mingxuzhang/ChEBI-Augmented huggingface dataset:
The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC</smiles> is A 1,2-diacyl-sn-glycerol where oleoyl and arachidonoyl are the 1- and 2-acyl groups respectively. It has the role of mouse metabolite. Its functional parent is arachidonic acid. Its functional parent is oleic acid. It is also related to or classified as 1,2-diacyl-sn-glycerol .
The molecule <smiles>N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O</smiles> is an oligopeptide comprising nine D-glutamic acid residues linked by peptidic bonds between the amino and gamma-carboxy groups. Its functional parent is D-glutamic acid. It is also related to or classified as oligopeptide .
The molecule <smiles>CCCCCCCCCC(=O)OC(CO)CO</smiles> is A 2-monoglyceride where the acyl group is decanoyl (caprinoyl). It is also related to or classified as 2-monoglyceride . It is also related to or classified as monodecanoylglycerol .
The molecule <smiles>COc1cc(\C=C\C(=O)OC[C@H]2OC(Oc3cc(O)c4c(c3)oc(cc4=O)-c3cc(OC)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)[C@H](O)[C@@H](O)[C@@H]2O)cc(OC)c1O</smiles> is A glycosyloxyflavone that is tricin substituted at positions 4 and 7 by beta-glucosyl 6-O-sinapoylglucosyl residues respectively. It has the role of metabolite. Its functional parent is trans-sinapic acid. Its functional parent is 3',5'-di-O-methyltricetin. It is also related to or classified as beta-D-glucoside .    It is also related to or classified as glycosyloxyflavone . It is also related to or classified as dimethoxyflavone, cinnamate ester, monohydroxyflavone.
The molecule <smiles>CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> is A  1,2-diacyl-sn-glycerol that has myristoyl and oleoyl as 1- and 2-acyl groups respectively. It has the role of mouse metabolite. It is also related to or classified as 1,2-diacyl-sn-glycerol . It is also related to or classified as 1-myristoyl-2-oleoylglycerol . It is also related to or classified as tetradecanoate ester .
The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC</smiles> is A 1,2-diacyl-sn-glycerol where octanoyl and oleoyl form the 1- and 2-acyl groups respectively. Its functional parent is oleic acid. It is also related to or classified as 1,2-diacyl-sn-glycerol . It is also related to or classified as 1-octanoyl-2-oleoylglycerol . It is also related to or classified as octanoate ester .
The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> is A 1,2-diacyl-sn-glycerol that has stearoyl and oleoyl as the 1- and 2-acyl groups respectively. It has the role of mouse metabolite. It is also related to or classified as 1,2-diacyl-sn-glycerol . It is also related to or classified as 1-stearoyl-2-oleoylglycerol . It is also related to or classified as diacylglycerol 36:1 .
The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)OC(CO)CO</smiles> is A 2-monoglyceride where the acyl group is octadecanoyl (stearoyl). Its functional parent is octadecanoic acid. It is also related to or classified as 2-acylglycerol 18:0 .
The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC</smiles> is A  1,2-diacyl-sn-glycerol where arachidonoyl and oleoyl form the 1- and 2-acyl groups respectively. It is also related to or classified as 1,2-diacyl-sn-glycerol . It is also related to or classified as 1-arachidonoyl-2-oleoylglycerol .
The molecule <smiles>CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> is A  1,2-diacyl-sn-glycerol where icosanoyl and oleoyl are the 1- and 2-acyl groups respectively. Its functional parent is oleic acid. Its functional parent is icosanoic acid. It is also related to or classified as 1,2-diacyl-sn-glycerol . It is also related to or classified as 1-icosanoyl-2-oleoylglycerol .
The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC</smiles> is A 1,2-diacyl-sn-glycerol where oleoyl and linoleoyl are the 1- and 2-acyl groups respectively. It has the role of mouse metabolite. Its functional parent is oleic acid. Its functional parent is linoleic acid. It is also related to or classified as 1,2-diacyl-sn-glycerol .
