mingxuzhang/ChEBI-Augmented huggingface dataset:
The molecule <smiles>[C@@]1([C@@]2([C@@]([C@@]3(CC[C@@]4(C[C@@]3([C@H]2C(=O)[O-])CC4=C)O)[H])(C(=O)[O-])CCC1)[H])(C)C(=O)[O-]</smiles> is A tricarboxylic acid trianion obtained by deprotonation of the three carboxy groups of gibberellin A17. It is also related to or classified as tricarboxylic acid trianion, gibberellin carboxylic acid anion.
The molecule <smiles>COC1=CC2=C(C=C1)N3[C@@H]4[C@]25CCN6[C@H]5C[C@@H]7[C@H]4[C@H](CC3=O)OCC=C7C6</smiles> is a monoterpenoid indole alkaloid that is strychnine in which the hydrogen at position 2 has been replaced by a methoxy group. It is a minor alkaloid from Strychnos nux-vomica. It has a role as a plant metabolite. It is a monoterpenoid indole alkaloid, an organic heteroheptacyclic compound and an aromatic ether. It derives from a strychnine.
The molecule <smiles>[H]C(=CC([H])=Cc1cc[n+](CCC[N+](CC)(CC)CC)cc1)C=C([H])c1ccc(cc1)N(CCCC)CCCC</smiles> is A pyridinium cation with a 3-(triethylammonio)propyl substituent at the 1-position and a 6-[4-(dibutylamino)phenyl]hexa-1,3,5-trien-1-yl substituent at the 4-position. It has the role of fluorochrome. It is also related to or classified as tertiary amine . It is also related to or classified as quaternary ammonium ion . It is also related to or classified as pyridinium ion.
The molecule <smiles>O=C1OC(=O)CC(=C1CCCCCCCCCCCCCCCCC=2C(=O)OC(C2C)=O)C(=O)O</smiles> is Skeletocutin B. Its functional parent is hexacarboxylic acid. It is also related to or classified as organooxygen compound.
The molecule <smiles>C(=C/C=C/CCCCC)\C=C\C(=C\1/C(C(NC1=O)CO)=O)\O</smiles> is A member of the class of pyrrolidin-2-ones with formula  C17H23NO4, originally isolated from Aspergillus niger. It has the role of marine metabolite. It has the role of Aspergillus metabolite. It is also related to or classified as primary alcohol . It is also related to or classified as enol . It is also related to or classified as pyrrolidin-2-ones .
The molecule <smiles>C[C@H]1C[C@H]2[C@H](C2(C)C)C=C1</smiles> is a monoterpene that is bicyclo[4.1.0]hept-2-ene substituted by methyl groups at positions 4, 7 and 7 respectively (the 1R,4S,6S-stereoisomer). It has a role as a metabolite. It derives from a hydride of a carane.
The molecule <smiles>CC(C#N)C(=O)C</smiles> is a methyl ketone that is butan-2-one substituted by a cyano group at position 3. It has a role as a metabolite. It is a methyl ketone and a nitrile. It derives from a butan-2-one.
The molecule <smiles>OC[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)C(O)=O</smiles> is the D-enantiomer of altronic acid. It has the role of Escherichia coli metabolite. It is a conjugate acid of D-altronate. It is also related to or classified as altronic acid.
The molecule <smiles>OC(=O)\C=C/C(=C\C(O)=O)C(O)=O</smiles> is the 3-carboxy derivative of cis,cis-muconic acid. It is a conjugate acid of 3-carboxy-cis,cis-muconate(3-). It is also related to or classified as tricarboxylic acid.
The molecule <smiles>CCC1=CC=CC(=C1NC(=O)CCl)C</smiles> is an aromatic amide obtained by formal condensation of the carboxy group of chloroacetic acid with the amnio group of 2-ethyl-6-methylaniline. It is an aromatic amide and an organochlorine compound. It derives from a chloroacetic acid.
