anonymous041/ChEBI-Augmented huggingface dataset:
The molecule O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC2=C(C=3O[C@@H](CC(=O)C3C(O)=C2C)C4=CC=C(OC)C=C4)C)CO[C@@H]5OCC(O)([C@@H]5O)CO O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC2=C(C=3O[C@@H](CC(=O)C3C(O)=C2C)C4=CC=C(OC)C=C4)C)CO[C@@H]5OCC(O)([C@@H]5O)CO is Matteucinol 7-O-beta-D-apiofuranosyl(1->6)-beta-D-glucopyranoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule O1C2=C(C=C(C3=C(O)C(CC=C(C)C)=C(O)C=C3)C1=O)C=CC(O)=C2CC=C(C)C O1C2=C(C=C(C3=C(O)C(CC=C(C)C)=C(O)C=C3)C1=O)C=CC(O)=C2CC=C(C)C is Licocoumarin A. It is also related to or classified as organic hydroxy compound , isoflavonoid .
The molecule [H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C)[C@H](C)CC[C@@H](O)C(C)C [H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C)[C@H](C)CC[C@@H](O)C(C)C is A hydroxy seco-steroid that is calciol which carries hydroxy groups at positions 1S and 24R. It is a vitamin D3 analog which is used for the treatment of psoriasis vulgaris in adults, especially on the scalp. It has the role of vitamin D receptor agonist . It has the role of antineoplastic agent . It has the role of antipsoriatic . Its functional parent is calciol . It is also related to or classified as secondary alcohol  . It is also related to or classified as seco-cholestane , D3 vitamins , hydroxy seco-steroid .
The molecule C([C@H](/C=C/C=C/C=C\[C@H](CCCC([O-])=O)O)O)/C=C\CCC(CC)O C([C@H](/C=C/C=C/C=C\[C@H](CCCC([O-])=O)O)O)/C=C\CCC(CC)O is A leukotriene anion that is the conjugate base of 18-hydroxyleukotriene B4, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as leukotriene anion .
The molecule C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(C[C@@H]([C@@H]5C6=CC(=O)OC6)O)O)C)C)O)OC)O is a cardenolide glycoside in which the parent structure gitoxigenin is glycosylated at the 3beta-hydroxy group by beta-D-digitalose. It derives from a gitoxigenin.
The molecule O([C@H]1[C@@H](O)[C@H](O)[C@H](O[C@@H]1O)COP(O)(=O)O)[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@@H]2O)CO O([C@H]1[C@@H](O)[C@H](O)[C@H](O[C@@H]1O)COP(O)(=O)O)[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@@H]2O)CO is A disaccharide phosphate consisting of an alpha-D-mannopyranose residue and an alpha-D-mannose 6-phosphate residue joined in sequence by a (1->2) glycosidic bond. Its functional parent is alpha-D-mannose 6-phosphate . Its functional parent is alpha-D-Manp-(1->2)-alpha-D-Manp . It is also related to or classified as disaccharide phosphate .
The molecule [C@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)C)OCCCCCN)O [C@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)C)OCCCCCN)O is A linear trisaccharide derivative consisting of beta-D-galactose, alpha-D-galactose and beta-L-rhamnose residues linked sequentially (1->2) and (1->3) with the rhamnose residue linked glycosidically to a 5-aminopentyl group. It is also related to or classified as glycoside  . It is also related to or classified as trisaccharide derivative .
The molecule C#N C#N is A one-carbon compound consisting of a methine group triple bonded to a nitrogen atom. It has the role of poison . It has the role of Escherichia coli metabolite . It has the role of human metabolite . It is a conjugate acid of cyanide . It is also related to or classified as hydracid  . It is also related to or classified as one-carbon compound .