The molecule <smiles>CCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> is A 1,2-diacyl-sn-glycerol that has lauroyl and oleoyl as 1- and 2-acyl groups respectively. It is also related to or classified as 1,2-diacyl-sn-glycerol . It is also related to or classified as 1-lauroyl-2-oleoylglycerol . It is also related to or classified as dodecanoate ester .
The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC\C=C/C\C=C/CCCCC</smiles> is A 1,2-diacyl-sn-glycerol where linoleoyl and oleoyl form the 1- and 2-acyl groups respectively. It is also related to or classified as 1,2-diacyl-sn-glycerol . It is also related to or classified as 1-linoleoyl-2-oleoylglycerol .
The molecule <smiles>[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC</smiles> is A 1,2-diacyl-sn-glycerol in which the 1- and 2-acyl groups are specified as oleoyl and alpha-linolenoyl respectively. It has the role of mouse metabolite. Its functional parent is oleic acid. Its functional parent is alpha-linolenic acid. It is also related to or classified as 1,2-diacyl-sn-glycerol .
The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> is A 1,2-diacyl-sn-glycerol with palmitoyl as the 1-acyl group and oleoyl as the 2-acyl group. It has the role of mouse metabolite. It is also related to or classified as 1,2-diacyl-sn-glycerol . It is also related to or classified as 1-palmitoyl-2-oleoylglycerol .
The molecule <smiles>N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O</smiles> is an oligopeptide comprising ten D-glutamic acid residues linked by peptidic bonds between the amino and gamma-carboxy groups. Its functional parent is D-glutamic acid. It is also related to or classified as oligopeptide .
The molecule <smiles>OS(=O)(=O)Oc1c[nH]c2ccc(Br)c(Cl)c12</smiles> is an aryl sulfate that is indoxyl sulfate in which the indole moiety is substituted at positions 4 and 5 by chlorine and bromine, respectively. Its functional parent is indoxyl.  It is also related to or classified as organochlorine compound . It is also related to or classified as organobromine compound . It is also related to or classified as indoles, aryl sulfate.
The molecule <smiles>O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C/c2ccc(O)c(O)c2)[C@@H]1O)C(O)=O</smiles> is A cinnamate ester obtained by formal condensation of the carboxy group of cis-caffeic acid with the 5-hydroxy group of (+)-quinic acid. It has the role of metabolite. Its functional parent is cis-caffeic acid. Its functional parent is (+)-quinic acid. It is also related to or classified as cinnamate ester, cyclitol carboxylic acid.
The molecule <smiles>CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@H](C)O)[C@H](C)O)C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O</smiles> is A 39-membered polypeptide consisting of His, Ser, Asp, Gly, Thr, Phe, Thr, Ser, Asp, Leu, Ser, Lys, Gln, Met, Glu, Glu, Glu, Ala, Val, Arg, Leu, Phe, Ile, Glu, Trp, Leu, Lys, Asn, Gly, Gly, Pro, Ser, Ser, Gly, Ala, Pro, Pro, Pro and Ser-NH2 residues joined in sequence. It is isolated from venom of the Gila monster lizard Heloderma horridum. It has the role of metabolite. It has the role of glucagon-like peptide-1 receptor agonist. It is also related to or classified as polypeptide .
The molecule <smiles>NC(CO)C(=O)NO</smiles> is A hydroxamic acid obtained by formal condensation of the carboxy group of serine with the amino group of hydroxylamine. It has the role of EC 6.1.1.11 (serine--tRNA ligase) inhibitor. It is also related to or classified as hydroxamic acid, serine derivative.
The molecule <smiles>CCCCCCCC\C=C\CCCCCCCCOP([O-])(=O)OCC[N+](C)(C)C</smiles> is A phosphocholine that is the mono-1-elaidyl ester of phosphocholine. It has the role of antineoplastic agent. It is also related to or classified as phosphocholines.