The molecule <smiles>Oc1ccc(CC2[NH2+]CCc3cc(O)c(O)cc23)cc1</smiles> is conjugate acid of (RS)-norcoclaurine. It is a conjugate acid of (RS)-norcoclaurine. It is also related to or classified as ammonium ion derivative.
The molecule <smiles>[H][C@@]12CC[C@@H]3C[C@]1(CC3=C)[C@@H](C(O)=O)[C@]1([H])[C@@](C)(CCC[C@@]21C=O)C(O)=O</smiles> is A C20-gibberellin that consists of a tetracyclic skeleton bearing two carboxy and a formyl group. It has the role of plant metabolite. It is a conjugate acid of gibberellin A24(2-). It is also related to or classified as aldehyde . It is also related to or classified as C20-gibberellin, dicarboxylic acid.
The molecule <smiles>CC(C)c1ccc2oc3nc(N)c(cc3c(=O)c2c1)C(O)=O</smiles> is A pyridochromene-derived monocarboxylic acid having an amino substituent at the 2-position, an oxo substituent at the 5-position and an isopropyl substituent at the 7-position. It has the role of non-steroidal anti-inflammatory drug. It has the role of anti-ulcer drug. It has the role of anti-allergic agent. It is also related to or classified as monocarboxylic acid, pyridochromene.
The molecule <smiles>[H]C(C(C)(O)C)=O</smiles> is A hydroxyaldehyde that is isobutyraldehyde carrying a single hydroxy substituent at position 2. It has the role of bacterial xenobiotic metabolite. Its functional parent is isobutyraldehyde.  It is also related to or classified as tertiary alcohol . It is also related to or classified as hydroxyaldehyde . It is also related to or classified as propanals.
The molecule <smiles>[C@@]1(O[C@]([C@@H]([C@H](C1)O)NC(C)=O)([C@@H]([C@@H](CO)O)O)[H])(C(O)=O)O[C@H]2[C@H]([C@H](OC(O)[C@@H]2O)CO)O[C@H]3[C@@H]([C@H]([C@@H](O)[C@H](O3)CO)O)NC(=O)C</smiles> is an amino trisaccharide consisting of N-acetyl-beta-D-galactosaminyl and 5-acetyl-alpha-neuraminyl residues linked respectively (1->4) and (2->3) to D-galactose. It has the role of epitope. It is also related to or classified as amino trisaccharide.
The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC)COP(=O)(O)O</smiles> is a 1,2-diacyl-sn-glycerol 3-phosphate (sn-phosphatidic acid) in which the acyl groups at positions 1 and 2 are specified as decanoyl and stearoyl respectively. It is a phosphatidic acid, a decanoate ester, an octadecanoate ester and a 1,2-diacyl-sn-glycerol 3-phosphate.
The molecule <smiles>COc1nc(N)nc2nc[nH]c12</smiles> is A methylguanine in which the methyl group is positioned on the oxygen at position 6. Formed in DNA by alkylation of the oxygen atom of guanine, most often by N-nitroso compounds and sometimes due to methylation by other compounds such as endogenous S-adenosylmethionine, it base-pairs to thymine rather than cytidine, causing a G:C to A:T transition in DNA. It has the role of mutagen. It is also related to or classified as methylguanine.
The molecule <smiles>[NH3+][C@H]([C@@H](O)C([O-])=O)C([O-])=O</smiles> is A D-alpha-amino acid anion which is obtained from (3R)-3-hydroxy-D-aspartic acid by formal deprotonation of both carboxyl groups and protonation of the amino group.  It is also related to or classified as D-alpha-amino acid anion . It is also related to or classified as dicarboxylic acid anion.