The molecule O=C1O[C@@H](C[C@H]2[C@]1([C@@H]3[C@@H](CCCC3)C=C2C)C)CC O=C1O[C@@H](C[C@H]2[C@]1([C@@H]3[C@@H](CCCC3)C=C2C)C)CC is PI-200. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N)[C@@H](C)CO)C)CNC C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N)[C@@H](C)CO)C)CNC is (3S,9R,10R)-16-amino-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC(=O)NC1=CC=C(C=C1)C(=O)[O-] is an amidobenzoate that is the conjugate base of 4-acetamidobenzoic acid, arising from deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of a 4-acetamidobenzoic acid.
The molecule C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)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)O)O)CO)CO)O)CO)O)O)O is a branched pentasaccharide comprising a linear chain of alpha-L-fucosyl, beta-D-glucosaminyl, beta-D-galactosyl and alpha-D-glucose residues linked sequentially (1->4), (1->3) and (1->4), to the glucosaminyl residue of which is also linked (1->3) an alpha-D-galactosyl residue.
The molecule C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCCN(C)C)[C@@H](C)CO)C)CNC C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCCN(C)C)[C@@H](C)CO)C)CNC is 4-(dimethylamino)-N-[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-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 O=C(NC(C1=CC=C(C=C1C)C)C2=CC=CC=C2)CC3=CC=C(C=C3)OCC4=C(ON=C4C)C O=C(NC(C1=CC=C(C=C1C)C)C2=CC=CC=C2)CC3=CC=C(C=C3)OCC4=C(ON=C4C)C is tMP920 is a highly potent and selective RORgt antagonist. TMP920 inhibits RORgt binding to the SRC1 peptide. It is also related to or classified as organic molecular entity .
The molecule N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N)[C@@H]1O N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N)[C@@H]1O is A beta-D-glucosaminyl-(1->4)-D-glucosamine having beta-configuration at the reducing end anomeric centre. It is also related to or classified as beta-D-glucosaminyl-(1->4)-D-glucosamine  .
The molecule O1C23C4C5(C(C2C(CCC3)(C1=O)C)C(O)=O)CC(C(O)C4)C(C5)=C O1C23C4C5(C(C2C(CCC3)(C1=O)C)C(O)=O)CC(C(O)C4)C(C5)=C is Gibberellin A70. It is also related to or classified as C19-gibberellin , gibberellin monocarboxylic acid .
The molecule Nc1nc2NCC(=Nc2c(=O)[nH]1)[C@H](O)[C@H](O)COP(O)(O)=O Nc1nc2NCC(=Nc2c(=O)[nH]1)[C@H](O)[C@H](O)COP(O)(O)=O is 7,8-dihydroneopterin 3'-phosphate. It has the role of mouse metabolite . It has the role of Escherichia coli metabolite . Its functional parent is 7,8-dihydroneopterin . It is a conjugate acid of 7,8-dihydroneopterin 3'-phosphate(2-) . It is also related to or classified as neopterins , pterin phosphate , dihydropterin .
The molecule C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@@H](C)CO)C)CN(C)CC3CCCCC3 C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@@H](C)CO)C)CN(C)CC3CCCCC3 is N-[(3R,9R,10S)-9-[[cyclohexylmethyl(methyl)amino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C(CC(=O)O)[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)O)N is a dipeptide obtained by formal condensation of the carboxy group of L-glutamic acid with the amino group of L-glutamine. It derives from a L-glutamic acid and a L-glutamine.
The molecule C[C@@H]1O[C@@H](OC[C@H]2OC(O)[C@H](NC(C)=O)[C@@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[C@@H]3O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O C[C@@H]1O[C@@H](OC[C@H]2OC(O)[C@H](NC(C)=O)[C@@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[C@@H]3O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O is A branched amino nonasaccharide consisting of a D-GlcNAc residue at the reducing end with a beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->3)-[beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->6)]-[beta-D-Xyl-(1->2)]-beta-D-Man-(1->4)-beta-D-GlcNAc moiety attached via a beta-(1->4)-linkage and an alpha-L-Fuc residue attached via an alpha-(1->6)-linkage. It is also related to or classified as glucosamine oligosaccharide , amino sugar , amino nonasaccharide .
