mingxuzhang/ChEBI-Augmented huggingface dataset:
The molecule <smiles>CCOC1=CC2=C(N)C3=C(C=C(NCC4=CC=CO4)C=C3)N=C2C=C1</smiles> is A member of the class of aminoacridines that is acridin-9-amine substituted by [(furan-2-yl)methyl]amino and ethoxy groups at positions 3 and 7, respectively. It is a lysine deficient protein kinase (WNK) signaling inhibitor (IC50 = 16 muM). It has the role of WNK signaling inhibitor. It is also related to or classified as furans, aromatic amine, aromatic ether, aminoacridines.
The molecule <smiles>C1[C@H](C(=NO1)[O-])[NH3+]</smiles> is a zwitterion resulting from the transfer of a proton from the ring nitrogen to the primary amino group of D-cycloserine. The major species at pH 7.3. It is a tautomer of a D-cycloserine.
The molecule <smiles>[Os+4]</smiles> is osmium(4+).  It is also related to or classified as monoatomic tetracation . It is also related to or classified as osmium cation.
The molecule <smiles>C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC[C@]2(C[C@H](C1)O)[H])[H])(CC[C@@]4([C@@H]([C@H]([C@@H](CC(C)C)O)O)C)[H])[H])C)[H])C</smiles> is 6-deoxo-28-norteasterone. It is also related to or classified as a C27-steroid .  It is also related to or classified as 3beta-hydroxy steroid . It is also related to or classified as phytosteroid, 22-hydroxy steroid, 23-hydroxy steroid.
The molecule <smiles>C1(CCCCCCCC(=O)[O-])C(CCCCCCC(O)C)O1</smiles> is an (omega-1)-hydroxy fatty acid anion that is the conjugate base of 9,10-epoxy-17-hydroxyoctadecanoic acid arising from deprotonation of the carboxylic acid function; major species at pH 7.3. Its functional parent is 9,10-epoxyoctadecanoate. It is also related to or classified as (omega-1)-hydroxy fatty acid anion .
The molecule <smiles>CCCCCCC(CCCC)COS(=O)(=O)O</smiles> is an alkyl sulfate that is the mono(2-butyloctyl) ester of sulfuric acid. It has a role as a surfactant. It derives from a 2-butyl-1-octanol. It is a conjugate acid of a 2-butyloctyl sulfate.
The molecule <smiles>C(C=1C(OCC=C(C)C)=C(C)C(OC)=C2C1C(OC2=O)O)O</smiles> is 5-O-dimethylallylcyclopolic acid. Its functional parent is cyclopolic acid. It is also related to or classified as 2-benzofurans.
The molecule <smiles>O=C1C2=C([C@@H]3O[C@@H]([C@H]2[C@@H]4[C@H](OC=C5[C@]34C(=O)C6O[C@@H]6[C@H]5O)C)C)[C@H](O)[C@@H]7C1O7</smiles> is Epoxyquinol B. It is also related to or classified as organic heterotricyclic compound, organooxygen compound.
The molecule <smiles>CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)O[C@H]4[C@H]([C@H](O[C@H]([C@@H]4O)O[C@@H]5[C@H](O[C@H]([C@@H]([C@H]5O)NC(=O)C)OC[C@@H]6[C@@H]([C@@H]([C@H]([C@H](O6)O)NC(=O)C)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O)O)CO)CO)O)CO)O)O)O)O</smiles> is a branched amino heptasaccharide comprising a linear hexasaccharide chain of alpha-N-acetylneuraminyl, beta-D-galactose, N-acetyl-beta-D-glucosamine, beta-D-galactose, N-acetyl-beta-D-glucosamine and N-acetyl-alpha-D-galactosamine residues linked sequentially (1->4), (1->3), (1->4), (1->6), to the N-acetyl-alpha-D-galactosamine residue at the reducing end of which is also linked (1->3) a further beta-D-galactose residue. It is an amino heptasaccharide, a galactosamine oligosaccharide and a glucosamine oligosaccharide.