The molecule <smiles>CCCCCCCC/C=C\\C=C\\CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O</smiles> is an unsaturated fatty acyl-CoA resulting from the formal condensation of the thiol group of coenzyme A with the carboxy group of (3E,5Z)-tetradecadienoic acid. It is an unsaturated fatty acyl-CoA, a long-chain fatty acyl-CoA and an 11,12-saturated fatty acyl-CoA. It derives from a (3E,5Z)-tetradecadienoic acid. It is a conjugate acid of a (3E,5Z)-tetradecadienoyl-CoA(4-).
The molecule <smiles>CC1=NCCC2=C1NC3=C2C=CC(=C3)O</smiles> is a harmala alkaloid in which the harman skeleton is hydroxy-substituted at C-7 and has been reduced across the 3,4 bond. It has a role as an EC 1.4.3.4 (monoamine oxidase) inhibitor and an algal metabolite. It derives from a hydride of a harman.
The molecule <smiles>CC1(C)C2CC1C(=C)C(=O)C2</smiles> is A bridged compound resulting from rearrangement of carvone. It has the role of mouse metabolite. It is also related to or classified as carvones, bridged compound.
The molecule <smiles>CC(=CCC/C(=C/CC/C(=C/CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\COP(=O)([O-])OP(=O)([O-])O[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)NC(=O)C)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)C</smiles> is an organophosphate oxoanion resulting from the removal of two protons from the diphosphate group of N-acetyl-alpha-D-galactosaminyl-1-diphospho-ditrans,polycis-undecaprenol. It is a conjugate base of a N-acetyl-alpha-D-galactosaminyl-1-diphospho-ditrans,polycis-undecaprenol.
The molecule <smiles>C[C@@]1(CO)OP([O-])(=O)OP([O-])(=O)OC[C@H]1O</smiles> is dianion of 2-C-methyl-D-erythritol 2,4-cyclic diphosphate. It is also related to or classified as organophosphate oxoanion.
The molecule <smiles>OCC(=O)[C@H](O)[C@H](O)COP([O-])([O-])=O</smiles> is an organophosphate oxoanion that is the dianion resulting from the removal of two protons from the phosphate group of D-ribulose 5-phosphate. It has the role of human metabolite. It has the role of fundamental metabolite. It is also related to or classified as organophosphate oxoanion.
The molecule <smiles>[C@@]1([C@@]2([C@@]([C@@]3(CC[C@@H]4C[C@@]3([C@H]2C(=O)[O-])CC4=C)[H])(C=O)CCC1)[H])(C)C(=O)[O-]</smiles> is A dicarboxylic acid anion obtained by deprotonation of both carboxy groups of gibberellin A24. It is also related to or classified as dicarboxylic acid dianion . It is also related to or classified as gibberellin carboxylic acid anion.
The molecule <smiles>O=C1OC(=O)CC(=C1CCCCCCCCCCCCCCC=2C(=O)OC(C2C)=O)C(=O)O</smiles> is Skeletocutin A. Its functional parent is hexacarboxylic acid. It is also related to or classified as organooxygen compound.
The molecule <smiles>C(C([C@@H](C(=O)O)N)O)C(=O)O</smiles> is an amino dicarboxylic acid that is L-glutamic acid substituted by a hydroxy group at position 3. It is a secondary alcohol, a non-proteinogenic L-alpha-amino acid, an amino dicarboxylic acid and a hydroxy-L-glutamic acid. It is a conjugate acid of a 3-hydroxy-L-glutamate(1-).
The molecule <smiles>CC1=C(CCC(O)=O)C2=[N+]3C1=Cc1c(C)c(C=C)c4C=C5C(C)=C(C=C)C6=[N+]5[Mg--]3(n14)n1c(=C6)c(C)c(CCC(O)=O)c1=C2</smiles> is magnesium protoporphyrin. It is a conjugate acid of magnesium protoporphyrin(2-). It is also related to or classified as magnesium porphyrin, metalloprotoporphyrin.