The molecule C1(=CNC2=C1C=CC(=C2)Cl)C[C@H](C(=O)[O-])[NH3+] C1(=CNC2=C1C=CC(=C2)Cl)C[C@H](C(=O)[O-])[NH3+] is an alpha-amino acid zwitterion resulting from the transfer of a proton from the carboxy group to the alpha-amino group of 6-chloro-D-tryptophan; major species at pH 7.3. It is also related to or classified as alpha-amino-acid zwitterion  .
The molecule S1C(=CC(=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=C(C=C4)Cl S1C(=CC(=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=C(C=C4)Cl is A member of the class of thiophenes that is thiophene in which the hydrogens at positions 2, 3, and 5 have been replaced by phenyl, phenyl, and p-chlorophenyl groups, respectively. An obsolete acaricide and insecticide that was used to control eriophyoid mites. Not approved for use within the European Union. It has the role of acaricide . It has the role of insecticide . It is also related to or classified as thiophenes , monochlorobenzenes .
The molecule O=C1C(N[C@@H]2O[C@H]([C@H](OC)[C@H]([C@H]2OC)O)C)=CC(=O)C3=C1C=C4C(=O)C5(O)C6=C(O)C(=C(C)C=C6C[C@@H](C5(C(C4=C3O)=O)OC)O)C(=O)OC O=C1C(N[C@@H]2O[C@H]([C@H](OC)[C@H]([C@H]2OC)O)C)=CC(=O)C3=C1C=C4C(=O)C5(O)C6=C(O)C(=C(C)C=C6C[C@@H](C5(C(C4=C3O)=O)OC)O)C(=O)OC is Sf2446a2. It is also related to or classified as quinone  . It is also related to or classified as tetracenes .
The molecule CC[C@@H](/C=C/C=C\\C[C@H](/C=C/C=C/C=C\\[C@H](CCCC(=O)[O-])O)O)O is an icosanoid anion that is the conjugate base of (18S)-resolvin E1, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a hydroxy fatty acid anion, an icosanoid anion, a polyunsaturated fatty acid anion and a long-chain fatty acid anion. It is a conjugate base of a (18S)-resolvin E1.
The molecule O=C(C1C(CC(=CC1C2=C(O)C=C(C=C2O)/C=C/C3=C(O)C=C(O)C=C3)CO)C4=C(O)C=C(O)C=C4)C5=C(OC6OC(C(O)C(O)C6O)C(O)=O)C(=C(O)C=C5)CC=C(C)C O=C(C1C(CC(=CC1C2=C(O)C=C(C=C2O)/C=C/C3=C(O)C=C(O)C=C3)CO)C4=C(O)C=C(O)C=C4)C5=C(OC6OC(C(O)C(O)C6O)C(O)=O)C(=C(O)C=C5)CC=C(C)C is 6-{6-[6-(2,4-dihydroxyphenyl)-2-{4-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-2,6-dihydroxyphenyl}-4-(hydroxymethyl)cyclohex-3-ene-1-carbonyl]-3-hydroxy-2-(3-methylbut-2-en-1-yl)phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid. It is also related to or classified as glycoside  . It is also related to or classified as stilbenoid .
The molecule P(=O)([O-])(OC1=CC=CC=C1)[O-] P(=O)([O-])(OC1=CC=CC=C1)[O-] is major microspecies at pH 7.3. It is also related to or classified as aryl phosphate .
The molecule C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)[O-])N is the L-enantiomer of tryptophanate. It has a role as an animal metabolite and a plant metabolite. It is a tryptophanate and a L-alpha-amino acid anion. It is a conjugate base of a L-tryptophan. It is an enantiomer of a D-tryptophanate.
