mingxuzhang/ChEBI-Augmented huggingface dataset:
The molecule <smiles>O([C@H]1[C@@H](OS(O)(=O)=O)[C@H](OC(O)[C@@H]1NC(=O)C)CO)[C@@H]2O[C@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O</smiles> is an oligosaccharide sulfate consisting of alpha-L-pyranuronosyl and 2-acetamido-2-deoxy-4-O-sulfo-D-galactopyranose residues joined in sequence by a (1->3) glycosidic bond. It is also related to or classified as acetamides, amino disaccharide, oligosaccharide sulfate.
The molecule <smiles>[C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(CC(C(=O)[O-])O)=O)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O</smiles> is an omega-carboxyacyl-CoA(5-) obtained by deprotonation of the phosphate, diphosphate and carboxy groups of any 3-carboxy-3-hydroxypropanoyl-CoA; major species at pH 7.3. It is also related to or classified as omega-carboxy-(fatty acyl)-CoA(5-) . It is also related to or classified as monocarboxylic acid anion .
The molecule <smiles>ClC=C</smiles> is A monohaloethene that is ethene in which one of the hydrogens has been replaced by a chloro group. It has the role of carcinogenic agent. It is also related to or classified as gas molecular entity, chloroethenes, monohaloethene.
The molecule <smiles>Cc1c(NO)cc(N)cc1[N+]([O-])=O</smiles> is A member of the class of amino-nitrotoluenes that is 4-amino-6-nitrotoluene bearing an additional hydroxylamino group at position 2. It has the role of xenobiotic metabolite. It is also related to or classified as amino-nitrotoluene, hydroxylamines.
The molecule <smiles>C[C@H](O)[C@H](O)CC(=O)C([O-])=O</smiles> is A carbohydrate acid anion arising from deprotonation of the carboxy group of 2-dehydro-3-deoxy-L-rhamnonic acid; major species at pH 7.3. It is also related to or classified as carbohydrate acid anion.
The molecule <smiles>c1ccc(cc1)[Sn+](c1ccccc1)c1ccccc1</smiles> is triphenyltin(1+). It has the role of antifeedant. It is also related to or classified as organotin compound.
The molecule <smiles>[C@@H]1([C@@H]([C@H](OC([C@@H]1O)OP(=O)(O)O)C(=O)O)O)O</smiles> is a uronic acid phosphate consisting of D-glucuronic acid having a phosphate group attached at the 1-position. It derives from a D-glucuronic acid. It is a conjugate acid of a D-glucuronate 1-phosphate.
The molecule <smiles>CCC(C)C1OC(=O)\C=C\C=C/C=C/C=C\C=C\CC(O)CC(O)CC(O)CC(O)CC(O)CC(O)CC(O)CC(O)\C=C\C1C</smiles> is A macrolide isolated from the reed rhizosphere soil-derived Streptomyces sp. CHQ-64. It has the role of antifungal agent. It has the role of bacterial metabolite. It is also related to or classified as secondary allylic alcohol .    It is also related to or classified as enoate ester . It is also related to or classified as macrolide antibiotic, polyol, polyene.
The molecule <smiles>C=1C(=CN=CC1)C=2SC(=NC2)N(C)C(/C=C/C3=NCCCO3)=O</smiles> is hSF1 inhibitors(heat shock transcription factor 1 inhibitors). It is also related to or classified as organic molecular entity.
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](O)CC([C@@H]6C[C@]5(C4=O)SC)=O)C[C@H]3C(C2)=O</smiles> is Epicoccin N. Its functional parent is alpha-amino acid. It is also related to or classified as organonitrogen compound, organooxygen compound.
The molecule <smiles>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)CC4=CC=NC=C4</smiles> is 1-cyclohexyl-3-[(3S,9S,10R)-12-[(2S)-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]urea. It is also related to or classified as lactam . It is also related to or classified as azamacrocycle.
The molecule <smiles>[H]O[2H]</smiles> is deuterium hydrogen oxide. It is also related to or classified as water . It is also related to or classified as deuterated compound.
