mingxuzhang/ChEBI-Augmented huggingface dataset:
The molecule <smiles>FC(F)(C(OCCCCCCCCCCCCCC)=O)C(F)(F)C(F)(F)F</smiles> is Heptafluorobutyric acid, N-tetradecyl ester. It is also related to or classified as organofluorine compound .
The molecule <smiles>O[C@@H](C[NH+]1CC[C@H]1C([O-])=O)[C@H]([NH2+]CC[C@H](O)C([O-])=O)C([O-])=O</smiles> is A tricarboxylic acid anion that is the conjugate base of mugineic acid. Major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is a conjugate acid of mugineate(2-). It is also related to or classified as tricarboxylic acid anion.
The molecule <smiles>CSCCCCCCCCC(NO)C(O)=O</smiles> is an N-hydroxy-alpha-amino acid having a 9-thiadecyl substituent at the 2-position. Its functional parent is hexahomomethionine. It is a conjugate acid of N-hydroxyhexahomomethioninate. It is also related to or classified as N-hydroxy-alpha-amino-acid .
The molecule <smiles>OS(O)(=O)=O.NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O</smiles> is bekanamycin sulfate. Its functional parent is kanamycin B. It is also related to or classified as aminoglycoside sulfate salt.
The molecule <smiles>NC(=O)NCCCC[NH3+]</smiles> is an ammonium ion that is the conjugate acid of N-carbamoylputrescine, arising from protonation of the primary amino group; major species at pH 7.3. It is a conjugate acid of N-carbamoylputrescine. It is also related to or classified as organic cation, ammonium ion derivative.
The molecule <smiles>C1(=C(C=C([N+](=O)[O-])C=C1)[N+](=O)[O-])SC[C@H](NC(CC[C@@H](C([O-])=O)[NH3+])=O)C(NCC([O-])=O)=O</smiles> is an S-substituted glutathione(1-) obtained by deprotonation of the the two carboxy groups and protonation of the glutamyl amino group of S-(2,4-dinitrophenyl)glutathione. Major microspecies at pH 7.3. Its functional parent is glutathionate(1-). It is also related to or classified as S-substituted glutathione(1-) .
The molecule <smiles>O=C1O[C@@H]([C@H](C=CC=C[C@@H](O)[C@H]([C@H](O)C[C@@H](O)C[C@H](OC(=O)CC(=O)O)C[C@H]2O[C@](C[C@H]([C@H](CC[C@@H]([C@H]([C@H](C[C@H]([C@H](C=C[C@H]([C@H]1C)O)C)O)O)C)O)C)OC(=O)CC(=O)O)(O)[C@H](O)[C@H](C2)O)C)C)[C@H](C[C@H](CCC/C=C/CCCNC(=NC)N)C)C</smiles> is Niphimycin E. Its functional parent is hexacarboxylic acid. It is also related to or classified as organooxygen compound.
The molecule <smiles>CSCCCCCCCC(NO)C(O)=O</smiles> is an N-hydroxy-alpha-amino acid having a 8-thianonyl substituent at the 2-position. Its functional parent is pentahomomethionine. It is a conjugate acid of N-hydroxypentahomomethioninate. It is also related to or classified as N-hydroxy-alpha-amino-acid .
The molecule <smiles>CC[C@@]1(O)C[C@H](O[C@H]2C[C@H]([NH3+])[C@H](O)[C@H](C)O2)c2c(O)c3C(=O)c4c(O)cccc4C(=O)c3c(O)c2[C@H]1C(=O)OC</smiles> is an organic cation that is the conjugate acid of rhodomycin D, obtained by protonation of the amino group; major species at pH 7.3. It is a conjugate acid of rhodomycin D. It is also related to or classified as organic cation, ammonium ion derivative.