The molecule <smiles>NC1=C(C=CC=C1)C1=NC2=C(N1)C=CC=C2</smiles> is A member of the class of benzimidazoles that is 1H-benzimidazole substituted by a 2-aminophenyl group at position 2. It has the role of geroprotector.   It is also related to or classified as primary arylamine . It is also related to or classified as benzimidazoles, substituted aniline.
The molecule <smiles>C1(=CC=C(C=C1NC(C)=O)C(O)=O)O</smiles> is A monohydroxybenzoic acid that is 4-hydroxybenzoic acid in which the hydrogen at position 3 has been replaced by an acetamido group. Its functional parent is 3-amino-4-hydroxybenzoic acid. It is a conjugate acid of 3-acetamido-4-hydroxybenzoate. It is also related to or classified as N-acetylarylamine . It is also related to or classified as monohydroxybenzoic acid.
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)/C=C/C8=CC=CC=C8)OC(=O)C)O</smiles> is a steroid saponin isolated from Ornithogalum saundersiae and Galtonia candicans and has been shown to exhibit cytotoxic activity. It has a role as a metabolite and an antineoplastic agent. It is a beta-D-glucoside, a 17-hydroxy steroid, an acetate ester and a cinnamate ester. It derives from a trans-cinnamic acid.
The molecule <smiles>P(/C=C/[N+](C)(C)C)(O)([O-])=O</smiles> is major species at pH 7.3. It is also related to or classified as zwitterion .
The molecule <smiles>S([C@]12C(=O)C3=C(C(O)=CC=C3)C([C@]1(O)[C@@H](O[C@H](C2)CC(=O)OC)C)=O)[C@]45C(=O)C6=C(C(O)=CC=C6)C([C@]4(O)[C@@H](O[C@H](C5)CCO[C@H]7O[C@@H](C(=O)O)[C@H](O)[C@H]([C@@H]7O)O)C)=O</smiles> is Naquihexcin J. It is also related to or classified as glycoside . It is also related to or classified as benzochromenone.
The molecule <smiles>O1[C@@]2([C@@]([C@H](C(=O)C2)CCC(=O)CCCCC(O)=O)(CCC1=O)[H])[H]</smiles> is Cyclopenta[b]pyran-5-octanoic acid, octahydro-.epsilon.,2,6-trioxo-, (4aR,5R,7aS)-. It is also related to or classified as oxo carboxylic acid.
The molecule <smiles>Oc1cc(ccc1OS(O)(=O)=O)-c1oc2cc(OS(O)(=O)=O)cc(O)c2c(=O)c1OS(O)(=O)=O</smiles> is A quercetin trissulfate having the three sulfo groups placed at the 3-, 4'- and 7-positions. It is also related to or classified as quercetin trissulfate, dihydroxyflavone.
The molecule <smiles>CC(C)(C(=O)O)O</smiles> is a 2-hydroxy monocarboxylic acid that is isobutyric acid bearing a hydroxy substituent at position 2. It is a metabolite of methyl tertiary-butyl ether. It has a role as a human xenobiotic metabolite. It derives from an isobutyric acid. It is a conjugate acid of a 2-hydroxyisobutyrate.
The molecule <smiles>CCOC(CCN)OCC</smiles> is A diether that is (ethoxymethoxy)ethane substituted by a 2-aminoethyl group at position 1. It is also related to or classified as diether, primary amino compound.
The molecule <smiles>[C@H]1(CCCCCCCC(=O)[O-])[C@@H](CCCCCCCC)O1</smiles> is A 9,10-epoxyoctadecanoate that is the conjugate base of (9S,10R)-epoxyoctadecanoic acid arising from deprotonation of the carboxylic acid function; major species at pH 7.3. It is also related to or classified as 9,10-epoxyoctadecanoate .
The molecule <smiles>CNC(=O)SC1=CC=C(C=C1)OS(=O)(=O)C</smiles> is a monothiocarbamic ester that is phenyl methanesulfonate in which the hydrogen at position 4 is replaced by a (methylcarbamoyl)sulfanediyl group. It is a fungicide used for the treatment of a range of fungal diseases in rice. It is a monothiocarbamic ester and a methanesulfonate ester.