The molecule <smiles>O[Si](O)(O)[O-]</smiles> is A monovalent inorganic anion that consists of silicic acid in which one of the four OH groups has been deprotonated. It is a conjugate acid of dihydrogensilicate(2-). It is also related to or classified as silicate ion, monovalent inorganic anion.
The molecule <smiles>C[NH2+]C1(CCCCC1=O)C2=CC=CC=C2Cl.[Cl-]</smiles> is the hydrochloride salt of ketamine. It has a role as an analgesic, a NMDA receptor antagonist and an intravenous anaesthetic. It contains a ketamine.
The molecule <smiles>O=C1OC(C2=CN=CC=C2)=CC3=C1[C@H](O)[C@@H]4[C@@]5([C@H](C([C@@H](OC(=O)CC)CC5)(C)C)CC[C@]4(O3)C)C</smiles> is Pyripyropene H. It is also related to or classified as organic heterotricyclic compound, organooxygen compound.
The molecule <smiles>Oc1ccc(cc1)C1CC(CC(C1)c1ccccc1)c1ccccc1</smiles> is 4-(3,5-Diphenylcyclohexyl)phenol.  It is also related to or classified as alkylbenzene . It is also related to or classified as ring assembly.
The molecule <smiles>C[As](C)C</smiles> is an arsine that is arsane in which each of the hydrogens is substituted by a methyl group. It is also related to or classified as arsine .
The molecule <smiles>O=C(OC)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC</smiles> is Docosahexaenoic acid methyl ester. It is also related to or classified as fatty acid methyl ester .
The molecule <smiles>C[C@@]12CC[C@@]34CCC(C([C@@H]3[C@H]1CC[C@H]5[C@]2(CC[C@@H]6[C@@]5(CC[C@@H](C6(C)C)O)C)C)OC4)(C)C</smiles> is a triterpenoid that is (18alpha)-19,28-epoxyoleanane substituted by a hydroxy group at position 3. It is a triterpenoid, a cyclic ether and a secondary alcohol. It derives from a hydride of an oleanane.
The molecule <smiles>O=C(OC1=C(OC(=O)C)C(=C2[C@@H](OC)O[C@@H](C2=C1OC(=O)C)[C@@H]3OCC=4C3=C(OC(=O)C)C(OC(=O)C)=C(OC(=O)C)C4C)C)C</smiles> is Spicarin C. Its functional parent is pentacarboxylic acid. It is also related to or classified as organooxygen compound.
The molecule <smiles>S(C12C(=O)C3=C(C(O)=CC=C3)C([C@]1(O)[C@@H](O[C@H](C2)CC(=O)OC)C)=O)C45C(=O)C6=C(C(O)=CC=C6)C([C@]4(O)[C@@H](O[C@H](C5)CCO)C)=O</smiles> is BE-52440B. It is also related to or classified as organic heterotricyclic compound, organooxygen compound.
The molecule <smiles>C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O</smiles> is A L-proline derivative in which L-proline is substituted on nitrogen with a (2S)-2-methyl-3-sulfanylpropanoyl group. It is used as an anti-hypertensive ACE inhibitor drug. It has the role of EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor. It has the role of antihypertensive agent.   It is also related to or classified as alkanethiol . It is also related to or classified as pyrrolidinemonocarboxylic acid, N-acylpyrrolidine, L-proline derivative.
The molecule <smiles>C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CC3=CC=CC=C3)[C@@H](C)CO)C)CN(C)S(=O)(=O)C</smiles> is N-[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(methylsulfonyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-phenylacetamide. It is also related to or classified as lactam . It is also related to or classified as azamacrocycle.
The molecule <smiles>Oc1c(Cl)c(Cl)c(c(Cl)c1Cl)-c1cc(Cl)c(Cl)cc1Cl</smiles> is 4-Hydroxy-2,2',3,4',5,5',6-heptachlorobiphenyl.  It is also related to or classified as tetrachlorobenzene . It is also related to or classified as trichlorobenzene . It is also related to or classified as biphenyls.