The molecule <smiles>CCCCCCCCCC1=CC(OC(=O)C2=C(CCCCCCCCC)C=C(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=CC(O)=C1C(O)=O</smiles> is A monosaccharide derivative that is exophillic acid in which the hydroxy group at position 4 is replaced by a beta-D-galactosyloxy group. It has the role of fungal metabolite. Its functional parent is exophillic acid. It is a conjugate acid of phaeomoniecin D(1-). It is also related to or classified as beta-D-glucoside .  It is also related to or classified as beta-D-galactoside . It is also related to or classified as monohydroxybenzoic acid, benzoate ester, monosaccharide derivative.
The molecule <smiles>[K+].C1=CC=CC2=C1C(=C(C(O2)=O)[C@H](CC(C)=O)C3=CC=CC=C3)[O-]</smiles> is an organic potassium salt having 2-oxo-3-[(1R)-3-oxo-1-phenylbutyl]-2H-1-benzopyran-4-olate as the counterion (the racemate is warfarin potassium, an anticoagulant drug and rodenticide). It is also related to or classified as organic potassium salt.
The molecule <smiles>C(=O)([C@H](CC=1C=CC(=C(C1)[N+]([O-])=O)O)[NH3+])[O-]</smiles> is major species at pH 7.3. It is also related to or classified as amino-acid zwitterion.
The molecule <smiles>O=C1O[C@@H]([C@H](C=CC=C[C@@H](O)[C@H]([C@H](O)C[C@@H](OC(=O)CC(=O)O)C[C@H](O)C[C@H]2O[C@](C[C@H]([C@H](CC[C@@H]([C@H]([C@H](C[C@H]([C@H](C=C[C@H]([C@H]1C)O)C)O)O)C)O)C)O)(O)[C@H](O)[C@H](C2)OC(=O)CC(=O)O)C)C)[C@H](C[C@H](CCC/C=C/CCCNC(=NC)N)C)C</smiles> is Niphimycin D. Its functional parent is hexacarboxylic acid. It is also related to or classified as organooxygen compound.
The molecule <smiles>C=1(C=C(C(O)=CC1)CO)C(CNC(C)(C)C)O.S(O)(O)(=O)=O.C=1(C=C(C(=CC1)O)CO)C(CNC(C)(C)C)O</smiles> is albuterol sulfate. Its functional parent is albuterol. It is also related to or classified as ethanolamine sulfate salt.
The molecule <smiles>O=C(O)/C=C/C=C/[C@@H]([C@@H]1O[C@]2(O[C@@H]([C@@H](C)[C@@H](C2)O)C)[C@@H](C)[C@@H]([C@@H]1C)O)C</smiles> is Pteridic acid E. It is also related to or classified as medium-chain fatty acid .
The molecule <smiles>Cc1c(C)c(C)c(C)c(C)c1C</smiles> is A methylbenzene that is benzene in which all six hydrogens have been replaced by methyl groups. It is also related to or classified as methylbenzene.
The molecule <smiles>CSCCCCCCC(NO)C(O)=O</smiles> is an N-hydroxy-alpha-amino acid having a 7-thiaoctyl substituent at the 2-position. Its functional parent is tetrahomomethionine. It is a conjugate acid of N-hydroxytetrahomomethioninate. It is also related to or classified as N-hydroxy-alpha-amino-acid .
The molecule <smiles>CC(C)=CCC\C(C)=C\Cc1c(O)cc(O)cc1-c1cc2ccc(O)cc2o1</smiles> is A member of the class of 1-benzofurans that is 1-benzofuran substituted by a hydroxy group at position 6 and a 2-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-3,5-dihydroxyphenyl group at position 2. It has the role of plant metabolite. It is also related to or classified as polyphenol, 1-benzofurans.
The molecule <smiles>N[C@H](Cc1ccc(O)cc1)C(O)=O</smiles> is an optically active form of tyrosine having D-configuration. It has the role of Escherichia coli metabolite. It is a conjugate acid of D-tyrosinate(1-). It is also related to or classified as D-alpha-amino acid . It is also related to or classified as tyrosine .