The molecule <smiles>O=C1N2C(OCC2)(CC=3C1=C(O)C=4C5=C(O)C=6C(=O)C7=C(C(O)C(OC8OC(C(OC9OC(C(O)C(C9)OC)C)CC8)C)CC7O)OC6C%10=C5C(OCO%10)CC4C3)C</smiles> is Kigamicin C. It is also related to or classified as glycoside . It is also related to or classified as benzochromenone.
The molecule <smiles>C1CN(CC=C1C2=CC=CC=C2)CCCCC3=CNC4=C3C=C(C=C4)C(=O)O.Cl</smiles> is a hydrochloride salt obtained by reaction of carmoxirole with one equivalent of hydrochloric acid. Selective, peripherally acting dopamine D2 receptor agonist. Modulates noradrenalin release and sympathetic activation. Displays antihypertensive properties in vivo. It has a role as a dopamine agonist, an antihypertensive agent and a platelet aggregation inhibitor. It contains a carmoxirole(1+).
The molecule <smiles>CCCC1=C(N(N=C1C2=CC=C(C=C2)O)C3=CC=C(C=C3)O)C4=CC=C(C=C4)O</smiles> is a pyrazole that is 1H-pyrazole bearing three 4-hydroxyphenyl substituents at positions 1, 3 and 5 as well as a propyl substituent at position 4. Potent, subtype-selective estrogen receptor agonist (EC50 ~ 200 pM); displays 410-fold selectivity for ERalpha over ERbeta. Prevents ovariectomy-induced weight gain and loss of bone mineral density, and induces gene expression in the hypothalamus following systemic administration in vivo. It has a role as an estrogen receptor agonist. It is a member of pyrazoles and a member of phenols.
The molecule <smiles>[Ru+3]</smiles> is ruthenium(3+).  It is also related to or classified as monoatomic trication . It is also related to or classified as ruthenium cation.
The molecule <smiles>C=1(C=2C(C3=C(C(C2)=O)C(=C4C(=C3[O-])[C@H](O[C@@H](C4)CC(=O)[O-])C)O)=O)C(=O)C5=C(C=6[C@H](O[C@@H](CC6C(=C5C(=O)C1)O)CC(=O)[O-])C)O</smiles> is A dicarboxylic acid anion obtained by deprotonation of the carboxy groups as well as the 10'-hydroxy group of actinorhodin. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is also related to or classified as dicarboxylic acid anion.
The molecule <smiles>[C-]#[NH+]</smiles> is hydrogen isocyanide. It is a conjugate acid of cyanide. It is also related to or classified as hydracid .
The molecule <smiles>C=1(C=NC=CC1)C2CCCCN2S(=O)(=O)C3=CC=C(C=C3)NC(=O)C</smiles> is A sulfonamide in which the nitrogen is the piperidinyl nitrogen of a 2-(pyridin-3-yl)piperidin-1-yl group and the sulfonyl sulfur carries a 4-acetamidophenyl substituent.    It is also related to or classified as sulfonamide . It is also related to or classified as acetamides, piperidines, pyridines.
The molecule <smiles>CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCC[NH3+])C(=O)N2CCC[C@H]2C(=O)[O-])NC(=O)[C@@H]3CCC(=O)N3</smiles> is a peptide anion of neurotensin (1-7) resulting from the deprotonation of the carboxy groups of L-alpha-glutamyl and L-proline residues, and protonation of the side chain of L-lysyl group. It is the major species at pH 7.3. It is a conjugate base of a neurotensin (1-7).
The molecule <smiles>CC([C@H]1CC[C@]2([C@@]1([H])CCC(C)=CCCC(C)=CC2)C)=C</smiles> is A bicyclic diterpene natural product.   It is also related to or classified as diterpene . It is also related to or classified as dolabellane diterpenoid, bicyclic compound.
The molecule <smiles>[C@@H]1(CCCCCCCC(=O)[O-])[C@H](CCCCCCCC)O1</smiles> is A 9,10-epoxyoctadecanoate that is the conjugate base of (9R,10S)-9,10-epoxyoctadecanoic acid arising from deprotonation of the carboxylic acid function; major species at pH 7.3. It is also related to or classified as 9,10-epoxyoctadecanoate .