The molecule <smiles>C1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CN3</smiles> is a 1,4-benzodiazepinone that is nordazepam in which the phenyl substituent has been replaced by a 1H-pyrrol-2-yl group. It inhibits gene expression in HIV-1 at the transcriptional level through interference with Tat-mediated transactivation. It has a role as an antineoplastic agent, an anti-HIV-1 agent, a RUNX1 inhibitor and a HIV-1 Tat inhibitor. It is a 1,4-benzodiazepinone, an organochlorine compound and a member of pyrroles.
The molecule <smiles>CC1=C(C(=O)C(=C(C1=O)OC)OC)C/C=C(\\C)/CC/C=C(\\C)/CC/C=C(\\C)/CC/C=C(\\C)/CC/C=C(\\C)/CCC=C(C)C</smiles> is a ubiquinone compound having a (2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl substituent at position 2. It has a role as a Saccharomyces cerevisiae metabolite.
The molecule <smiles>[Mo+6]</smiles> is molybdenum(6+). It is also related to or classified as monoatomic hexacation . It is also related to or classified as molybdenum cation.
The molecule <smiles>CN(Cc1ccc(Cl)nc1)C(C)=NC#N</smiles> is A carboxamidine that is acetamidine in which the amino hydrogens are substituted by a (6-chloropyridin-3-yl)methyl and a methyl group while the hydrogen attached to the imino nitrogen is replaced by a cyano group. It has the role of neonicotinoid insectide. It has the role of xenobiotic. It has the role of environmental contaminant. Its functional parent is 2-chloropyridine. It is also related to or classified as nitrile . It is also related to or classified as carboxamidine . It is also related to or classified as monochloropyridine .
The molecule <smiles>CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCc1ccc(O)c(O)c1</smiles> is Arachidonoyl dopamine. Its functional parent is arachidonic acid. Its functional parent is dopamine. It is also related to or classified as secondary carboxamide . It is also related to or classified as N-(fatty acyl)-dopamine . It is also related to or classified as catechols . It is also related to or classified as fatty amide.
The molecule <smiles>[H][C@]1([C@@H](C)Nc2ccc(C[C@H](O)[C@H](O)[C@H](O)CO[C@H]3O[C@H](COP([O-])(=O)O[C@@H](CCC([O-])=O)C([O-])=O)[C@@H](O)[C@H]3O)cc2)[C@H](C)Nc2nc(N)[nH]c(=O)c2N1C</smiles> is trianion of 5-methyl-5,6,7,8-tetrahydromethanopterin arising from deprotonation of carboxy and phosphate OH groups; major species at pH 7.3. It is also related to or classified as dicarboxylic acid dianion . It is also related to or classified as organophosphate oxoanion.
The molecule <smiles>[H][C@]12OC(=O)c3cc4OCOc4cc3[C@@]1([H])[C@]1([H])N(C)CCC1=C[C@@H]2O</smiles> is an indole alkaloid isolated from the Amaryllidaceae family and has been shown to exhibit cytotoxic activity. It has the role of metabolite. It has the role of antineoplastic agent. It is also related to or classified as delta-lactone . It is also related to or classified as secondary alcohol . It is also related to or classified as organic heteropentacyclic compound, indole alkaloid.
The molecule <smiles>[H]C(CNC(=O)C1CC1)=C(C)CCC=C(C)C</smiles> is A cyclopropylcarboxamide resulting from the formal condensation of the carboxy group of cyclopropanecarboxylic acid with the amino group of 3,7-dimethylocta-2,6-dien-1-amine. It has the role of flavouring agent. It is also related to or classified as secondary carboxamide . It is also related to or classified as cyclopropylcarboxamide . It is also related to or classified as olefinic compound.
The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCC</smiles> is a palmitate ester resulting from the formal condensation of palmitic acid with dodecan-1-ol. It is A wax ester synthesised by retinal pigment epithelial membranes. It has a role as a metabolite. It is a wax ester and a hexadecanoate ester. It derives from a dodecan-1-ol.