The molecule <smiles>C([C@@H](/C=C/C=C/C=C/[C@H](CCCC([O-])=O)O)O)/C=C\CCCCC</smiles> is A leukotriene anion that is the conjugate base of Delta(6)-trans-12-epi-leukotriene B4, obtained by deprotonation of the carboxylic acid function; major species at pH 7.3. It is also related to or classified as hydroxy polyunsaturated fatty acid anion . It is also related to or classified as long-chain fatty acid anion . It is also related to or classified as leukotriene anion.
The molecule <smiles>O(C1=C(O)C(=C(C#CC(=C)C)C(=C1)OC)C)C</smiles> is Benzocamphorin H. It is also related to or classified as phenols . It is also related to or classified as methoxybenzenes.
The molecule <smiles>C[C@@H]1O[C@@H](O[C@H]2[C@@H](Oc3cc(O)cc(O)c3C2=O)c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O</smiles> is A flavanone glycoside that is (-)-taxifolin substituted by a alpha-L-rhamnosyl moiety at position 3 via a glycosidic linkage. Its functional parent is (-)-taxifolin. It is also related to or classified as 4'-hydroxyflavanones . It is also related to or classified as alpha-L-rhamnoside . It is also related to or classified as tetrahydroxyflavanone, 3'-hydroxyflavanones, monosaccharide derivative, flavanone glycoside.
The molecule <smiles>O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC2=C(CC=C(C)C)C(O)=C(C=C2)C(=O)/C=C/C3=CC=C(O)C=C3)CO</smiles> is 2',4',4-Trihydroxy-3'-prenylchalcone 4'-O-glucoside. It is also related to or classified as glycoside . It is also related to or classified as flavonoids.
The molecule <smiles>CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(O)=O</smiles> is A synthetic peptide that is identical to the 24-amino acid segment at the N-terminal of adrenocorticotropic hormone (corticotropin). A segment similar in all species, it contains the biological activity that stimulates production of corticosteroids in the adrenal cortex. It is used diagnostically to investigate adrenocortical insufficiency. It has the role of diagnostic agent. It is also related to or classified as polypeptide .
The molecule <smiles>CSCCCCCC(NO)C(O)=O</smiles> is an N-hydroxy-alpha-amino acid having a 6-thiaheptyl substituent at the 2-position. Its functional parent is trihomomethionine. It is a conjugate acid of N-hydroxytrihomomethioninate. It is also related to or classified as N-hydroxy-alpha-amino-acid .
The molecule <smiles>[H][C@]12OC(=O)C(=C)[C@]1([H])[C@H](C\C(CO)=C\CC\C(CO)=C\2)OC(=O)C(C)C</smiles> is A germacrane sesquiterpenoid laactone obtained by formal condensation of the carboxy group of isobutyric acid with the secondary hydroxy group of trihydroxygermaeranolide. It has the role of antineoplastic agent. It has the role of protein synthesis inhibitor. It has the role of plant metabolite. It is also related to or classified as primary alcohol . It is also related to or classified as diol . It is also related to or classified as sesquiterpene lactone, germacrane sesquiterpenoid, olefinic compound.
The molecule <smiles>C=Cc1ccccc1</smiles> is A vinylarene that is benzene carrying a vinyl group. It has been isolated from the benzoin resin produced by Styrax species. It has the role of mutagen. It has the role of mouse metabolite. It has the role of plant metabolite. It is also related to or classified as volatile organic compound, styrenes, vinylarene.
The molecule <smiles>C1=CC=C(C(=C1CC)N(COCCCC)C(CCl)=O)CC</smiles> is an aromatic amide that is 2-choro-N-(2,6-diethylphenyl)acetamide in which the amide nitrogen has been replaced by a butoxymethyl group. It has the role of herbicide. It has the role of xenobiotic. It has the role of environmental contaminant. Its functional parent is N-phenylacetamide. It is also related to or classified as tertiary carboxamide . It is also related to or classified as organochlorine compound . It is also related to or classified as aromatic amide.