The molecule <smiles>C1(=CC=C(C=C1)NC(=O)C)S(=O)(N2C(CCCC2)C3=NC=4C=CC=CC4S3)=O</smiles> is A sulfonamide in which the nitrogen is the piperidinyl nitrogen of a 2-(1,3-benzothiazol-2-yl)piperidin-1-yl group and the sulfonyl sulfur carries a 4-acetamidophenyl substituent. It is also related to or classified as sulfonamide .
The molecule <smiles>N(C(CCCCCCCCCC(C)C)=O)[C@@H](CC1=CC=CC=C1)C([O-])=O</smiles> is major species at pH 7.3. It is also related to or classified as monocarboxylic acid anion . It is also related to or classified as N-acyl-L-phenylalanine .
The molecule <smiles>O=C1N2[C@H](C(=O)O[C@H](/C(=C/[C@H]3C[C@@H](OC)[C@H](O)CC3)/C)[C@@H]([C@@H](O)CC(=O)[C@H](C)C=C(C[C@@H](C[C@@H]([C@H]4O[C@](C1=O)(O)[C@@H](C[C@@H]4OC)C)OC)C)C)C)CCCC2</smiles> is FR-900523. It is also related to or classified as lactam . It is also related to or classified as macrolide .
The molecule <smiles>C[C@@H]1C(=O)C(=O)C[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</smiles> is a dTDP-sugar having 3,4-didehydro-2,6-dideoxy-alpha-D-glucose as the sugar component. It has a role as a bacterial metabolite. It derives from a dTDP-D-glucose. It is a conjugate acid of a dTDP-3,4-didehydro-2,6-dideoxy-alpha-D-glucose(2-).
The molecule <smiles>O1C(CCCC1=O)C(O)C/C=C\C/C=C\C/C=C\CCCCC</smiles> is 5,6-Dihydroxy-8Z,11Z,14Z-eicosatrienoic acid, 1,5-lactone. It is also related to or classified as long-chain fatty alcohol .
The molecule <smiles>CN[C@@H](Cc1ccccc1)C(O)=O</smiles> is A phenylalanine derivative consisting of L-phenylalanine having a methyl substuent attached to the alpha-amino function. It is also related to or classified as N-methyl-L-alpha-amino acid, L-phenylalanine derivative.
The molecule <smiles>C[C@H](C(=O)O[C@H](C)C(=O)[O-])[NH3+]</smiles> is a zwitterion obtained by transfer of a proton from the carboxylic acid group to the amino group of D-alanyl-(R)-lactic acid. The major species at pH 7.3. It is a tautomer of a D-alanyl-(R)-lactic acid.
The molecule <smiles>[H]OP(=O)(O[H])O[H]</smiles> is A phosphorus oxoacid that consists of one oxo and three hydroxy groups joined covalently to a central phosphorus atom. It has the role of NMR chemical shift reference compound. It has the role of fertilizer. It has the role of solvent. It has the role of human metabolite. It has the role of algal metabolite. It is a conjugate acid of phosphate ion. It is a conjugate acid of dihydrogenphosphate. It is also related to or classified as phosphoric acids.
The molecule <smiles>[C@@H]1(CCCCCCCC(=O)[O-])[C@H](CCCCCCCCO)O1</smiles> is A 9,10-epoxy-18-hydroxyoctadecanoate that is the conjugate base of (9R,10S)-9,10-epoxy-18-hydroxyoctadecanoic acid arising from deprotonation of the carboxylic acid function; major species at pH 7.3. It is also related to or classified as 9,10-epoxy-18-hydroxyoctadecanoate .
The molecule <smiles>CN(C)CCOC(C1=CC=C(C=C1)Cl)C2=CC=CC=N2.C(=C\\C(=O)O)\\C(=O)O</smiles> is the maleic acid salt of carbinoxamine. An ethanolamine-type antihistamine, used for treating hay fever, as well as mild cases of Parkinson's disease. It has a role as a H1-receptor antagonist, an anti-allergic agent, a muscarinic antagonist and an antiparkinson drug. It contains a carbinoxamine.
