mingxuzhang/ChEBI-Augmented huggingface dataset:
The molecule <smiles>C([C@@H](CCP(=O)(C)O)N)(O)=O</smiles> is A 2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid that has R configuration at position 2. The enantiomer of glufosinate-P. It is also related to or classified as 2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid .
The molecule <smiles>[H][C@@]1(O[C@](O)([C@@H](O)[C@@H](O)[C@H]1O)C(O)=O)[C@H](O)CO</smiles> is an octose sugar sometimes found in Gram-negative bacteria as a lipopolysaccharide constituent, in combination with its 3-deoxy derivative (alpha-D-Kdo).   It is also related to or classified as aldooctose . It is also related to or classified as monocarboxylic acid, carbohydrate acid.
The molecule <smiles>O=C/1N[C@H](C(=O)N\C1=C/C=2C3=C(C=CC(=C3)C[C@@H](O)C(=C)C)NC2C(C=C)(C)C)C</smiles> is Variecolorin C. 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](CCP(=O)(C)O)N)(O)=O</smiles> is A 2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid that has S configuration at position 2. A glutamine synthetase inhibitor, it is used (generally as the corresponding ammonium or sodium salts, known as glufosinate-P-ammonium and glufosinate-P-sodium, respectively) as a herbicide to control annual weeds and grasses. It has the role of EC 6.3.1.2 (glutamate--ammonia ligase) inhibitor. It has the role of herbicide. It has the role of agrochemical. It is also related to or classified as 2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid .
The molecule <smiles>C=1C=CC2=C(C1)SC(=N2)OCC(=O)N(C)C3=CC=CC=C3</smiles> is mefenacet. It has the role of herbicide. It has the role of antimitotic. It is also related to or classified as tertiary carboxamide . It is also related to or classified as benzothiazoles.
The molecule <smiles>CC(C)=CCc1cccc2c(C[C@H](N)C(O)=O)c[nH]c12</smiles> is an L-tryptophan derivative that is the 7-(3,3-dimethylallyl) derivative of L-tryptophan. It is also related to or classified as L-tryptophan derivative, non-proteinogenic L-alpha-amino acid.
The molecule <smiles>O=C1N(C(O)(C(=O)O)CC1)C(C(=O)O)CCNC(=O)CC(C(=O)O)C(=O)NCCCN(O)C(=O)CCCCCCCCC</smiles> is Baumannoferrin B. Its functional parent is alpha-amino acid. It is also related to or classified as organonitrogen compound, organooxygen compound.
The molecule <smiles>CC12CC3CC(C)(C1)CC(N)(C3)C2</smiles> is A primary aliphatic amine that is the 3,5-dimethyl derivative of 1-aminoadamantane. A low to moderate affinity uncompetitive (open-channel); NMDA receptor antagonist which binds preferentially to the NMDA receptor-operated cation channels. It has the role of antidepressant. It has the role of antiparkinson drug. It has the role of dopaminergic agent. It has the role of NMDA receptor antagonist. It has the role of neuroprotective agent. It is also related to or classified as primary aliphatic amine . It is also related to or classified as adamantanes.
The molecule <smiles>O[C@@H]([C@@H](O)CO)[C@H](O)C(O)=O</smiles> is A ribonic acid having L-configuration. It has the role of bacterial metabolite. It is also related to or classified as ribonic acid.
The molecule <smiles>C(C(CCP(=O)(C)O)N)(O)=O</smiles> is A non-proteinogenic alpha-amino acid that is 2-aminobutanoic acid which is substituted at position 4 by a hydroxy(methyl)phosphoryl group. It is also related to or classified as phosphinic acids, non-proteinogenic alpha-amino acid.
The molecule <smiles>O=C(O[C@H]1[C@]2(O[C@@]([C@@H]1O)(O[C@@H]([C@@]2(O)C(=O)O)C(=O)O)CCC(=C)[C@@H](O)[C@@H](CC3=CC=CC=C3)C)C(=O)O)/C=C/[C@H](C[C@H](CC)C)C</smiles> is Squalestatin S2. Its functional parent is tetracarboxylic acid. It is also related to or classified as organooxygen compound.
The molecule <smiles>N[C@@H](CSCCB(O)O)C(O)=O</smiles> is l-cysteine substituted at sulfur by a 2-boronoethyl group. It is also related to or classified as L-cysteine thioether, organoboron compound, non-proteinogenic L-alpha-amino acid.