The molecule <smiles>COC1=CC(=CC(=C1OC)OC)CC2=C(N=C(N=C2Cl)N)N</smiles> is an aminopyrimidine, the structure of which is that of trimethoprim (pyrimidine 2,4-diamine and 1,2,3-trimethoxybenzene moieties linked by a methylene bridge) carrying a 6-chloro substituent. It is an aminopyrimidine and an organochlorine compound. It derives from a trimethoprim.
The molecule <smiles>CCC(C)C1OC(=O)\C=C\C=C\C=C/C=C/C=C/CC(O)CC(O)CC(O)CC(O)CC(O)CC(O)CC(O)CC(O)\C=C\C1C</smiles> is A macrolide isolated from the reed rhizosphere soil-derived Streptomyces sp. CHQ-64. It has the role of antifungal agent. It has the role of bacterial metabolite. It is also related to or classified as secondary allylic alcohol .    It is also related to or classified as enoate ester . It is also related to or classified as macrolide antibiotic, polyol, polyene.
The molecule <smiles>O=C(NCCC(=O)OC)/C=C(/CCOC(=O)C)\C</smiles> is Pestalotiopamide D. Its functional parent is beta-amino acid. It is also related to or classified as organonitrogen compound, organooxygen compound.
The molecule <smiles>OC(=O)COc1ccc(Cl)cc1</smiles> is A chlorophenoxyacetic acid that is phenoxyacetic acid carrying a chloro substituent at position 4. It has the role of phenoxy herbicide. It is a conjugate acid of (4-chlorophenoxy)acetate. It is also related to or classified as chlorophenoxyacetic acid, monochlorobenzenes.
The molecule <smiles>O1C(C(O)C(O)C(O)C1C(O)=O)C(C(OCC2OC(OC=3C=C4OC=C(C(=O)C4=C(O)C3)C5=CC=C(OC)C=C5)C(O)C(O)C2O)=O)C(OC)=O</smiles> is 3,4,5-trihydroxy-6-{1-methoxy-1,3-dioxo-3-[(3,4,5-trihydroxy-6-{[5-hydroxy-3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl)methoxy]propan-2-yl}oxane-2-carboxylic acid. It is also related to or classified as acrovestone . It is also related to or classified as isoflavonoid.
The molecule <smiles>Oc1ccc(c(Cl)c1)-c1c(Cl)cc(Cl)c(Cl)c1Cl</smiles> is A member of the class of hydroxybiphenyls that is phenol substituted in the 3-position by chlorine and in the 4-position by a 2,3,4,6-tetrachlorophenyl group. It is also related to or classified as hydroxybiphenyls . It is also related to or classified as tetrachlorobenzene . It is also related to or classified as monochlorobenzenes.
The molecule <smiles>CO/N=C(/CC1=CN=CC=C1)\\C2=C(C=C(C=C2)Cl)Cl</smiles> is an oxime O-ether that is the O-methyloxime of 2',4'-dichloro-2-(3-pyridyl)acetophenone. A fungicide used for control of powdery mildew, scab and other fungal pathogens on a range of crops. It has a role as an EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor and an antifungal agrochemical. It is a dichlorobenzene, an oxime O-ether and a member of pyridines.
The molecule <smiles>CCC(C)C1OC(=O)\C=C/C=C/C=C/C=C/C=C/CC(O)CC(O)CC(O)CC(O)CC(O)CC(O)CC(O)CC(O)\C=C\C1C</smiles> is A macrolide isolated from the reed rhizosphere soil-derived Streptomyces sp. CHQ-64. It has the role of antifungal agent. It has the role of bacterial metabolite. It is also related to or classified as secondary allylic alcohol .    It is also related to or classified as enoate ester . It is also related to or classified as macrolide antibiotic, polyol, polyene.
The molecule <smiles>O1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1OC(=O)C2=CC=C(C(=C2)O)O)O)O)O)CO</smiles> is an O-acyl carbohydrate that is beta-D-glucopyranose in which the anomeric hydroxy hydrogen has been replaced by a 3,4-dihydroxybenzoyl group. Its functional parent is 3,4-dihydroxybenzoic acid. It is also related to or classified as beta-D-glucoside . It is also related to or classified as benzoate ester, O-acyl carbohydrate, monosaccharide derivative.