The molecule <smiles>O=C1C2=C(C=3C(=CC(=C4C3[C@@]1(OC4=O)C)O)/C=C/C=C/C=C/C)C[C@@H](CO)OC2</smiles> is Acetosellin. It is also related to or classified as organic heterotricyclic compound, organooxygen compound.
The molecule <smiles>CC1=CC(=CC(=C1O)C/C=C(\\C)/CC/C=C(\\C)/CC/C=C(\\C)/CCC=C(C)C)O</smiles> is a polyprenylhydroquinone that is 2-methylbenzene-1,4-diol substituted by a geranylgeranyl group at position 6. It is a polyprenylhydroquinone and a member of hydroquinones.
The molecule <smiles>COc1cc(O)c2c(c1)oc1c(OC)c(O)ccc1c2=O</smiles> is A member of the class of xanthones that is 9H-xanthen-9-one substituted by methoxy groups at positions 3 and 5 and hydroxy groups at positions 1 and 6. It has the role of plant metabolite. It is also related to or classified as polyphenol, aromatic ether, xanthones.
The molecule <smiles>CC(=O)C1=NCCC1</smiles> is a pyrroline that is 1-pyrroline in which the hydrogen at position 2 is replaced by an acetyl group. It is an aroma and flavour compound present in jasmine rice and basmati rice. It is responsible for the 'popcorn' aroma in a large variety of cereal and food products. It is one of the key odourants of the crust of bread and considered to be responsible for the cracker-like odour properties. In bread, it is primarily generated during baking but amounts are influenced by ingredient composition and fermentation conditions. It has a role as a metabolite, a flavouring agent and a Maillard reaction product. It is a methyl ketone, a pyrroline and an acylimine.
The molecule <smiles>CC1C(C(CC(O1)OC2C(C(C(C3=CC4=C(C(=C23)O)C(=O)C5=C(C=CC(=C5C4=O)OC)O)O)(C)O)OC)(C)N(C)C)O</smiles> is an anthracycline antibiotic isolated from the culture broth of Nocardia sp. MJ896-43F17. It exhibits significant antimycobacterial activity against several drug-resistant Mycobacterium smegmatis strains. It has a role as an antimycobacterial drug. It is an anthracycline antibiotic, an aminoglycoside, a deoxy hexoside, an aromatic ether and a tertiary amino compound.
The molecule <smiles>[H][C@@]1(Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCCNC(N)=N)NC(=O)CCSSC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(N)=O</smiles> is A synthetic homodetic cyclic peptide comprising N(alpha)-(3-sulfanylpropanoyl)homoarginyl, glycyl, aspartyl, tryptophyl, prolyl and cysteinamide residues connected in sequence and cyclised via a disulfide bond. Derived from a protein found in the venom of the southeastern pygmy rattlesnake, Sistrurus miliarus barbouri, eptifibatide is an anti-coagulant that inhibits platelet aggregation by selectively blocking the platelet glycoprotein IIb/IIIa receptor, so preventing the binding of fibrinogen, von Willebrand factor, and other adhesive ligands. It is used in the management of unstable angina and in patients undergoing coronary angioplasty and stenting procedures. It has the role of anticoagulant. It has the role of platelet aggregation inhibitor.  It is also related to or classified as organic disulfide . It is also related to or classified as macrocycle . It is also related to or classified as homodetic cyclic peptide.
The molecule <smiles>C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(C[C@@H]([C@]2(C[C@@H]([C@@H]1O)O)[H])O)[H])(CC[C@@]4([C@@H]([C@H]([C@@H](CC(C)C)O)O)C)[H])[H])C)[H])C</smiles> is 6alpha-hydroxy-28-norcastasterone. It is also related to or classified as a C27-steroid .  It is also related to or classified as 3alpha-hydroxy steroid . It is also related to or classified as phytosteroid, 6alpha-hydroxy steroid, 2alpha-hydroxy steroid, 22-hydroxy steroid, 23-hydroxy steroid.
The molecule <smiles>[NH3+][C@@H](CCC(=O)N[C@@H](CS)C([O-])=O)C([O-])=O</smiles> is conjugate base of L-gamma-glutamyl-L-cysteine arising from deprotonation of both carboxy groups and 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 also related to or classified as peptide anion.