The molecule <smiles>CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C1=CCC=CC1</smiles> is an acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of cyclohexa-1,4-diene-1-carboxylic acid. Its functional parent is coenzyme A. It is also related to or classified as acyl-CoA .
The molecule <smiles>N[C@@H](Cc1cncn1[C@@H]([C@H](N)C(O)=O)c1ccc(O)cc1)C(O)=O</smiles> is an L-tyrosine in which one of the beta-hydrogens in L-tyrosine is replaced by a L-histidino group joined via the N(pros)-position. It is also related to or classified as L-tyrosine derivative, non-proteinogenic L-alpha-amino acid.
The molecule <smiles>C1[C@@]2([C@]3(CC[C@]4([C@](C3=CC[C@]2([C@@H]([C@H](C1)O)C(=O)O)[H])(CC[C@@]4([C@@H](CCC(C(C)C)=C)C)[H])[H])C)[H])C</smiles> is A steroid acid resulting from the formal oxidation of the formyl group of 4alpha-formyl-ergosta-7,24(28)-dien-3beta-ol to the corresponding carboxylic acid. Its functional parent is 4alpha-formyl-ergosta-7,24(28)-dien-3beta-ol. It is a conjugate acid of 3beta-hydroxy-5alpha-ergosta-7,24(28)-diene-4alpha-carboxylate. It is also related to or classified as steroid acid.
The molecule <smiles>O=C1C(=C(OC)C2=C3OC(=CC(=C3C(=CC2=C1)O)O)C)C4=C5OC(=CC(C5=C(O)C=6C4=CC(OC)=CC6OC)=O)C</smiles> is Asperpyrone A. It is also related to or classified as organic heterotricyclic compound, organooxygen compound.
The molecule <smiles>C1[C@@]2([C@]3(CC[C@]4([C@](C3=CC[C@]2([C@@H]([C@H](C1)O)C(=O)[O-])[H])(CC[C@@]4([C@@H](CCC(C(C)C)=C)C)[H])[H])C)[H])C</smiles> is A steroid acid anion resulting from the deprotonation of the carboxy group of 3beta-hydroxy-5alpha-ergosta-7,24(28)-diene-4alpha-carboxylic acid. The major species at pH 7.3. It is also related to or classified as steroid acid anion.
The molecule <smiles>Nc1ccc(Cc2ccc(N)cc2)cc1</smiles> is an aromatic amine that is diphenylmethane substituted at the 4-position of each benzene ring by an amino group. It has the role of carcinogenic agent. It has the role of allergen. It is also related to or classified as aromatic amine.
The molecule <smiles>O=C(OC)CCCCCCCCCCCC(C)C</smiles> is methyl 13-methyltetradecanoate. It is also related to or classified as fatty acid methyl ester .
The molecule <smiles>O=C1C=C[C@@H]([C@]1(O)C(O)CCCCCCCCCCCCCC)OC(=O)C</smiles> is 4-O-acetyl hygrophorone A14. It is also related to or classified as long-chain fatty alcohol .
The molecule <smiles>C1[C@@]([C@@]2([C@@](C1)(C3=CC[C@@]4([H])[C@H](C=O)[C@@H](O)CC[C@]4(C)[C@]3(CC2)[H])[H])C)([C@H](C)CCC(=C)C(C)C)[H]</smiles> is A 3beta-sterol that is 5alpha-ergosta-7,24(28)-diene which is substituted at the  3beta and 4alpha positions by hydroxy and formyl groups, respectively. Its functional parent is 4alpha-hydroxymethyl-5alpha-ergosta-7,24(28)-dien-3beta-ol. It is also related to or classified as Delta(7)-sterol . It is also related to or classified as 4alpha-formyl steroid .  It is also related to or classified as 3beta-hydroxy steroid . It is also related to or classified as phytosterols.
The molecule <smiles>BrC1=C(OC2=C(Br)C=C(Br)C=C2)C(O)=CC=C1OC3=C(Br)C=C(OC4=CC(Br)=C(O)C=C4)C=C3OC5=C(Br)C=C(Br)C=C5</smiles> is Crobetabyanol A.  It is also related to or classified as organobromine compound . It is also related to or classified as aromatic ether.