The molecule O1C([C@H](OC(=O)CC(O)=O)C(O)[C@H](O)[C@@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C=4C=C(OC)C(O)=C(O)C4)C O1C([C@H](OC(=O)CC(O)=O)C(O)[C@H](O)[C@@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C=4C=C(OC)C(O)=C(O)C4)C is Larycitrin 3-(4''-malonylrhamnoside). It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1 O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1 is an organotin compound that is triphenylstannane in which the hydrogen attached to tin is replaced by a hydroxy group. A fungicide used to control a variety of infections including blight on potatoes, leaf spot on sugar beet and alternaria blight on carrots. It has the role of acaricide . It has the role of antifungal agrochemical . Its functional parent is triphenylstannane . It is also related to or classified as hydroxides , organotin compound .
The molecule N[C@@H](CCCC(O)=O)C(O)=O N[C@@H](CCCC(O)=O)C(O)=O is the L-enantiomer of 2-aminoadipic acid. It has the role of Escherichia coli metabolite . It has the role of human metabolite . Its functional parent is adipic acid . It is a conjugate acid of L-2-aminoadipate(2-) . It is a conjugate acid of L-2-aminoadipate(1-) . It is also related to or classified as 2-aminoadipic acid  .
The molecule O=C1C2=C(O)C=3C4=C(O)C(=C(C)C=C4[C@@H](O[C@@H]5O[C@H]([C@H](NC)[C@@H]([C@H]5O)O[C@@H]6O[C@@H]([C@H](O)[C@@H]([C@@H]6O)O)CO)C)[C@H](C3C=C2C(=O)C7=C1C=C(OC)C=C7O)O)C(=O)N[C@@H](C(=O)O)C O=C1C2=C(O)C=3C4=C(O)C(=C(C)C=C4[C@@H](O[C@@H]5O[C@H]([C@H](NC)[C@@H]([C@H]5O)O[C@@H]6O[C@@H]([C@H](O)[C@@H]([C@@H]6O)O)CO)C)[C@H](C3C=C2C(=O)C7=C1C=C(OC)C=C7O)O)C(=O)N[C@@H](C(=O)O)C is Pradimicin L. It is also related to or classified as quinone  . It is also related to or classified as tetracenes .
The molecule OC[C@H]1O[C@@H](Oc2cc(O)cc3[o+]c(-c4ccc(O)cc4)c(O[C@@H]4O[C@H](COC(=O)\C=C\c5ccc(O)c(O)c5)[C@@H](O)[C@H](O)[C@H]4O)cc23)[C@H](O)[C@@H](O)[C@@H]1O OC[C@H]1O[C@@H](Oc2cc(O)cc3[o+]c(-c4ccc(O)cc4)c(O[C@@H]4O[C@H](COC(=O)\C=C\c5ccc(O)c(O)c5)[C@@H](O)[C@H](O)[C@H]4O)cc23)[C@H](O)[C@@H](O)[C@@H]1O is pelargonidin 3-O-(6-O-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside. Its functional parent is pelargonidin . It is a conjugate acid of pelargonidin 3-O-(6-O-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside betaine . It is also related to or classified as anthocyanin cation  .
The molecule CCCN(C)C[C@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl)O[C@@H](CCCCO1)C)[C@@H](C)CO)C CCCN(C)C[C@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl)O[C@@H](CCCCO1)C)[C@@H](C)CO)C is 4-chloro-N-[(3R,9R,10S)-12-[(2S)-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]benzenesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC1([C@H]([C@H]2[C@@H](O1)OC3=C2C(=C(C=C3)C(=O)/C=C/C4=CC=CC=C4)O)O)C is a member of the class of chalcones isolated from Tephrosia purpurea and has been shown to exhibit antineoplastic activity. It has a role as an antineoplastic agent and a plant metabolite. It is a member of chalcones, a member of phenols, a secondary alcohol, a cyclic ether and an organic heterotricyclic compound.
The molecule C[C@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)C3=NC=CN=C3)O[C@H]1CNC)[C@H](C)CO C[C@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)C3=NC=CN=C3)O[C@H]1CNC)[C@H](C)CO is N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2-pyrazinecarboxamide. It is also related to or classified as secondary carboxamide  . It is also related to or classified as tertiary carboxamide  . It is also related to or classified as pyrazines .
