3ccnc-2c13</smiles> is 8-Hydroxyeupolauridine. It has the role of metabolite. It is also related to or classified as naphthyridine derivative.
The molecule <smiles>CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)(O)OP(=O)(O)OP(=O)(O)O</smiles> is a thiamine phosphate having an O-triphosphate moiety. It has a role as a mouse metabolite. It is a conjugate acid of a thiamine(1+) triphosphate(1-) and a thiamine(1+) triphosphate(4-).
The molecule <smiles>C[C@@H](Nc1ccc(C[C@H](O)[C@H](O)[C@H](O)CO[C@H]2O[C@H](COP([O-])(=O)O[C@@H](CCC([O-])=O)C(=O)N[C@@H](CCC([O-])=O)C(=O)N[C@@H](CC([O-])=O)C([O-])=O)[C@@H](O)[C@H]2O)cc1)c1c[nH]c2nc(N)nc(=O)c2n1</smiles> is the organophosphate oxoanion and tetracarboxylic acid anion formed from tatiopterin by loss of a proton from the phospho group and from each of the four carboxy groups; major microspecies present at pH 7.3. It is also related to or classified as tetracarboxylic acid anion, organophosphate oxoanion.
The molecule <smiles>CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O</smiles> is A pentacyclic triterpenoid that is  betulinic acid carrying an additional  alpha-hydroxy group at position 2. It has been isolated from Breynia fruticosa. It has the role of plant metabolite. Its functional parent is betulinic acid. It is also related to or classified as pentacyclic triterpenoid, dihydroxy monocarboxylic acid.
The molecule <smiles>N[C@@H](CCSC[C@H](N)C(O)=O)C(O)=O</smiles> is A modified amino acid generated by enzymic means from L-homocysteine and L-serine. It has the role of mouse metabolite. It has the role of Saccharomyces cerevisiae metabolite. It has the role of Escherichia coli metabolite. It has the role of human metabolite. It is also related to or classified as cystathionine .
The molecule <smiles>CN1CCCC2=CC=CC=C21</smiles> is a tertiary amine consisting of 1,2,3,4-tetrahydroquinoline having an N-methyl substituent. It is a member of quinolines and a tertiary amine.
The molecule <smiles>[H][C@]12N[C@@H](C)C(=O)N1c1ccccc1[C@@]21C[C@@H]2C(=O)N[C@@](C)(O1)c1nc3ccccc3c(=O)n21</smiles> is A fumiquinazoline obtained by oxidative spirocyclisation of fumiquinazoline A. It is also related to or classified as azaspiro compound, oxaspiro compound, organic heteroheptacyclic compound, fumiquinazoline, imidazoindole.
The molecule <smiles>Cl.CN1CCCCC1C(=O)Nc1c(C)cccc1C</smiles> is the hydrochloride salt of mepivacaine. It is used as a local anaesthetic. It has the role of local anaesthetic. Its functional parent is mepivacaine. It is also related to or classified as hydrochloride, piperidinecarboxamide.
The molecule <smiles>OC(=O)CC(C(O)=O)C(=O)C(O)=O</smiles> is A tricarboxylic acid consisting of 2-oxoglutaric acid having a further carboxy group at the 3-position. It is a substrate of the citric acid cycle. It has the role of fundamental metabolite. Its functional parent is 2-oxoglutaric acid. It is a conjugate acid of oxalatosuccinate(3-). It is also related to or classified as tricarboxylic acid.
The molecule <smiles>CC(=C)CSC1=NC2=C(C3=CC=CC=C3N2)N=N1</smiles> is a triazinoindole that is 5H-[1,2,4]triazino[5,6-b]indole which is substituted at position 3 by a (2-methylprop-2-en-1-yl)thio group. A potent inhibitor of midasin which is an essential protein for eukaryotic ribosome biogenesis. It is a triazinoindole and an organic sulfide.
The molecule <smiles>CCC(=O)N1CC2(C1)[C@@H]([C@@H](N2CC3CCCC3)CO)C4=CC=C(C=C4)C=CC</smiles> is LSM-42461. It is also related to or classified as benzenes, ring assembly, azetidines.
The molecule <smiles>C[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)n2c1nc1ccccc1c2=O</smiles> is A fumiquinazoline that consists of pyrazino[2,1-b]quinazoline-3,6(1H,4H)-dione bearing a methyl substituent at position 1 and an indol-3-yl group at position 4. It is also related to or classified as indoles, fumiquinazoline, pyrazinoquinazoline.