The molecule <smiles>N1(C=CN=C1[N+]([O-])=O)CC(NCCO)=O</smiles> is A monocarboxylic acid amide obtained by formal condensation of the carboxy group of (2-nitro-1H-imidazol-1-yl)acetic acid with the amino group of ethanolamine. Used as a radiosensitising agent for hypoxic tumour cells. It has the role of radiosensitizing agent. It has the role of alkylating agent. It has the role of antineoplastic agent. It has the role of prodrug. Its functional parent is ethanolamine.  It is also related to or classified as monocarboxylic acid amide . It is also related to or classified as imidazoles, C-nitro compound.
The molecule <smiles>O[C@@H]1C[C@](O)(C[C@@H](OC(=O)C=Cc2ccc(O)cc2)[C@@H]1O)C(O)=O</smiles> is A cinnamate ester obtained by formal condensation of the carboxy group of 4-coumaric acid with the 5-hydroxy group of (-)-quinic acid. It has the role of metabolite. Its functional parent is (-)-quinic acid. Its functional parent is 4-coumaric acid. It is also related to or classified as cinnamate ester, cyclitol carboxylic acid.
The molecule <smiles>CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\C(C)=C\COP([O-])([O-])=O</smiles> is an organophosphate oxoanion obtained by deprotonation of the diphosphate OH groups of phytyl phosphate. It is also related to or classified as organophosphate oxoanion.
The molecule <smiles>[H]C(=Cc1ccc(O)cc1)C(=O)O[C@@H]1C[C@](O)(C[C@@H](O)[C@@H]1O)C(O)=O</smiles> is A cinnamate ester obtained by formal condensation of the carboxy group of 4-coumaric acid with the 3-hydroxy group of quinic acid. It has the role of metabolite. Its functional parent is (-)-quinic acid. Its functional parent is 4-coumaric acid. It is also related to or classified as cinnamate ester, cyclitol carboxylic acid.
The molecule <smiles>CCCCCCCC(=O)Oc1c[nH]c2ccc(Br)c(Cl)c12</smiles> is A carboxylic ester obtained by formal condensation of the carboxy group of octanoic (caprylic) acid with the hydroxy group of 5-bromo-4-chloroindoxyl. Its functional parent is indoxyl.   It is also related to or classified as octanoate ester . It is also related to or classified as chloroindole, bromoindole.
The molecule <smiles>COc1cc(cc(OC)c1O)\C=C\C(=O)O[C@@H]1C[C@@](O)(C[C@@H](O)[C@H]1O)C(O)=O</smiles> is A cinnamate ester obtained by formal condensation of the carboxy group of sinapic acid with the 5-hydroxy group of (-)-quinic acid. It has the role of metabolite. Its functional parent is trans-sinapic acid. Its functional parent is (-)-quinic acid. It is also related to or classified as cinnamate ester, cyclitol carboxylic acid.
The molecule <smiles>C1=C(C(=C(C=C1/C=C/C(O[C@H]2[C@H](O)C[C@@](C[C@H]2O)(C(O)=O)O)=O)OC)O)OC</smiles> is A cinnamate ester obtained by formal condensation of the carboxy group of sinapic acid with the 4-hydroxy group of (-)-quinic acid. Its functional parent is trans-sinapic acid. Its functional parent is (-)-quinic acid. It is also related to or classified as quinic acid, cinnamate ester.
The molecule <smiles>CCCCCCCCCC(=O)OC[C@@H](O)CO</smiles> is A 1-acyl-sn-glycerol that is the S-enantiomer of 2,3-dihydroxypropyl decanoate. It is also related to or classified as 1-acyl-sn-glycerol . It is also related to or classified as 1-monodecanoylglycerol .
The molecule <smiles>CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OC(CO)CO</smiles> is A 2-monoglyceride where the acyl group is (9Z,12Z,15Z)-octadecatrienoyl (alpha-linolenoyl). Its functional parent is alpha-linolenic acid. It is also related to or classified as 2-monoglyceride .