The molecule <smiles>[C@]12([C@]([C@]3([C@](CC1)([C@@]4(C(=CC(CC4)=O)C=C3)C)[H])[H])(CC[C@@]2([C@@H](CCCC(C)C)C)[H])[H])C</smiles> is cholest-4,6-dien-3-one. It is also related to or classified as 3-oxo-Delta(4) steroid . It is also related to or classified as cholestanoid.
The molecule <smiles>CC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O</smiles> is an N-acetyltyrosine in which the chiral centre has L configuration. It has a role as an EC 2.1.1.4 (acetylserotonin O-methyltransferase) inhibitor, a biomarker and a human urinary metabolite. It is a N-acyl-L-tyrosine and a N-acetyltyrosine. It is a conjugate acid of a N-acetyl-L-tyrosinate.
The molecule <smiles>[O-]C(=O)CC\C(=C\C([O-])=O)C([O-])=O</smiles> is tricarboxylate anion of but-1-ene-1,2,4-tricarboxylic acid; major species at pH 7.3. It has the role of Saccharomyces cerevisiae metabolite. It is also related to or classified as tricarboxylic acid trianion.
The molecule <smiles>[C@H]1(CCCCCCCC(=O)[O-])[C@@H](CCCCCCCCO)O1</smiles> is A 9,10-epoxy-18-hydroxyoctadecanoate that is the conjugate base of (9S,10R)-9,10-epoxy-18-hydroxyoctadecanoic acid arising from deprotonation of the carboxylic acid function; major species at pH 7.3. It is also related to or classified as 9,10-epoxy-18-hydroxyoctadecanoate .
The molecule <smiles>Cl[C@@H]1C(=O)N[C@@H]([C@@H]1OC2=CC=C(O)C=C2)CO</smiles> is Aegyptolidine B. It is also related to or classified as phenols . It is also related to or classified as aromatic ether.
The molecule <smiles>CCCCN1CCCCC1C(=O)NC2=C(C=CC=C2C)C</smiles> is a piperidinecarboxamide obtained by formal condensation of the carboxy group of N-butylpipecolic acid with the amino group of 2,6-dimethylaniline. It is a piperidinecarboxamide, an aromatic amide and a tertiary amino compound. It is a conjugate base of a 1-butyl-2-[(2,6-dimethylphenyl)carbamoyl]piperidinium.
The molecule <smiles>c1cn2cnc3nc[nH]c3c2n1</smiles> is 1H-imidazo[2,1-i]purine. It has the role of mutagen. Its functional parent is adenine. It is also related to or classified as imidazo[2,1-i]purine.
The molecule <smiles>O(C[C@@H](C(CO)=O)O)P(O)(=O)O</smiles> is A ketotetrose phosphate that is L-erythrulose carrying a phosphono substituent at position O-4. It has the role of bacterial metabolite. Its functional parent is L-erythrulose. It is a conjugate acid of L-erythrulose 4-phosphate(2-). It is also related to or classified as ketotetrose phosphate.
The molecule <smiles>C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OP(=O)([O-])[O-])O)O)O)O</smiles> is an organophosphate oxoanion that is the dianion of alpha-D-mannose 1-phosphate. It has a role as a human metabolite. It derives from an alpha-D-mannose. It is a conjugate base of an alpha-D-mannose 1-phosphate.
The molecule <smiles>CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\[C@@H]1[C@@H](COP(O)(=O)OP(O)(O)=O)[C@]1(C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C</smiles> is the (1R,2R,3R)-diastereomer of prephytoene diphosphate. It is a conjugate acid of (1R,2R,3R)-prephytoene diphosphate(3-). It is also related to or classified as prephytoene diphosphate .
The molecule <smiles>C1[C@@]2(CCCN1)[C@@H](CCCC2)O</smiles> is A azaspiro compound that is 2-azaspiro[5.5]undecane carrying a hydroxy substituent at position 7 (the 6R,7R-diastereomer). A synthetic Nitraria alkaloid. It has the role of hypoglycemic agent.  It is also related to or classified as secondary alcohol . It is also related to or classified as azaspiro compound.