The molecule <smiles>C(C(/C=C/C=C/C=C/[C@H](CCCC([O-])=O)O)=O)/C=C\CCCCC</smiles> is A leukotriene anion that is the conjugate base of 12-oxo-6-trans-leukotriene B4, obtained by deprotonation of the carboxylic acid function; major species at pH 7.3. Its functional parent is 6-trans-leukotriene B4(1-). It is also related to or classified as hydroxy polyunsaturated fatty acid anion . It is also related to or classified as long-chain fatty acid anion . It is also related to or classified as oxo fatty acid anion, leukotriene anion.
The molecule <smiles>Br/C=C/[C@]1([C@@H](Cl)C[C@@H](Cl)[C@@](C1)(Cl)C)C</smiles> is Telfairine. It is also related to or classified as organohalogen compound . It is also related to or classified as alicyclic compound.
The molecule <smiles>CC12CC3CC(C1)CC(C)(C3)C2</smiles> is 1,3-dimethyladamantane. It is also related to or classified as polycyclic alkane . It is also related to or classified as adamantanes.
The molecule <smiles>CSCCCCC(NO)C(O)=O</smiles> is an N-hydroxy-alpha-amino acid bearing a 5-thiahexyl substituent at the 2-position. Its functional parent is dihomomethionine. It is a conjugate acid of N-hydroxydihomomethioninate. It is also related to or classified as N-hydroxy-alpha-amino-acid .
The molecule <smiles>[O-]S(=O)(=O)CCS</smiles> is an organosulfonate oxoanion that is the conjugate base of coenzyme M; major species at pH 7.3. It is also related to or classified as organosulfonate oxoanion .
The molecule <smiles>C(/C=C(/C=C/C(O)=O)\C(CC(=O)O)O)(O)=O</smiles> is A tricarboxylic acid that is hexa-2,4-dienedioic acid which is substituted at position 3 by a 2-carboxy-1-hydroxyethyl group (the 2Z,4E isomer; a mixture of isomers at the carbon bearing the alcoholic hydroxy group). It has been produced from trans-caffeic acid using Aspergillus niger, but the conversion rate was increased 3.5 times by using a coculture of Streptomyces coelicolor and Aspergillus niger. It has the role of Aspergillus metabolite.  It is also related to or classified as secondary alcohol . It is also related to or classified as tricarboxylic acid, olefinic compound.
The molecule <smiles>O=C1N2[C@](O)(C(=O)N3[C@@]1(O)[C@@H](O)[C@@]4(NC=5C=C(OC)C=CC5C4=O)[C@@H]3C=C(C)C)CCC2</smiles> is Spirotryprostatin G. Its functional parent is alpha-amino acid. It is also related to or classified as organonitrogen compound, organooxygen compound.
The molecule <smiles>CSCCC(N)C([O-])=O</smiles> is A sulfur-containing amino-acid anion that is the conjugate base of methionine, arising from deprotonation of the carboxy group. It is also related to or classified as alpha-amino-acid anion, sulfur-containing amino-acid anion.
The molecule <smiles>FC(F)(F)C12C(F)(F)C3(F)C(F)(F)C(F)(C1(F)F)C(F)(F)C(C(F)(F)F)(C3(F)F)C2(F)F</smiles> is perfluoro-1,3-dimethyladamantane. Its functional parent is 1,3-dimethyladamantane. It is also related to or classified as fluorocarbon .
The molecule <smiles>F[Mo-3](F)(F)(F)(F)F</smiles> is hexafluoromolybdate(3-). It is also related to or classified as molybdenum coordination entity, perfluorometallate anion.
The molecule <smiles>O=c1c2cccc3cccc(c23)c1=O</smiles> is an orthoquinone that is the 1,2-dioxo derivative of acenaphthene. It has the role of epitope. It has the role of chain carrier. It is also related to or classified as orthoquinones.
The molecule <smiles>NC(=[NH2+])N[C@@H]1[C@@H](O)[C@H](O)[C@@H](OP([O-])([O-])=O)[C@H](NC(N)=[NH2+])[C@H]1O</smiles> is zwitterionic form of streptidine 6-phosphate having an anionic phosphate group and protonated guanidino groups; major species at pH 7.3. It is also related to or classified as zwitterion .