The molecule <smiles>[H][C@@]1(O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)Oc1c[nH]c2ccc(Br)c(Cl)c12</smiles> is an indolyl carbohydrate that is the alpha-D-galactoside of indoxyl in which the indole moiety is substituted at positions 4 and 5 by chlorine and bromine, respectively. Its functional parent is indoxyl.  It is also related to or classified as organochlorine compound . It is also related to or classified as organobromine compound . It is also related to or classified as alpha-D-galactoside . It is also related to or classified as indolyl carbohydrate, D-aldohexose derivative.
The molecule <smiles>[H][C@@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)Oc1c[nH]c2ccc(Br)c(Cl)c12</smiles> is an indolyl carbohydrate that is the alpha-D-glucoside of indoxyl in which the indole moiety is substituted at positions 4 and 5 by chlorine and bromine, respectively. Its functional parent is indoxyl. It is also related to or classified as alpha-D-glucoside .  It is also related to or classified as organochlorine compound . It is also related to or classified as organobromine compound . It is also related to or classified as indolyl carbohydrate, D-aldohexose derivative.
The molecule <smiles>[H][C@](CO)(COC(=O)CCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> is A 1,2-diacyl-sn-glycerol in which the 1- and 2-acyl groups are specified as capryl (decanoyl) and oleoyl (9Z-octadecenoyl) respectively. Its functional parent is oleic acid. It is also related to or classified as 1,2-diacyl-sn-glycerol . It is also related to or classified as 1-decanoyl-2-oleoylglycerol . It is also related to or classified as decanoate ester .
The molecule <smiles>[H][C@@]1(O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)Oc1c[nH]c2ccc(Br)c(Cl)c12</smiles> is an indolyl carbohydrate that is the alpha-D-glucuronide of indoxyl in which the indole moiety is substituted at positions 4 and 5 by chlorine and bromine, respectively. Its functional parent is indoxyl.  It is also related to or classified as organochlorine compound . It is also related to or classified as organobromine compound . It is also related to or classified as alpha-D-glucosiduronic acid . It is also related to or classified as indolyl carbohydrate, monosaccharide derivative.
The molecule <smiles>C1(C=2C=C(C=CC2)[N+](=O)[O-])C(=C(NC(=C1C(OC)=O)C)C)C(OCCN(CC3=CC=CC=C3)C)=O.Cl</smiles> is nicardipine hydrochloride. It has the role of geroprotector. It is also related to or classified as dihydropyridine .
The molecule <smiles>[H]C(=Cc1ccc(O)cc1)C(=O)OC[C@H]1OC(Oc2cc(O)c3c(c2)oc(cc3=O)-c2ccc(O)c(OC)c2)[C@H](O)[C@@H](O)[C@@H]1O</smiles> is A glycosyloxyflavone that is chrysoeriol in which the hydroxyl hydrogen at position 7 is replaced by a 6-p-coumaroylglucosyl residue. It has the role of metabolite. Its functional parent is 4',5,7-trihydroxy-3'-methoxyflavone. Its functional parent is 4-coumaric acid. It is also related to or classified as monomethoxyflavone .   It is also related to or classified as glycosyloxyflavone . It is also related to or classified as cinnamate ester, dihydroxyflavone, monosaccharide derivative.
The molecule <smiles>COc1cc(cc(OC)c1O)\C=C\C(=O)O[C@@H]1C[C@](O)(C[C@@H](O)[C@@H]1O)C(O)=O</smiles> is A cinnamate ester obtained by formal condensation of the carboxy group of sinapic acid with the 3-hydroxy group of (-)-quinic acid. It has the role of metabolite. Its functional parent is trans-sinapic acid. Its functional parent is (-)-quinic acid. It is also related to or classified as cinnamate ester, cyclitol carboxylic acid.
The molecule <smiles>COc1cc(\C=C\C(=O)OC[C@H]2OC(Oc3cc4oc(cc(=O)c4c(O)c3[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)cc(OC)c1O</smiles> is A C-glycosyl compound that is isoorientin in which the hydroxyl hydrogen at position 7 is replaced by a 6-sinapoylglucosyl residue. It has the role of metabolite. Its functional parent is trans-sinapic acid. Its functional parent is isoorientin.    It is also related to or classified as glycosyloxyflavone . It is also related to or classified as C-glycosyl compound, trihydroxyflavone, cinnamate ester.