The molecule <smiles>[H][C@]12SCC(CSc3nnnn3CCN(C)C)=C(N1C(=O)[C@@]2([H])NC(=O)Cc1csc(N)n1)C(O)=O</smiles> is A cephalosporin with ({1-[2-(dimethylamino)ethyl]-1H-tetrazol-5-yl}sulfanyl)methyl and (2-amino-1,3-thiazol-4-yl)acetamido substituents at positions 3 and 7, respectively, of the cephem skeleton. A third generation beta-lactam cephalosporin antibiotic, it is active against a broad spectrum of both Gram positive and Gram negative bacteria. It has the role of antibacterial drug. It is also related to or classified as cephalosporin . It is also related to or classified as semisynthetic derivative, beta-lactam antibiotic allergen.
The molecule <smiles>O=C(NC1=C2N=C(C=CC2=CC=C1)C)C3=CC=C(OC(C)C)C=C3</smiles> is A secondary carboxamide resulting from the formal condensation of the carboxy group of 4-isopropoxybenzoic acid with the primary amino group of 2-methylquinolin-8-amine. An allosteric activator of sarco/endoplasmic reticulum Ca(2+)-ATPase (SERCA). It has the role of SERCA activator. It is also related to or classified as secondary carboxamide . It is also related to or classified as quinolines, aromatic ether.
The molecule <smiles>[H][C@@]12CC[C@@H]3C[C@]1(CC3=C)[C@@H](C(O)=O)[C@]1([H])[C@@](C)(CCC[C@@]21CO)C(O)=O</smiles> is gibberellin A15 (diacid form). It is a conjugate acid of gibberellin A15(2-) (diacid form). It is also related to or classified as C20-gibberellin, dicarboxylic acid.
The molecule <smiles>[O-]C(C(CC([C@H](C)O)=O)=O)=O</smiles> is A  carbohydrate acid anion that is the conjugate base of 2,4-didehydro-3-deoxy-L-rhamnonic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as carbohydrate acid anion.
The molecule <smiles>C[C@@H]/1C[C@@H]2[C@@H]([C@@H]([C@H]([C@](C(=O)/C=C1)(C)O)O)OC(=O)CC(C)C)C(=C)C(=O)O2</smiles> is a germacranolide isolated from Neurolaena lobata and Austroeupatorium inulifolium and has been shown to exhibit antimalarial activity. It has a role as a metabolite and an antimalarial. It is an enone, a fatty acid ester, a germacranolide and a tertiary alpha-hydroxy ketone. It derives from an isovaleric acid.
The molecule <smiles>O=C1OC(=O)C(=C1CCCCCCCCCCCCCCCC/C=C(\C(=O)OC)/CC(=O)O)C</smiles> is Skeletocutin L. Its functional parent is tetracarboxylic acid. It is also related to or classified as organooxygen compound.
The molecule <smiles>C1(C(=C(OC2=C1C(N[C@@H]2O)=O)/C=C/C)O)=O</smiles> is A member of the class of pyranopyrroles that is 2-[(1E)-prop-1-en-1-yl]-6,7-dihydropyrano[2,3-c]pyrrole-4,5-dione carrying two additional hydroxy substituents at positions 3 and 7. Originally isolated from Aspergillus niger. It has the role of antioxidant. It has the role of marine metabolite. It has the role of Aspergillus metabolite.  It is also related to or classified as enol . It is also related to or classified as secondary alcohol . It is also related to or classified as pyranopyrrole, cyclic ketone, gamma-lactam.
The molecule <smiles>C[C@@H]1C[C@H]2[C@@H](C[C@H]3[C@H](O2)[C@H]([C@@H]([C@H]4[C@H](O3)[C@H]([C@@H]([C@]5(O4)CCCO5)C)C)O)C)O[C@H]6C[C@@H]7[C@]([C@@H](C[C@@H]8[C@@H](O7)C/C=C\\C[C@@H]9[C@@H](O8)/C=C\\C[C@@H]2[C@@H](O9)C=C[C@@H]3[C@@H](O2)C[C@@H]2[C@@H](O3)[C@@H]([C@@H]3[C@@H](O2)CC=CCO3)O)O)(O[C@@H]6C1)C</smiles> is a ciguatoxin comprising a sequence of twelve trans-fused six-, seven-, eight- and nine-membered oxacycles and a spiro-fused tetrahydrofuran. It has a role as a metabolite.