The molecule <smiles>[H]C(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(C)C</smiles> is A tetrapeptide consisting of two L-aspartic acid residues, an L-glutamyl residue and an L-valine residue with an acetyl group at the N-terminal and with the C-terminal carboxy group reduced to an aldehyde. It is an inhibitor of caspase-3/7. It has the role of protease inhibitor. It is also related to or classified as tetrapeptide .
The molecule <smiles>O=C1N2[C@](OC[C@@H]2C(=O)O)(CC=3C1=C(O)C=4C5=C(O)C=6C(=O)C7=C(C(O)=CC=C7)C(C6C=C5CCC4C3)=O)C</smiles> is TMC-66. It is also related to or classified as quinone . It is also related to or classified as tetracenes.
The molecule <smiles>C1[C@@]([C@@]2([C@@](C1)(C3=CC[C@@]4([H])[C@H](CO)[C@@H](O)CC[C@]4(C)[C@]3(CC2)[H])[H])C)([C@H](C)CCC(=C)C(C)C)[H]</smiles> is A 3beta-sterol that is 24-methylidenelophenol in which the methyl group at position 4 has been oxidised to the corresponding hydroxymethyl group. Its functional parent is 24-methylidenelophenol. It is also related to or classified as Delta(7)-sterol . It is also related to or classified as 3beta-sterol . It is also related to or classified as 3beta-hydroxy steroid .
The molecule <smiles>C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](O)[C@@H]2NC(C)=O)[C@H](O)[C@H](O)[C@H]1O</smiles> is an amino disaccharide consisting of N-acetyl-beta-D-glucosamine having an alpha-L-rhamnosyl residue attached at the 3-position. It is also related to or classified as amino disaccharide.
The molecule <smiles>O=C1C2=C(O)C3=C([C@@H](O[C@@H]4O[C@H]([C@@H](O)[C@H](C4)N(C)C)C)[C@@](O)(CC)CC3)C(=C2C(=O)C=5C1=C(O)C=CC5)O</smiles> is Iremycin. It is also related to or classified as quinone . It is also related to or classified as tetracenes.
The molecule <smiles>C1=CC=C(C(=C1C(O)=O)S(NC(NC2=NC(=NC(=N2)N(C)C)OCC(F)(F)F)=O)(=O)=O)C</smiles> is an N-sulfonylurea that is urea in which a hydrogen attached to one of the nitrogens has been replaced by a (2-carboxy-6-methylphenyl)sulfonyl group, while a hydrogen attached to the other nitrogen has been replaced by a 4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl group. An acetolactate synthase inhibitor, it is used (generally as the corresponding methyl ester proherbicide) to control annual and perennial broad-leaved weeds in sugar beet and other crops. It has the role of EC 2.2.1.6 (acetolactate synthase) inhibitor. It has the role of herbicide. It has the role of agrochemical.    It is also related to or classified as organofluorine compound .  It is also related to or classified as N-sulfonylurea . It is also related to or classified as benzoic acids, 1,3,5-triazines, aromatic ether, tertiary amino compound.
The molecule <smiles>OC(=O)[C@H]1COP(O)(=O)OP(O)(=O)O1</smiles> is cyclic 2,3-bisphospho-D-glyceric acid. Its functional parent is D-glyceric acid. It is a conjugate acid of cyclic 2,3-bisphospho-D-glycerate(3-). It is also related to or classified as bisphosphoglyceric acid.
The molecule <smiles>O=C1C2=C(OC=C1C3=CC=C(O)C=C3)C=C(O[C@@H]4OC(C(OC)[C@H]([C@@H]4O)O)CO)C=C2O</smiles> is 5,7,4′-trihydroxyisoflavone-7-O-(4′′-O-methyl)-beta-D-glucopyranoside. It is also related to or classified as acrovestone . It is also related to or classified as isoflavonoid.
The molecule <smiles>C[C@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C</smiles> is Methandriol. It has the role of androgen. It is also related to or classified as 3-hydroxy steroid.