The molecule <smiles>C[C@@H]1O[C@@H](O[C@H]2[C@@H](O[C@H](CO)[C@@H](O)[C@@H]2O)Oc2cc3oc(cc(=O)c3c(O)c2[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)-c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O</smiles> is A C-glycosyl compound that is isoorientin in which the hydroxyl hydrogen at position 7 is replaced by an alpha-L-rhamnosyl-(1->2)-beta-D-glucosyl moiety. It has the role of metabolite. Its functional parent is isoorientin.   It is also related to or classified as glycosyloxyflavone . It is also related to or classified as C-glycosyl compound, trihydroxyflavone, disaccharide derivative.
The molecule <smiles>[H][C@]1(O[C@H](CO)[C@H](O)[C@H](O)[C@H]1N)Oc1c[nH]c2ccc(Br)c(Cl)c12</smiles> is an indolyl carbohydrate that is the beta-D-galactosaminide of 3-hydroxy-1H-indole in which the indole moiety is substituted at positions 4 and 5 by chlorine and bromine, respectively. Its functional parent is indoxyl. It is also related to or classified as D-galactosaminide .  It is also related to or classified as organochlorine compound . It is also related to or classified as organobromine compound . It is also related to or classified as indolyl carbohydrate, monosaccharide derivative.
The molecule <smiles>COc1cc(ccc1O)\C=C\C(=O)OC[C@H]1OC(Oc2cc3oc(cc(=O)c3c(O)c2[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O</smiles> is A C-glycosyl compound that is isoorientin in which the hydroxyl hydrogen at position 7 is replaced by a 6-feruloylglucosyl residue. It has the role of metabolite. Its functional parent is trans-ferulic acid. Its functional parent is isoorientin.    It is also related to or classified as glycosyloxyflavone . It is also related to or classified as C-glycosyl compound, trihydroxyflavone, cinnamate ester.
The molecule <smiles>[H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1N)Oc1c[nH]c2ccc(Br)c(Cl)c12</smiles> is an indolyl carbohydrate that is the beta-D-glucosaminide of indoxyl in which the indole moiety is substituted at positions 4 and 5 by chlorine and bromine, respectively. Its functional parent is indoxyl.  It is also related to or classified as D-glucosaminide . It is also related to or classified as indolyl carbohydrate, chloroindole, bromoindole, monosaccharide derivative.
The molecule <smiles>[H][C@@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)Oc1c[nH]c2ccc(Br)c(Cl)c12</smiles> is an indolyl carbohydrate that is the alpha-D-mannoside of indoxyl in which the indole moiety is substituted at positions 4 and 5 by chlorine and bromine, respectively. It has the role of chromogenic compound. Its functional parent is indoxyl.  It is also related to or classified as alpha-D-mannoside . It is also related to or classified as organochlorine compound . It is also related to or classified as organobromine compound . It is also related to or classified as indolyl carbohydrate, D-aldohexose derivative.
The molecule <smiles>[H][C@]1(O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)Oc1c[nH]c2ccc(Br)c(Cl)c12</smiles> is an indolyl carbohydrate that is the beta-D-glucuronide of indoxyl in which the indole moiety is substituted at positions 4 and 5 by chlorine and bromine, respectively. It has the role of chromogenic compound. Its functional parent is indoxyl.   It is also related to or classified as organochlorine compound . It is also related to or classified as organobromine compound . It is also related to or classified as beta-D-glucosiduronic acid, indolyl carbohydrate, monosaccharide derivative.
The molecule <smiles>COc1cc(ccc1O)-c1cc(=O)c2c(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1</smiles> is A trihydroxyflavone that is isoscoparin glycosylated at position 2'' on the glucosyl ring by a beta-D-glucosyl residue. It has the role of metabolite. Its functional parent is isoscoparin.  It is also related to or classified as monomethoxyflavone . It is also related to or classified as C-glycosyl compound, trihydroxyflavone, disaccharide derivative.