The molecule <smiles>CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)[C@H](O)C[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12</smiles> is A pentacyclic triterpenoid that is lup-20(29)-ene substituted by hydroxy groups at positions 1 and 3 respectively (the 1beta,3beta-stereoisomer). It has been isolated from Breynia fruticosa. It has the role of plant metabolite. It is also related to or classified as diol . It is also related to or classified as pentacyclic triterpenoid.
The molecule <smiles>CS(=O)(=O)N1CCCCN2[C@@H](C1)[C@H]([C@@H]2CO)C3=CC=C(C=C3)C4=CC=CC(=C4)C#N</smiles> is 3-[4-[(8R,9R,10R)-10-(hydroxymethyl)-6-methylsulfonyl-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]benzonitrile. It is also related to or classified as nitrile . It is also related to or classified as biphenyls.
The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCCCC[C@H]([C@@H](CCCCCCCCCCCCCCC1CC1CCCCCCCCCCCCCCCCCCCC(C(C)CCCCCCCCCCCCCCCCCC)OC)O)C(=O)OCC(CO)O</smiles> is a mycolate ester formed by esterification of (2R)-2-{(1R)-1-hydroxy-15-[2-(20-methoxy-21-methylnonatriacontyl)cyclopropyl]pentadecyl}hexacosanoic acid with the 1-OH of glycerol. It has a role as an antigen. It derives from a glycerol and a (2R)-2-{(1R)-1-hydroxy-15-[2-(20-methoxy-21-methylnonatriacontyl)cyclopropyl]pentadecyl}hexacosanoic acid.
The molecule <smiles>[H][C@]12N[C@@H](C)C(=O)N1c1ccccc1[C@@]2(O)C[C@@H]1C(=O)N[C@@H](C)c2nc3ccccc3c(=O)n12</smiles> is A fumiquinazoline that consists of imidazoindole and pyrazinoquinazoline units connected by a methylene group. It is also related to or classified as fumiquinazoline, imidazoindole, pyrazinoquinazoline.
The molecule <smiles>N[C@@H](CC1=CC=C(C=C1)C(=O)C1=CC=CC=C1)C(O)=O</smiles> is an L-phenylalanine derivative that is L-phenylalanine substituted by a benzoyl group at position 4. It is a photoreactive unnatural amino acid that acts as a photo cross-linking probe when incorporated into proteins. It is also related to or classified as benzenes, aromatic ketone, L-phenylalanine derivative.
The molecule <smiles>CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)[C@H](O)C[C@@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12</smiles> is A pentacyclic triterpenoid that is lup-20(29)-ene substituted by hydroxy groups at positions 1 and 3 respectively (the 1beta,3alpha-stereoisomer). It has been isolated from Breynia fruticosa. It has the role of plant metabolite. It is also related to or classified as diol . It is also related to or classified as pentacyclic triterpenoid.
The molecule <smiles>CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCCC[C@H](CC(=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)O</smiles> is an unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (3R,10Z,13Z,16Z,19Z,22Z,25Z)-3-hydroxyoctacosahexaenoic acid. It is a (R)-3-hydroxyacyl-CoA, a 3-hydroxy fatty acyl-CoA, an unsaturated fatty acyl-CoA and an ultra-long-chain fatty acyl-CoA. It is a conjugate acid of a (3R,10Z,13Z,16Z,19Z,22Z,25Z)-3-hydroxyoctacosahexaenoyl-CoA(4-).
The molecule <smiles>CN1CC[C@@H]2CC[C@H]([C@H](O2)COC3=C(C=CC=C3C(=O)N(C[C@@H](CC1=O)C4=CC=CC=C4)C)C#N)OC</smiles> is LSM-42486. It is also related to or classified as lactam . It is also related to or classified as azamacrocycle.
The molecule <smiles>CC=CC1=CC=C(C=C1)[C@@H]2[C@H](N([C@@H]2CO)C(=O)C)CN(C(C)C)C(=O)COC</smiles> is LSM-42484. It is also related to or classified as benzenes, ring assembly, azetidines.
The molecule <smiles>CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)[C@H](O)CC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12</smiles> is A  pentacyclic triterpenoid that is lup-20(29)-ene substituted by a beta-hydroxy group at position 1 and an oxo group at position 3. It has been isolated from Breynia fruticosa. It has the role of plant metabolite.  It is also related to or classified as secondary alcohol . It is also related to or classified as pentacyclic triterpenoid, cyclic terpene ketone.