The molecule <smiles>O=C(OC)[C@@H](NC(=O)CCCCCCC/C=C\CCCCCC(=O)O)C</smiles> is (Z)-N-15-carboxypentadec-9-enoyl-L-alanine methyl ester. It is also related to or classified as long-chain fatty acid .
The molecule <smiles>OC(=O)C(N)CCC(C1=C(CCC(N)C(O)=O)C=[N+](C=C1CCC(N)C(O)=O)CCCCC(N)C(O)=O)CCCCC(N)C(O)=O</smiles> is 6-[3,5-Bis(3-amino-3-carboxypropyl)-4-(1,9-diamino-1,9-dicarboxy-4-nonanyl)-1-pyridiniumyl]norleucine. Its functional parent is hexacarboxylic acid. It is also related to or classified as organooxygen compound.
The molecule <smiles>[Ni+3]</smiles> is A nickel cation in which the nickel carries a triple positive charge.  It is also related to or classified as monoatomic trication . It is also related to or classified as nickel cation, metal cation allergen.
The molecule <smiles>O1C(CC(=O)C=2C1=C(C(OC)=C(C2OC)CO)C)C3=CC=CC=C3</smiles> is 5-O-Methylleridol. It is also related to or classified as ether . It is also related to or classified as flavonoids.
The molecule <smiles>[H]C(=CC([H])=C(C)C([H])=CC([H])=C(C)C([H])=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O)C=C(C)C=C([H])C=C(C)C=C([H])[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C</smiles> is an epoxycarotenoid that is 6,7-didehydro-5,5',6,6'-tetrahydro-5',6'-epoxy-beta,beta-carotene which is substituted by hydroxy groups at the 3, 3', and 5 positions.  It is also related to or classified as allenes . It is also related to or classified as epoxycarotenol.
The molecule <smiles>CC(=O)C[NH3+]</smiles> is an ammonium ion that is the conjugate acid of aminoacetone, arising from protonation of the primary amino group; major species at pH 7.3. It has the role of Saccharomyces cerevisiae metabolite. It has the role of human metabolite. It is a conjugate acid of aminoacetone. It is also related to or classified as organic cation, ammonium ion derivative.
The molecule <smiles>C=1(C(=C(C(=C(C1O)/C=C/C)C)OC)C(O)=O)C(=O)N</smiles> is A member of the class of benzoic acids that is benzoic acid which is substituted at positions 2, 3, 4, 5, and 6 by carbamoyl, hydroxy, E)-prop-1-en-1-yl, methyl, and methoxy groups, respectively. Obtained from solid-state fermentation of Aspergillus niger CFR-W-105, it inhibits soy bean lipoxygenase-1 (LOX-1) and rat lens aldose reductase (RLAR). It also shows free radical scavenging activity. It has the role of antioxidant. It has the role of lipoxygenase inhibitor. It has the role of EC 1.1.1.21 (aldehyde reductase) inhibitor. It has the role of radical scavenger. It has the role of Aspergillus metabolite.    It is also related to or classified as phenols . It is also related to or classified as benzamides, benzoic acids, styrenes, aromatic ether.
The molecule <smiles>O=C1C2=C(O)C3=C(C(=C(C)CC3)C(=O)OC)C=C2C(=O)C=4C1=C(O)C=CC4</smiles> is Resomycin B. It is also related to or classified as quinone . It is also related to or classified as tetracenes.
The molecule <smiles>C(CCCCCCC/C=C\CCCCCCCC)(=O)O[C@@H](COP(=O)(OCCNC(CCCCCCCCCCCCCCC)=O)[O-])CO/C=C\CCCCCCCCCCCCCCCC</smiles> is an anionic phospholipid obtained by deprotonation of the phosphate OH group of any N-hexadecanoyl-1-[(1Z)-octadecenoyl]-2-oleoyl-sn-glycero-3-phosphoethanolamine; major species at pH 7.3. It is also related to or classified as N-acyl-1-[(1Z)-alkenyl]-2-acyl-sn-glycero-3-phosphoethanolamine(1-) . It is also related to or classified as anionic phospholipid.