The molecule <smiles>CCCCCCCCCC(=O)OC[C@H](O)CO</smiles> is A 3-acyl-sn-glycerol that is the R-enantiomer of 2,3-dihydroxypropyl decanoate. It is also related to or classified as 3-acyl-sn-glycerol . It is also related to or classified as 1-monodecanoylglycerol .
The molecule <smiles>OC1=CC=C(Cl)C=C1C(=O)NC1=C(Cl)C=C(C=C1)[N+]([O-])=O</smiles> is A secondary carboxamide resulting from the formal condensation of the carboxy group of 5-chlorosalicylic acid with the amino group of 2-chloro-4-nitroaniline. It is an oral anthelmintic drug approved for use against tapeworm infections. It has the role of anticoronaviral agent. It has the role of piscicide. It has the role of molluscicide. It has the role of antiparasitic agent. It has the role of anthelminthic drug. It has the role of apoptosis inducer. It has the role of STAT3 inhibitor. Its functional parent is 5-chlorosalicylic acid. It is also related to or classified as secondary carboxamide . It is also related to or classified as C-nitro compound, salicylanilides, monochlorobenzenes, benzamides.
The molecule <smiles>COc1cc(ccc1O)-c1cc(=O)c2c(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC3O[C@H](COC(=O)\C=C\c4cc(OC)c(O)c(OC)c4)[C@@H](O)[C@H](O)[C@H]3O)cc2o1</smiles> is A C-glycosyl compound that is isoscoparin in which the hydroxyl hydrogen at position 7 is replaced by a 6-sinapoylglucosyl residue. It has the role of metabolite. Its functional parent is trans-sinapic acid. Its functional parent is isoscoparin.  It is also related to or classified as monomethoxyflavone .   It is also related to or classified as glycosyloxyflavone . It is also related to or classified as C-glycosyl compound, cinnamate ester, dihydroxyflavone.
The molecule <smiles>OC[C@H](COC(CCCCCCCCCCC)=O)O</smiles> is A 3-acyl-sn-glycerol that is the R-enantiomer of 2,3-dihydroxypropyl dodecanoate (glyceryl monolaurate). It is also related to or classified as 3-acyl-sn-glycerol . It is also related to or classified as 1-monolauroylglycerol . It is also related to or classified as dodecanoate ester .
The molecule <smiles>CCCCCCCCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> is A 2,3-diacyl-sn-glycerol that has oleoyl and lauroyl as the 2- and 3-acyl groups respectively. It is also related to or classified as 2,3-diacyl-sn-glycerol . It is also related to or classified as 1-lauroyl-2-oleoylglycerol . It is also related to or classified as dodecanoate ester .
The molecule <smiles>OC[C@H]1OC(Oc2cc3oc(cc(=O)c3c(O)c2[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O</smiles> is A C-glycosyl compound that is isoorientin in which the hydroxyl hydrogen at position 7 is replaced by a glucosyl residue. It has the role of metabolite. Its functional parent is isoorientin.   It is also related to or classified as glycosyloxyflavone . It is also related to or classified as C-glycosyl compound, trihydroxyflavone, monosaccharide derivative.
The molecule <smiles>OP(O)(=O)Oc1c[nH]c2ccc(Br)c(Cl)c12</smiles> is an aryl phosphate that is indoxyl phopshate in which the indole moiety is substituted at positions 4 and 5 by chlorine and bromine, respectively. It is used to test for the presence of an enzyme, alkaline phosphatase, which cleaves the phosphate group to give 5-bromo-4-chloroindoxyl, which immediately dimerises to give an intensely blue product. It has the role of chromogenic compound. Its functional parent is indoxyl.  It is also related to or classified as organochlorine compound .  It is also related to or classified as organobromine compound . It is also related to or classified as indoles, aryl phosphate.