The molecule <smiles>CC(=O)Nc1cc(N)c(C)c(c1)[N+]([O-])=O</smiles> is A member of the class of amino-nitrotoluenes that is 2-amino-6-nitrotoluene bearing an additional acetamido group at position 4. It has the role of xenobiotic metabolite. It is also related to or classified as acetamides, amino-nitrotoluene, aromatic amide.
The molecule <smiles>CC(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)[C@H](C(=O)NCCC(=O)NCCSC(=O)CC(=O)CCCCCCC(=O)O)O</smiles> is an acyl-CoA resulting from the formal condensation of the thiol group of coenzyme A with the 1-carboxy group of 3-oxodecanedioic acid. It is a conjugate acid of a 3-oxodecanedioyl-CoA(5-).
The molecule <smiles>[O-]C(=O)CC1OC(=O)C=C1</smiles> is A monocarboxylic acid anion that is the conjugate base of 5-oxo-2,5-dihydro-2-furylacetic acid, formed via deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as monocarboxylic acid anion .
The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCCCC[C@H]([C@@H](CCCCCCCCCCCCCC1CC1CCCCCCCCCCCCCC/C=C\\CCCCCCCCCCCCCCCCCCCC)O)C(=O)O</smiles> is a C79 alpha-mycolic acid having a saturated C26 alpha-branch and a C53 meromycolic chain with a distal cis-double bond and a proximal cis-cyclopropyl function. It is produced by Mycobacterium tuberculosis H37Ra. It has a role as a bacterial metabolite. It is a mycolic acid, a hydroxy fatty acid and an unsaturated fatty acid. It is a conjugate acid of a (2R)-2-[(1R)-14-{2-[(15Z)-hexatriacont-15-en-1-yl]cyclopropyl}-1-hydroxytetradecyl]hexacosanoate.
The molecule <smiles>CCOC(=O)C(=CC=C1C=CN(C=C1)C)C#N</smiles> is 2-cyano-4-(1-methyl-4-pyridinylidene)-2-butenoic acid ethyl ester. It is also related to or classified as fatty acid ester .
The molecule <smiles>O=C1C=C(OC)[C@](O)(C)C([C@@]1(OC(=O)C(CC)C)C)=O</smiles> is Phomaligol A.  It is also related to or classified as quinone . It is also related to or classified as benzoquinones.
The molecule <smiles>O([C@@H]1[C@@H](O)[C@H](O)[C@H](OC1O)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</smiles> is A glucotriose that is D-glucopyranose in which the hydroxy groups at positions 2 and 6 have been converted into the corresponding D-glucopyranosyl derivatives. It is also related to or classified as glucotriose, partially-defined glycan.
The molecule <smiles>O([C@@H]1[C@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]2CO)O[C@H]3[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]3CO)O)O[C@@H]([C@H]1O)CO[C@H]4O[C@@H]([C@@H](O)[C@H](O)[C@@H]4O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5NC(=O)C)CO)CO)[C@H]6O[C@@H]([C@@H](O[C@@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7NC(=O)C)CO)[C@H](O)[C@@H]6O[C@@H]8O[C@@H]([C@@H](O)[C@H](O)[C@H]8NC(=O)C)CO)CO</smiles> is 4-GlcNAc3Man3GlcNAc2. It is also related to or classified as beta-D-GlcpNAc-(1->2)-[beta-D-GlcpNAc-(1->4)]-alpha-D-Manp-(1->3)-[beta-D-GlcpNAc-(1->2)-alpha-D-Manp-(1->6)]-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-D-GlcpNAc . It is also related to or classified as amino sugar.
The molecule <smiles>C1=CC=C2C=C(C=CC2=C1)NC(=O)[C@H](CC(=O)N)N</smiles> is an L-asparagine derivative that is the amide obtained by formal condensation of the carboxy group of L-asparagine with the amino group of 2-naphthylamine. It has a role as a chromogenic compound. It is an amino acid amide, a N-(2-naphthyl)carboxamide and a L-asparagine derivative.