The molecule <smiles>C[C@H](COC1=CC=CC=C1CC2=CC=CC=C2)[NH+]3CCCCC3</smiles> is an ammonium ion resulting from the protonation of the nitrogen of (R)-benproperine. It is a conjugate acid of a (R)-benproperine. It is an enantiomer of a (S)-benproperine(1+).
The molecule <smiles>OC[C@H]1O[C@H](OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](O)C(=O)[C@@H]1O</smiles> is A nucleotide-sugar oxoanion resulting from the removal of two protons from the diphosphate group of UDP-3-keto-alpha-D-glucose. It is also related to or classified as nucleotide-sugar oxoanion.
The molecule <smiles>CCCN(C)C[C@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)CCCN(C)C)O[C@@H](CCCCO1)C)[C@H](C)CO)C</smiles> is 4-(dimethylamino)-N-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide. It is also related to or classified as lactam . It is also related to or classified as azamacrocycle.
The molecule <smiles>C([C@@H]1[C@H]([C@@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H](O2)OC[C@@H]3[C@H]([C@@H]([C@H](O3)O)O)O)O)O)O[C@H]4[C@H]([C@@H]([C@H](O4)COP(=O)(O)OC5[C@H]([C@H](C([C@H]([C@@H]5O)O)O)O)O)O)O)O)O</smiles> is a tetrasaccharide derivative composed of four arabinofuranose residues in a beta(1->2), alpha(1->5) and alpha(1->5) linear sequence (with alpha-configuration at the reducing end), to the arabinofuranose residue at the non-reducing end is linked (3P->5) a 1D-myo-inositol 5-phosphate moiety. It derives from a myo-inositol.
The molecule <smiles>FC(F)(F)C(F)(F)F</smiles> is hexafluoroethane. It has the role of refrigerant. It is also related to or classified as fluoroalkane . It is also related to or classified as fluorocarbon .
The molecule <smiles>N[C@H]1[C@H](O)[C@@H](CO)O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@@H]1O</smiles> is A UDP-amino sugar having alpha-D-kanosamine as the amino sugar component. Its functional parent is alpha-D-kanosamine. It is a conjugate acid of UDP-alpha-D-kanosamine(1-). It is also related to or classified as UDP-amino sugar.
The molecule <smiles>[Ca+]</smiles> is calcium(1+). It is also related to or classified as monoatomic monocation . It is also related to or classified as calcium cation.
The molecule <smiles>O[C@@H]1[C@H](Oc2cc(O)cc(O)c2C1=O)c1ccccc1</smiles> is A trihydroxyflavanone in which the three hydroxy substituents are located at positions 3, 5 and 7. It has the role of antioxidant. It has the role of metabolite. It has the role of antimutagen. It is also related to or classified as secondary alpha-hydroxy ketone . It is also related to or classified as trihydroxyflavanone.
The molecule <smiles>[C@@]1([C@@]2([C@@]([C@@]3(CC[C@@H]4C[C@@]3([C@H]2C(=O)[O-])CC4=C)[H])(CO)CCC1)[H])(C)C(=O)[O-]</smiles> is A dicarboxylic acid anion obtained by deprotonation of both carboxy groups of gibberellin A15 (diacid form). It is also related to or classified as dicarboxylic acid dianion . It is also related to or classified as gibberellin carboxylic acid anion.