The molecule <smiles>[Ni++]</smiles> is A nickel cation in which the nickel carries a double positive charge. It has the role of cofactor.  It is also related to or classified as monoatomic dication . It is also related to or classified as nickel cation, divalent metal cation, metal cation allergen.
The molecule <smiles>O=C1NC=2C(=O)C(=C(OC)C(C2)=O)C[C@H](C[C@H](OC)[C@H](O)[C@H](C=C([C@@H]([C@H](C[C@H](C=C1C)O)OC)OC(=O)N)C)C)C</smiles> is (4R)-4,5-dihydro-4-hydroxygeldanamycin. It is also related to or classified as enol ether . It is also related to or classified as enone .
The molecule <smiles>O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C3=C(OC(=C(OC)C3=O)C4=CC(OC)=C(O)C=C4)C=C(O)C2OC)CO</smiles> is Jaceidin 5-glucoside. It is also related to or classified as glycoside . It is also related to or classified as flavonoids.
The molecule <smiles>OC(=O)CCC(=O)C([O-])=O</smiles> is A dicarboxylic acid monoanion resulting from selective deprotonation of the 1-carboxy group of 2-oxoglutaric acid. It has the role of fundamental metabolite. Its functional parent is glutarate(1-). It is a conjugate acid of 2-oxoglutarate(2-). It is also related to or classified as dicarboxylic acid monoanion.
The molecule <smiles>C[Hg]C</smiles> is dimethylmercury. It has the role of NMR chemical shift reference compound. It is also related to or classified as methylmercury compound.
The molecule <smiles>O1O[Cr-3]112345OO1.O2O3.O4O5</smiles> is tetraperoxidochromate(3-). It is also related to or classified as chromium oxoanion, chromium oxide, trivalent inorganic anion.
The molecule <smiles>OCC1COP([O-])(=O)O1</smiles> is conjugate base of glycerol 1,2-cyclic phosphate; major species at pH 7.3. It is also related to or classified as organophosphate oxoanion.
The molecule <smiles>[H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C</smiles> is flumethasone. It has the role of anti-inflammatory drug. It is also related to or classified as primary alpha-hydroxy ketone . It is also related to or classified as tertiary alpha-hydroxy ketone .    It is also related to or classified as 11beta-hydroxy steroid .   It is also related to or classified as 3-oxo-Delta(1),Delta(4)-steroid . It is also related to or classified as glucocorticoid, 17alpha-hydroxy steroid, 21-hydroxy steroid, 20-oxo steroid, fluorinated steroid.
The molecule <smiles>NCCCNCCCNCCCN</smiles> is A polyazaalkane consisting of a 13-membered straight chain alkane with aza-groups at the 1-, 5-, 9- and 13-positions. It is also related to or classified as tetramine, polyazaalkane.
The molecule <smiles>P(=O)(OC(C(=O)NC(C1OC(=O)C=2C(O)=CC=CC2C1)CC(C)C)C(O)C(N)CC(=O)N)(O)O</smiles> is 8'-Phosphoamicoumacin A. Its functional parent is beta-amino acid. It is also related to or classified as organonitrogen compound, organooxygen compound.
The molecule <smiles>O1CC(C(O)C2=C1C=C3OC=CC3=C2)C=4C(OC)=CC=5OCOC5C4</smiles> is Ambanol. It is also related to or classified as ether . It is also related to or classified as flavonoids.