The molecule <smiles>C1[C@@H]([C@H](S[C@H]1N2C=NC(=NC2=O)N)CO)O</smiles> is 5-Aza-4'-thio-2'-deoxycytidine is an orally bioavailable, nucleoside analog and DNA methyltransferase I (DNMT1) inhibitor, with potential DNA hypomethylating and antineoplastic activities. Upon administration, 5-aza-4'-thio-2'-deoxycytidine (Aza-TdC) gets incorporated into DNA, where it binds to the active site of DNMT1, a maintenance methyltransferase that contributes to the hypermethylation and silencing of tumor suppressor genes. The formation of covalent DNMT1-DNA complexes inhibits DNMT1, prevents DNA methylation of CpG sites, causes CpG demethylation, and results in the re-expression and re-activation of silenced tumor suppressor genes. This inhibits tumor cell proliferation. DNMT1, overactivated in tumor cells, plays a key role in tumor cell proliferation. It is also related to or classified as organic molecular entity.
The molecule <smiles>NC(=O)c1nc[nH]c1N</smiles> is an aminoimidazole in which the amino group is at C-5 with a carboxamido group at C-4. It has the role of mouse metabolite.  It is also related to or classified as monocarboxylic acid amide . It is also related to or classified as aminoimidazole.
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=C(C=C3)F)[C@@H](C)CO)C)CN(C)C</smiles> is N-[(3R,9R,10S)-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]-4-fluorobenzenesulfonamide. It is also related to or classified as lactam . It is also related to or classified as azamacrocycle.
The molecule <smiles>C1[C@@H]2[C@@]([C@@]3([C@@](C1)(C([C@@H](C4=C([C@H](C[C@](C4(C)C)([C@H]3O)O)O)C)O)=O)C)[H])(O)CO2</smiles> is 1beta,2alpha,4alpha,10beta,13alpha-pentahydroxy-5beta,20-epoxytax-11-en-9-one. It is also related to or classified as secondary alpha-hydroxy ketone . It is also related to or classified as oxetanes, taxane diterpenoid, tetracyclic diterpenoid.
The molecule <smiles>COC(=O)c1c(C)[nH]c(C)c1C(=O)c1ccccc1Cc1ccccc1</smiles> is 1H-Pyrrole substituted at C-2 and -5 by methyl groups, at C-3 by methoxycarbonyl and at C-4 by a 2-benzylbenzoyl group. It has the role of calcium channel agonist.  It is also related to or classified as carboxylic ester . It is also related to or classified as pyrroles.
The molecule <smiles>COC1=C(C=C(C=C1)CC(=O)O)O</smiles> is a member of the class of phenylacetic acids that is the 4-O-methyl ether of (3,4-dihydroxyphenyl)acetic acid. It has a role as a metabolite. It is an aromatic ether, a member of phenols and a member of phenylacetic acids. It derives from a (3,4-dihydroxyphenyl)acetic acid.
The molecule <smiles>O=C(O[C@H]1C=2C(=C(O)C3=C(OC)C=C(C=C3C2)OC)CO[C@H]1C)C</smiles> is [(3S,4S)-10-hydroxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-4-yl] acetate. It is also related to or classified as organic heterotricyclic compound, organooxygen compound.
The molecule <smiles>O([C@H]1[C@@H](O)[C@H](O)[C@H](O[C@@H]1OC[C@H]2O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]2O)CO)[C@H]3O[C@@H]([C@@H](O)[C@H](O)[C@@H]3O)CO</smiles> is A alpha-D-Manp-(1->2)-alpha-D-Manp-(1->6)-D-Manp in which the carbon bearing the anomeric hydroxy group has alpha- configuration. Its functional parent is alpha-D-Manp-(1->2)-alpha-D-Manp. Its functional parent is alpha-D-Manp-(1->6)-alpha-D-Manp. It is also related to or classified as alpha-D-Manp-(1->2)-alpha-D-Manp-(1->6)-D-Manp .