The molecule <smiles>[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=CC=C(O)C=C3C[C@@H](CCCCCCCCCCC(=O)N(C)CCCC)[C@@]21[H]</smiles> is A 3-hydroxy steroid that is 17beta-estradiol substituted by a 11-[butyl(methyl)amino]-11-oxoundecyl group at position 7R. It is a steroidal antioestrogen that inhibits the cell proliferation of breast-carcinoma cell lines. It has the role of antineoplastic agent. It has the role of anti-estrogen. It has the role of estrogen receptor antagonist. Its functional parent is 17beta-estradiol. It is also related to or classified as tertiary carboxamide . It is also related to or classified as 17beta-hydroxy steroid . It is also related to or classified as 3-hydroxy steroid.
The molecule <smiles>[C@]123[C@@]4([C@]([C@]([C@@H](O)CC4)(C)C(=O)O)(CC[C@]1([C@]5(C)CC[C@@]([C@]5(CC2)C)([C@@H](CCC=C(C)C)C)[H])[H])[H])C3</smiles> is A steroid acid that is 4beta,14-dimethyl-5alpha,9beta-9,19-cyclocholest-24-en-3beta-ol in which the 4alpha hydrogen has been replaced by a carboxy group. It is a conjugate acid of 3beta-hydroxy-9beta-9,19-cyclolanost-24-en-28-oate.    It is also related to or classified as 3beta-sterol .   It is also related to or classified as 3beta-hydroxy steroid . It is also related to or classified as monocarboxylic acid, pentacyclic triterpenoid, phytosterols, steroid acid, cyclopropanes.
The molecule <smiles>O=C1N([C@H](C(=O)N[C@H]1CC2=CC=CC=C2)CC3=CC=C(O)C=C3)C</smiles> is Cyclo(Phenylalanyl-N-methyltyrosyl). Its functional parent is alpha-amino acid. It is also related to or classified as organonitrogen compound, organooxygen compound.
The molecule <smiles>[C@]123[C@@]4([C@]([C@]([C@@H](O)CC4)(C)C(=O)[O-])(CC[C@]1([C@]5(C)CC[C@@]([C@]5(CC2)C)([C@@H](CCC=C(C)C)C)[H])[H])[H])C3</smiles> is A steroid acid anion resulting from the deprotonation of the carboxy group of 3beta-hydroxy-9beta-9,19-cyclolanost-24-en-28-oic acid. The major species at pH 7.3. It is also related to or classified as steroid acid anion.
The molecule <smiles>O=C(O)/C=C/C=C/C=C/[C@@H]1[C@@H](C(=C[C@H]2[C@H]1CC=C(C2)C)C)[C@]3(O[C@@H]3[C@@H](CC)C)C</smiles> is Pyrenulic acid A. It is also related to or classified as medium-chain fatty acid .
The molecule <smiles>Cl[C@@H]1C=C2C(=O)C3=C(O)C4=C(O)C=C3C([C@]2(CC=C(CC[C@H](C(C4)=C)O)C)OC1(C)C)=O</smiles> is Napyradiomycin 3. It is also related to or classified as organic heterotricyclic compound, organooxygen compound.
The molecule <smiles>COc1nn(CSP(=S)(OC)OC)c(=O)s1</smiles> is methidathion. It has the role of acaricide. It has the role of agrochemical. It has the role of EC 3.1.1.7 (acetylcholinesterase) inhibitor. Its functional parent is 5-methoxy-1,3,4-thiadiazol-2(3H)-one. It is also related to or classified as organothiophosphate insecticide, organic thiophosphate.
The molecule <smiles>BrC#CCCCCCCCCC#CC#CCCCC(=O)OC</smiles> is 18-bromooctadeca-5,7,17-triynoic acid methyl ester. It is also related to or classified as fatty acid methyl ester .
The molecule <smiles>O=C(O)/C=C/C=C/[C@@H]1O[C@H](C(=C)[C@@]2([C@H]([C@H]1O)[C@@H]3[C@H](CC(C)=CC3)C=C2C)O)[C@H](CC)C</smiles> is Pyrenulic acid H. It is also related to or classified as medium-chain fatty acid .
The molecule <smiles>Cc1cc(C)cc(C)c1</smiles> is A trimethylbenzene carrying methyl substituents at positions 1, 3 and 5. It is also related to or classified as trimethylbenzene .