The molecule <smiles>CNC(=O)C(C)SCCSP(=O)(OC)OC</smiles> is an organic thiophosphate that is N-methyl-2-[(2-sulfanylethyl)sulfanyl]propanamide in which the thiol group has been converted into the corresponding O,O-dimethyl thiophoshate. Formerly used as an insecticide and acaricide, it is no longer approved for use within the European Union. It has the role of acaricide. It has the role of antibacterial agent. It has the role of agrochemical. It has the role of antifungal agent. It has the role of EC 3.1.1.7 (acetylcholinesterase) inhibitor. Its functional parent is 2-((2-hydroxyethyl)sulfanyl)-N-methylpropionamide. It is also related to or classified as organothiophosphate insecticide, organic thiophosphate.
The molecule <smiles>N[C@H]([C@@H](O)CC(=O)C([O-])=O)[C@@H](O)[C@H](O)[C@H](O)CO</smiles> is A member of the class of neuraminates obtained by deprotonation of the carboxy group of keto-neuraminic acid. It is also related to or classified as neuraminates.
The molecule <smiles>O=C1N2[C@@](CCC2)(CO)[C@@]([C@@H]1C)(O)CCCCC=CC</smiles> is Penibruguieramine A. It is also related to or classified as organic heterobicyclic compound, organonitrogen heterocyclic compound, cyclic ketone.
The molecule <smiles>CC1=C[C@@H]2[C@@H]3[C@@H](C1)c1ccc(O)cc1O[C@@]3(Oc1cc(cc(O)c21)-c1cc2ccc(O)cc2o1)c1ccc(O)cc1O</smiles> is albanol A. It is also related to or classified as organic heteropentacyclic compound, 1-benzofurans.
The molecule <smiles>CSCCCCCCCCC(N)C(O)=O</smiles> is A sulfur-containing amino acid consisting of 2-aminodecanoic acid having a methylthio substituent at the 10-position.   It is also related to or classified as methyl sulfide . It is also related to or classified as sulfur-containing amino acid, non-proteinogenic alpha-amino acid.
The molecule <smiles>[H]C(=O)C(O)C(C([H])=O)C1=C([O-])C=C(OC)C2=C1OC(=O)C=3C(=O)CCC32</smiles> is A phenolate anion that is the conjugate base of aflatoxin B1 dialdehyde, obtained by deprotonation of the 7-hydroxy group. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0). It is also related to or classified as phenolate anion.
The molecule <smiles>O=C1C2=C(O)C3=C(O)C=C(O)C=C3C(=C2C(=O)C=4C1=C(O)C=C(O)C4)C</smiles> is BM-2419-2. It is also related to or classified as quinone . It is also related to or classified as tetracenes.
The molecule <smiles>[O-]C(=O)C(CS)CS</smiles> is A monocarboxylic acid anion that is the conjugate base of 3-mercapto-2-mercaptomethylpropanoic acid; major species at pH 7.3. It is also related to or classified as monocarboxylic acid anion .
The molecule <smiles>CNC(=O)C(C)SCCO</smiles> is 2-((2-hydroxyethyl)sulfanyl)-N-methylpropionamide.  It is also related to or classified as monocarboxylic acid amide . It is also related to or classified as aliphatic sulfide.
The molecule <smiles>F[Mo-](F)(F)(F)(F)F</smiles> is hexafluoromolybdate(1-). It is also related to or classified as molybdenum coordination entity, perfluorometallate anion.
The molecule <smiles>C=1(C=CC2=C(C1)C(\C(=C\3/NC=4C=CC(=CC4C3=O)S([O-])(=O)=O)\N2)=O)S([O-])(=O)=O.[Na+].[Na+]</smiles> is an organic sodium salt resulting from the formal condensation of indigo carmine (acid form) with two equivalents of sodium hydroxide. It is an indicator at pH 11.5-14, changing from blue to yellow. It has the role of two-colour indicator. It has the role of histological dye. It has the role of food colouring. It is also related to or classified as organic sodium salt.
The molecule <smiles>CSCCCCCCCC(N)C(O)=O</smiles> is A sulfur-containing amino acid consisting of 2-aminononanoic acid having a methylthio substituent at the 9-position. It is also related to or classified as sulfur-containing amino acid, non-proteinogenic alpha-amino acid.