The molecule <smiles>OC[C@H]1O[C@@H](OC2=C(C(=O)\C=C\c3ccc(O)cc3)C(=O)C=C(O)C2=O)[C@H](O)[C@@H](O)[C@@H]1O</smiles> is Carthamone.  It is also related to or classified as monohydroxy-1,4-benzoquinones . It is also related to or classified as hydroxycinnamic acid.
The molecule <smiles>C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@H](C)CO)C)CN(C)C</smiles> is N-[(3S,9S,10S)-9-[(dimethylamino)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]benzamide. It is also related to or classified as lactam . It is also related to or classified as azamacrocycle.
The molecule <smiles>CCCCCCCC/C=C\\CCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@@H](/C=C/CCCCCCCC/C=C\\CCC)O</smiles> is a sphingomyelin 36:3 in which the fatty acyl and sphingoid portions are specified as oleoyl and (4E,14Z)-sphingadienine respectively. It derives from an oleic acid and a sphinga-4E,14Z-dienine.
The molecule <smiles>C[C@@H](CC1=CC=C(C=C1)OC)[NH2+]C[C@H](C2=CC(=C(C=C2)O)NC=O)O</smiles> is an ammonium ion resulting from the protonation of the non-formylated amino group of (S,S)-formoterol. It is an ammonium ion derivative and an organic cation. It is a conjugate acid of a (S,S)-formoterol. It is an enantiomer of an arformoterol(1+).
The molecule <smiles>C=12C(C=3C=CC=CC3C1C=CC=C2)(C=4C=CC(=CC4)O)C=5C=CC(=CC5)O</smiles> is A member of the class of fluorenes that is 9H-fluorene in which both of the hydrogens at position 9 have been replaced by p-hydroxyphenyl groups. It has the role of anti-estrogen. It is also related to or classified as fluorenes, polyphenol.
The molecule <smiles>O=C1C2=C(OC)C=C(OC)C=C2[C@H](O)[C@H]3[C@H]1CO[C@@](C3)(O)C</smiles> is 9-O-methylscytalol A. It is also related to or classified as organic heterotricyclic compound, organooxygen compound.
The molecule <smiles>O=C(O[C@H]1[C@@H](OC)[C@@H](C(=C)CC1)C2(O[C@@H]2CC=C(C)C)C)/C=C/C=C/C=C/C=C/C(=O)O</smiles> is 2,4,6,8-Decatetraenedioic acid, mono[2-methoxy-4-methylene-3-[2-methyl-3-(3-methyl-2-butenyl)-2-oxiranyl]cyclohex-1-yl] ester [1R-[1beta(2E,4E,6E,8E),2beta,3alpha(2R∗,3R∗)]] (2). It is also related to or classified as medium-chain fatty acid .
The molecule <smiles>C1=C([C@@]2([C@@H](C[C@@]2([C@@]3([C@]1(CC(C3)(C)C)[H])[H])C)OC(C4=C(C(=C(C=C4O)O)Br)C)=O)O)CO</smiles> is 6'-bromomelleolide F. It is also related to or classified as sesquiterpene . It is also related to or classified as dihydroxybenzoate . It is also related to or classified as organobromine compound . It is also related to or classified as carbotricyclic compound.
The molecule <smiles>O([C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H]([C@@H](O)[C@H](O)[C@H]2O)CO)[C@H](O[C@H]1OC=3C=C4OC(=CC(=O)C4=C(O)C3)C5=CC(O)=C(O)C=C5)COC(=O)CC(O)=O)[C@@H]6OC[C@@](O)([C@H]6O)CO</smiles> is Luteolin 7-O-(2-apiosyl-4-glucosyl-6-malonyl)-glucoside. It is also related to or classified as glycoside . It is also related to or classified as flavonoids.
The molecule <smiles>[H]OI(=O)=O</smiles> is iodic acid. It has the role of astringent. It is a conjugate acid of iodate. It is also related to or classified as iodine oxoacid.