The molecule <smiles>S1SS[C@]23N([C@@H]4[C@@H](OC(=O)CC5=CC=CC=C5)C=CC=C4C2)C([C@@]6(S1)N([C@@H]7[C@@H](OC(=O)[C@H](O)C8=CC=CC=C8)C=COC=C7C6)C3=O)=O</smiles> is Emethallicin B. Its functional parent is alpha-amino acid. It is also related to or classified as organonitrogen compound, organooxygen compound.
The molecule <smiles>CCS(=O)CCSP(=O)(OC)OC</smiles> is an organic thiophosphate and an organothiophosphate insecticide. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor, an acaricide and an agrochemical. It derives from a 2-(ethanesulfinyl)ethanol.
The molecule <smiles>C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O)O</smiles> is a glycosyloxyflavone that is apigenin substituted by a 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside group at position 7. It has a role as a plant metabolite. It is a dihydroxyflavone, a disaccharide derivative, a glycosyloxyflavone and a gentiobioside. It derives from an apigenin.
The molecule <smiles>CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=NN2C)C)C(=O)C3=C(C=C(C=C3)Cl)Cl</smiles> is a member of the class of pyrazoles that is 1,3-dimethylpyrazole which is substituted at positions 4 and 5 by 2,4-dichlorobenzoyl and p-tosyloxy groups, respectively. It is an obsolete proherbicide (via hydrolysis of the tosylate group to afford the corresponding 5-hydroxypyrazole), that was used to control weeds in rice paddy fields. It has a role as a proherbicide, an EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor, an agrochemical and a carotenoid biosynthesis inhibitor. It is a member of pyrazoles, a tosylate ester, an aromatic ketone and a dichlorobenzene.
The molecule <smiles>CC(COC(C)=O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]12C</smiles> is A hopanoid that is hopane substituted by an acetoxy group at position 29. It has the role of plant metabolite.  It is also related to or classified as acetate ester . It is also related to or classified as hopanoid . It is also related to or classified as pentacyclic triterpenoid.
The molecule <smiles>CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\Cc1cc(O)c(C)c(C)c1O</smiles> is A plastoquinol in which an all-E nonaprenyl group is attached to position 5 of 2,3-dimethylhydroquinone. It is also related to or classified as plastoquinol.
The molecule <smiles>CCCCCCC(=O)C([O-])=O</smiles> is A 2-oxo monocarboxylic acid anion that is the conjugate base of 2-oxooctanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. Its functional parent is octanoate. It is also related to or classified as 2-oxo monocarboxylic acid anion .
The molecule <smiles>CC/C=C\\C/C=C\\C[C@@H](C(/C=C/C=C/C=C\\CCCCCC(=O)[O-])O)O</smiles> is a docosanoid anion that is the conjugate base of 13,14(S)-dihydroxy-(7Z,9E,11E,16Z,19Z)-docosapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a docosanoid anion, a long-chain fatty acid anion and a hydroxy polyunsaturated fatty acid anion. It is a conjugate base of a 13,14(S)-dihydroxy-(7Z,9E,11E,16Z,19Z)-docosapentaenoic acid.
The molecule <smiles>O=C1C2=C(O)C=3C(O)=CC(=O)C(C3C=C2C(=O)C4=C1C5=C(C(=O)OC5)C(=C4)O)=O</smiles> is Paramagnetoquinone C. It is also related to or classified as quinone . It is also related to or classified as tetracenes.
The molecule <smiles>[H]C(=O)N1CCNCC1</smiles> is A member of the class of piperazine-1-carbaldehydes that is piperazine substituted by a formyl group at position 1. It is also related to or classified as piperazine-1-carbaldehydes.
The molecule <smiles>[H][C@@]12CC[C@]3(O)C[C@]1(CC3=C)[C@@H](C(O)=O)[C@]1([H])[C@@](C)(CCC[C@@]21CO)C(O)=O</smiles> is gibberellin A44 diacid. It is a conjugate acid of gibberellin A44 (2-) (diacid form). It is also related to or classified as C20-gibberellin, dicarboxylic acid.