The molecule <smiles>[C@]123[C@]([C@]4([C@]([C@](CC4)([C@@H](CCC=C(C)C)C)[H])(C)CC1)C)(CC[C@@]5([C@@]2(CC[C@@H]([C@]5(C=O)C)O)C3)[H])[H]</smiles> is A 3beta-hydroxy-4alpha-formyl-4beta-methylsteroid that is 9beta-9,19-cyclolanost-24-ene-3beta,28-diol in which the hydroxy group at position 28 has been oxidised to the corresponding aldehyde. Its functional parent is 9beta-9,19-cyclolanost-24-ene-3beta,28-diol. It is also related to or classified as 3beta-hydroxy-4alpha-formyl-4beta-methylsteroid . It is also related to or classified as pentacyclic triterpenoid.
The molecule <smiles>[H][C@@]1(O[C@](O)([C@@H](O)[C@@H](O[C@@]2(C[C@@H](O)[C@@H](O)[C@]([H])(O2)[C@H](O)CO)C(O)=O)[C@H]1O)C(O)=O)[C@H](O)CO</smiles> is A disaccharide comprising a 3-deoxy-alpha-D-manno-oct-2-ulopyranonosonyl unit in (2->4) linkage with D-glycero-alpha-D-talo-oct-2-ulosonic acid; it is found in the core structure of bacterial lipopolysaccharides. It is also related to or classified as disaccharide .
The molecule <smiles>[H][C@@]1(O[C@H](OC[C@H]2O[C@H](O)[C@H](N)[C@@H](O)[C@@H]2O)[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O)[C@@H]1O)[C@H](O)CO</smiles> is A linear amino trisaccharide consisting of  N-acetyl-alpha-glucosamine, alpha-glycero-alpha-D-manno-heptose and alpha-glucosamine residues linked (1->2) and (1->6) respectively. It is also related to or classified as amino trisaccharide.
The molecule <smiles>S1C(=N[C@H](C1)[C@H]2SC[C@H]3N2C(=O)[C@H]4N(C)[C@@H]3SC4)C5=C(O)C=CC=C5</smiles> is Ulbactin F. Its functional parent is alpha-amino acid. It is also related to or classified as organonitrogen compound, organooxygen compound.
The molecule <smiles>[H]C(CC(C)CCCC(C)(C)OC)=C([H])C(C)=C([H])C(=O)OC(C)C</smiles> is isopropyl 11-methoxy-3,7,11-trimethyldodeca-2,4-dienoate. It is also related to or classified as isopropyl ester . It is also related to or classified as farnesane sesquiterpenoid.
The molecule <smiles>Oc1ccccc1\C=C\C(=O)C([O-])=O</smiles> is conjugate base of (3E)-4-(2-hydroxyphenyl)-2-oxobut-3-enoic acid. It is also related to or classified as 2-oxo monocarboxylic acid anion .
The molecule <smiles>O=C1C2=C(O)C=C(OC)C(=C2[C@H](O)[C@@H]3[C@@H]1CO[C@](C3)(OC)C)O</smiles> is 5-hydroxy-3-methoxydihydrofusarubin A. It is also related to or classified as organic heterotricyclic compound, organooxygen compound.
The molecule <smiles>[H][C@@]1(C[C@@H](O)[C@](C)(O)[C@@]2([H])CC[C@@]3(O)C4=CC(=O)[C@]5([H])C[C@@H](O)[C@@H](O)C[C@]5(C)[C@@]4([H])CC[C@]23C)[C@@H](C)OC(=O)[C@H]1C</smiles> is cyasterone.    It is also related to or classified as 3beta-hydroxy steroid . It is also related to or classified as phytoecdysteroid, steroid lactone, 21-hydroxy steroid, 20-hydroxy steroid, 2beta-hydroxy steroid, 14alpha-hydroxy steroid, 6-oxo steroid.
The molecule <smiles>[C@]123[C@]([C@]4([C@]([C@](CC4)([C@@H](CCC=C(C)C)C)[H])(C)CC1)C)(CC[C@@]5([C@@]2(CC[C@@H]([C@]5(CO)C)O)C3)[H])[H]</smiles> is A pentacyclic triterpenod that is 9beta,19-cyclolanost-24-ene which is substituted by hydroxy groups at the 3beta and 28 positions. It is also related to or classified as 3beta-hydroxy-4alpha-hydroxymethyl-4beta-methylsteroid . It is also related to or classified as pentacyclic triterpenoid, phytosterols.