The molecule <smiles>CCOC(=O)C1(CCN(CC1)C)C2=CC=CC=C2.Cl</smiles> is the hydrochloride salt of pethidine. An analgesic used for the treatment of postoperative and labour pain. It has a role as a kappa-opioid receptor agonist, a mu-opioid receptor agonist, an antispasmodic drug and an opioid analgesic. It contains a pethidine(1+).
The molecule <smiles>C1=CC(=CN=C1)/C=N/N2CCN(CC2)CCCC(C#N)(C3=CC=CC=C3)C4=CC=CC=C4</smiles> is sC 26196 is a selective FADS2 (Delta6 desaturase) inhibitor that displays selectivity over Delta5 and Delta9 desaturases. It completely blocks the conversion of linoleic acid to arachidonic acid (AA). It also blocks aging-related increases in AA in myocardial cardiolipin in mice, attenuating contractile dysfunction without impacting mitochondrial oxidative stress. It is also related to or classified as organic molecular entity.
The molecule <smiles>O(C1=C(C#CC(=C)C)C=C(O)C=C1)C</smiles> is Eulatinol. It is also related to or classified as phenols . It is also related to or classified as methoxybenzenes.
The molecule <smiles>O=C1C2=C(O)C3=C(C4=C(O)C(=C(CC(=O)/C=C/C=C/C)C=C4CC3)C(=O)O)C(=C2C(=O)C=5C1=C(O)C(OC)=CC5O)O</smiles> is Fredericamycin C. It is also related to or classified as quinone . It is also related to or classified as tetracenes.
The molecule <smiles>Oc1c(Cl)cc(cc1Cl)-c1ccc(Cl)cc1</smiles> is 4,3',5'-Trichloro-4'-biphenol.  It is also related to or classified as dichlorobenzene . It is also related to or classified as biphenyls, monochlorobenzenes.
The molecule <smiles>C1COCCN1C2=CC(=CC(=C2)C(=O)NC3=CC4=C(C=C3)C=CN4CCC5=CC=NC=C5)F</smiles> is a member of the class of benzamides obtained by formal condensation of the carboxy group of 3-fluoro-5-morpholin-4-ylbenzoic acid with the amino group of 1-[2-(pyridin-4-yl)ethyl]indol-6-amine It has a role as an EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor. It is a member of morpholines, a member of indoles, a member of benzamides, an aminoalkylpyridine and a member of monofluorobenzenes.
The molecule <smiles>[18O]</smiles> is the stable isotope of oxygen with relative atomic mass 17.999160 and 0.205 atom percent natural abundance. It is also related to or classified as oxygen atom .
The molecule <smiles>S([C@@]12N(C(=O)[C@]3(SC)CC=4[C@H](N3C1=O)[C@@H](OC(=O)C[C@@H](O)CCCCC)C=CC4)[C@@H]5[C@@H](O)C=COC=C5C2)C</smiles> is Graphiumin G. Its functional parent is alpha-amino acid. It is also related to or classified as organonitrogen compound, organooxygen compound.
The molecule <smiles>O1[C@@H]([C@H](O[C@@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)CO)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]3[C@H](O)[C@@H](O)C(O[C@@H]3CO)O)CO</smiles> is A galactotriose consisting of two beta-D-galactopyranose residues and a D-galactopyranose residue joined in sequence by (1->4) glycosidic bonds. Its functional parent is beta-D-galactopyranosyl-(1->4)-D-galactopyranose. Its functional parent is beta-D-galactopyranosyl-(1->4)-beta-D-galactopyranose. It is also related to or classified as galactotriose.
The molecule <smiles>O([C@H]1[C@@H](O)[C@H](O)[C@H](O[C@@H]1OC[C@H]2O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]2O)CO)[C@H]3O[C@@H]([C@@H](O)[C@H](O)[C@@H]3O)CO</smiles> is an alpha-D-Manp-(1->2)-alpha-D-Manp-(1->6)-D-Manp in which the carbon bearing the anomeric hydroxy group has beta- configuration. It is also related to or classified as alpha-D-Manp-(1->2)-alpha-D-Manp-(1->6)-D-Manp .