The molecule <smiles>C1(C(O)=O)=CC=CC(=C1NS(C=2N=C3C=C(F)N=C(OCC)N3N2)(=O)=O)Cl</smiles> is A sulfonamide resulting from the formal condensation of the sulfonic acid group of 5-ethoxy-7-fluoro[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonic acid with the amino group of 2-amino-3-chlorobenzoic acid. The methyl ester of cloransulam, generally known as cloransulam-methyl, is used as a herbicide for the control of post-emergence control of broad-leaved weeds in soybeans. It has the role of herbicide.  It is also related to or classified as sulfonamide .  It is also related to or classified as organofluorine compound . It is also related to or classified as monocarboxylic acid, aromatic ether, triazolopyrimidines, monochlorobenzenes.
The molecule <smiles>C[C@@]1([H])[C@@]([H])([C@]([H])([C@]([H])([C@]([H])(OC[C@]2([H])[C@]([H])([C@@]([H])([C@]([H])([C@@]([H])(O2)OC=3C(C4=C(C=C(C=C4OC3C=5C=CC(=C(C5)O)O)O)O)=O)O)O)O)O1)O)O)O.O</smiles> is rutin hydrate. It has the role of antioxidant. It is also related to or classified as organic molecular entity.
The molecule <smiles>O=C(O)C[C@H](OC)/C=C\C=C\C=C/C=C/C=C\[C@@H]([C@H](O)[C@@H]([C@@H](O)[C@H](CC[C@H](O)C[C@@H](OC)[C@H]([C@H](O)[C@@H]([C@@H](O)[C@@H](C/C(=C/C)/C)C)C)C)C)C)C</smiles> is Spirangien Q. It is also related to or classified as very long-chain fatty acid .
The molecule <smiles>O1[C@@H]([C@@H](O)C(O)C(O)[C@@H]1OC=2C3=C4C(OC2C5=CC(O)=C(O)C=C5)=CC(=[OH+])C=C4OC(=C3)C(O)=O)CO</smiles> is 5-Carboxypyranocyanidin 3-O-beta-glucopyranoside. It is also related to or classified as glycoside . It is also related to or classified as flavonoids.
The molecule <smiles>CC(=O)N[C@@H]1[C@H](CC(O[C@H]1[C@@H]([C@@H](CO[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)(C(=O)O)O)O</smiles> is a member of the class of neuraminic acids that is N-acetylneuraminic acid in which the hydroxy group at position 9 has been glycosylated by a beta-D-galactopyranosyl group. It is a member of neuraminic acids and a beta-D-galactoside. It derives from a N-acetylneuraminic acid.
The molecule <smiles>N[C@@H]1[C@@H](O)C=CC=C1C(O)=O</smiles> is A 2,3-dihydro-3-hydroxyanthranilic acid in which both stereocentres have S-configuration. It is also related to or classified as 2,3-dihydro-3-hydroxyanthranilic acid .
The molecule <smiles>C(OCOC(C(C)(C)C)=O)(=O)C=1N2[C@@]([C@@H](C2=O)NC(/C(=N\OC)/C=3N=C(SC3)N)=O)(SCC1CN4N=C(N=N4)C)[H]</smiles> is Cefteram pivoxil. It is also related to or classified as pivaloyloxymethyl ester .  It is also related to or classified as cephams . It is also related to or classified as oxime O-ether . It is also related to or classified as tetrazoles, 1,3-thiazoles.
The molecule <smiles>C(C(C(=O)[O-])[NH3+])S</smiles> is an amino acid zwitterion. It is a conjugate base of a cysteinium. It is a conjugate acid of a cysteinate(1-). It is a tautomer of a cysteine.
The molecule <smiles>C=1C(=CC2=C(C1O)C([C@@H]([C@H](O2)C=3C=CC(=CC3)O)O[C@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)CO)O)O)O)=O)O</smiles> is Engeletin. It is also related to or classified as glycoside . It is also related to or classified as flavonoids.
The molecule <smiles>OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(C(O)C(O)=O)c(=O)[nH]c1=O</smiles> is uridine bearing an additional carboxy(hydroxy)methyl substituent at position 5. It is also related to or classified as uridines, 2-hydroxy monocarboxylic acid.