The molecule <smiles>ClC(Cl)=CC#CCC[C@@H](C(=O)OC)[C@H](NC(=O)C)CCCC#C/C=C/Cl</smiles> is Taveuniamide E. Its functional parent is beta-amino acid. It is also related to or classified as organonitrogen compound, organooxygen compound.
The molecule <smiles>[H][C@](C)(O)[C@@]([H])(O)[C@]([H])(O)[C@]([H])(O)C=O</smiles> is the open-chain aldehyde form of D-rhamnose. It is also related to or classified as D-rhamnose.
The molecule <smiles>O=C1C2=C(N)C=CC=C2C3C=C(C)CN(C3C1)C</smiles> is (4aS),( 10bS)-7-amino-3,4,4a,5,6,10b-hexahydro-2,4-dimethyl-6-oxobenzo[f]quinoline. It is also related to or classified as organic heterotricyclic compound, organonitrogen heterocyclic compound.
The molecule <smiles>C1=CC(=CC=C1/C=C(\C)/C=C(\C)/C=C(\C)/C=C(\C)/CCC2=C(C(C(=C(O2)OC)C)=O)C)[N+]([O-])=O</smiles> is A member of the class of 4-pyranones that is 2-methoxy-3,5-dimethylpyran-4-one which is substituted at position 6 by a [(3E,5E,7E,9E)-3,5,7,9-tetramethyl-10-(4-nitrophenyl)deca-3,5,7,9-tetraen-1-yl] group. The immediate precursor of the Streptomyces spectabilis metabolite spectinabilin. It has the role of bacterial metabolite.  It is also related to or classified as ketene acetal . It is also related to or classified as polyketide . It is also related to or classified as 4-pyranones, C-nitro compound.
The molecule <smiles>COC(C)(C)CCCC(C)C\C=C\C(C)=C\C(=O)OC(C)C</smiles> is methoprene. It has the role of juvenile hormone mimic. It is also related to or classified as isopropyl 11-methoxy-3,7,11-trimethyldodeca-2,4-dienoate . It is also related to or classified as isopropyl ester .
The molecule <smiles>S1[C@@H]([C@](O)([C@@]2(O)[C@H](OC)C(=O)CC[C@@]2(C1)O)C)CC=C(C)C</smiles> is (3R)-4alpha,4aalpha,8abeta-Trihydroxy-5alpha-methoxy-4-methyl-3alpha-(3-methyl-2-butenyl)hexahydro-1H-2-benzothiopyran-6(5H)-one. It is also related to or classified as organosulfur heterocyclic compound, organic heteromonocyclic ring.
The molecule <smiles>C1=CC(=CC=C1/C=C(\C)/C=C(\C)/C=C(\C)/C=C\2/C[C@@](OC2)(C3=C(C(C(=C(O3)OC)C)=O)C)[H])[N+]([O-])=O</smiles> is A polyketide that is deoxyspectinabilin in which the tetramethyldeca-tetraen-1-yl chain attached to the 4-pyranone moiety has undergone oxidation at position 1 and at the methyl group at position 3 to afford the corresponding tetrahydrofuranyl moiety. Produced by Streptomyces spectabilis, it exhibits antiviral and antimalarial activity. It has the role of antiviral agent. It has the role of nematicide. It has the role of antiplasmodial drug. It has the role of bacterial metabolite. Its functional parent is deoxyspectinabilin.  It is also related to or classified as ketene acetal . It is also related to or classified as polyketide . It is also related to or classified as 4-pyranones, oxolanes, C-nitro compound.
The molecule <smiles>ClC1=C(O)C(=CC(=C1)O)CO</smiles> is Chlorogentisylalcohol. It is also related to or classified as organohalogen compound . It is also related to or classified as benzenediols.
The molecule <smiles>C1=CC(=CC=C1/C=C(/C=C(/CCC2=C(C(C(=C(O2)OC)C)=O)C)\C)\C)[N+]([O-])=O</smiles> is A 4-pyranone that is 2-methoxy-3,5-dimethyl-4H-pyran-4-one which is substituted at position 6 by a 2,4-dimethyl-1-(p-nitrophenyl)hexa-1,3-dien-6-yl group (the E,E isomer). It has the role of bacterial metabolite.  It is also related to or classified as ketene acetal . It is also related to or classified as polyketide . It is also related to or classified as 4-pyranones, C-nitro compound, olefinic compound.
The molecule <smiles>O=C(OCCC1=CC=C(O)C=C1)CC2=CC=CC=C2</smiles> is Monaspilosin. It is also related to or classified as alcohol . It is also related to or classified as phenols .
The molecule <smiles>CCCCCCCCC(O)C(O)CCCCCCCC([O-])=O</smiles> is A long-chain fatty acid anion that is the conjugate base of 9,10-dihydroxystearic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as long-chain fatty acid anion . It is also related to or classified as hydroxy fatty acid anion.
The molecule <smiles>ClC1=C(O)C(C=2OC3=C(OC)C(OC)=CC(=C3C(C2OC)=O)O)=CC(=C1)O</smiles> is Chlorflavonin A. It is also related to or classified as ether . It is also related to or classified as flavonoids.
The molecule <smiles>CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@H]1O[C@@H]1[C@@H](O)C(O)O[C@H](CO)[C@@H]1O</smiles> is an amino trisaccharide consisting of an N-acetyl-D-glucosamine flanked by two D-galactose residues in a linear sequence. Its functional parent is beta-D-GlcpNAc-(1->3)-D-Galp. It is also related to or classified as amino trisaccharide.
The molecule <smiles>O=C(O)/C=C/C=C/C=C/CCNC(=O)[C@H]([C@@H](O)CNC(=O)C/C=C(/C=C/C(O)CCCCCCCCC)\C)C</smiles> is Pseudotrienic acid A. Its functional parent is gamma-amino acid. It is also related to or classified as organonitrogen compound, organooxygen compound.
The molecule <smiles>C(CCCCCCC[C@H]([C@@H](CCCCCCCC)O)O)([O-])=O</smiles> is A 9,10-dihydroxystearate in which the chiral carbon atoms at positions 9 and 10 have the R-configuration. It is also related to or classified as 9,10-dihydroxystearate .
The molecule <smiles>OC(=O)C(=O)\C=C\c1ccccc1O</smiles> is A pyruvic acid derivative having a 2-hydroxybenzylidene group attached at the 3-position and E-stereochemistry. Its functional parent is pyruvic acid. It is a conjugate acid of (3E)-4-(2-hydroxyphenyl)-2-oxobut-3-enoate. It is also related to or classified as 2-oxo monocarboxylic acid .
The molecule <smiles>OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O</smiles> is an anthocyanin cation that is a cyanidin cation linked to a beta-D-glucosyl moiety at position 3. It has the role of metabolite. Its functional parent is cyanidin cation. It is a conjugate acid of cyanidin 3-O-beta-D-glucoside betaine. It is also related to or classified as beta-D-glucoside . It is also related to or classified as anthocyanin cation . It is also related to or classified as monosaccharide derivative.
The molecule <smiles>CC[C@@H](C)C[C@@H](C)/C=C(\\C)/C=C/C=C/C(=O)C1=C(C(=CN(C1=O)O)C2(CCC(CC2)O)O)O</smiles> is a pyridine alkaloid that is 1,4-dihydroxypyridin-2(1H)-one substituted by a cis-1,4-dihydroxycyclohexyl group at position 5 and a (2E,4E,6E,8R,10R)-6,8,10-trimethyldodeca-2,4,6-trienoyl moiety at position 3. It is isolated from the mycelium of the entomogenous fungus, Paecilomyces militaris and has been found to induce pronounced neurite sprouting. It has a role as a metabolite. It is a pyridone, an enone, a secondary alcohol, a tertiary alcohol, a dihydroxypyridine, a pyridine alkaloid and an aromatic ketone.
The molecule <smiles>C1=C(O[C@@H]([C@@H]([C@H]1O)O)O[C@@H]2[C@@H]([C@H](C(O[C@@H]2C(=O)[O-])O)O)O)C(=O)[O-]</smiles> is the dianion obtained by removal of a proton from both carboxyic acid groups of 4-(4-deoxy-alpha-D-gluc-4-enosyluronic acid)-D-galacturonic acid. It is a dicarboxylic acid dianion and a carbohydrate acid anion. It is a conjugate base of a 4-(4-deoxy-alpha-D-gluc-4-enosyluronic acid)-D-galacturonic acid.