The molecule ClC(Cl)C(=O)NC(C(C1=CC=C(NC(=O)C)C=C1)C=2C3=C(C=CC=C3)NC2)CO ClC(Cl)C(=O)NC(C(C1=CC=C(NC(=O)C)C=C1)C=2C3=C(C=CC=C3)NC2)CO is N-{1-[4-(acetylamino)phenyl]-3-hydroxy-1-(1H-indol-3-yl)propan-2-yl}-2,2-dichloroacetamide. It is also related to or classified as anilide  . It is also related to or classified as acetamides .
The molecule O([C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C)O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O)O)CCCCCN O([C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C)O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O)O)CCCCCN is A linear tetrasaccharide derivative consisting of beta-D-galactose, alpha-D-galactose, beta-L-rhamnose and beta-D-glucose residues linked sequentially (1->2), (1->3) and (1->4), with the glucose residue linked glycosidically to a 5-aminopentyl group. It is also related to or classified as glycoside  . It is also related to or classified as tetrasaccharide derivative .
The molecule C([C@H](NC(CC[C@H](N)C(=O)O)=O)C(O)=O)S[C@H](\C=C\C=C\C=C/C/C=C\CCCCC)[C@@H](O)CCCC(=O)O C([C@H](NC(CC[C@H](N)C(=O)O)=O)C(O)=O)S[C@H](\C=C\C=C\C=C/C/C=C\CCCCC)[C@@H](O)CCCC(=O)O is A leukotriene composed of (7E,9E,11Z,14Z)-icosa-7,9,11,14-tetraenoic acid having (5S)-hydroxy and (6R)-(L-gamma-glutamyl-L-cystein-S-yl) substituents. It has the role of human metabolite . Its functional parent is icosa-7,9,11,14-tetraenoic acid . It is a conjugate acid of leukotriene F4(2-) . It is also related to or classified as organic sulfide  . It is also related to or classified as leukotriene  . It is also related to or classified as dipeptide  .
The molecule C1=C[C@H]([C@H](C(=C1)/C=C/C(=O)O)O)O is a 3-(cis-5,6-dihydroxycyclohexa-1,3-dienyl)acrylic acid. It is a conjugate acid of a 3-[(5R,6S)-5,6-dihydroxycyclohexa-1,3-dienyl]acrylate. It is an enantiomer of a 3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dienyl]acrylic acid.
The molecule [Sm] [Sm] is samarium atom. It is also related to or classified as lanthanoid atom  . It is also related to or classified as f-block element atom .
The molecule O([C@H]1[C@H](O)[C@H](O)[C@@H](O[C@@H]1CO)O)[C@@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)CO O([C@H]1[C@H](O)[C@H](O)[C@@H](O[C@@H]1CO)O)[C@@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)CO is A disaccharide that is D-mannopyranose in which the hydroxy group at position 4 has been converted into the corresponding beta-D-galactopyranosyl derivative. Its functional parent is beta-D-galactose . Its functional parent is beta-D-mannose . It is also related to or classified as disaccharide  .
The molecule CCCCCCCC(=O)NCCCC[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)C is a mimotope of the pyruvate dehydrogenase E2 component (PDC-E2) comprising an octanoyl group linked to the lipoated PDC-E2 core dodecapeptide (DKATIGFEVQEE) at N-6 of lysine. It has a role as a mimotope. It is a lipopeptide and a polypeptide.
The molecule O=C1[C@@H]([C@@H](CC1)CC(O)=O)C/C=C\C(O)C O=C1[C@@H]([C@@H](CC1)CC(O)=O)C/C=C\C(O)C is Epi-4'-hydroxyjasmonic acid. Its functional parent is jasmonic acid . It is also related to or classified as Jasmonate derivatives .
The molecule CC1=CC2=NC3=C(C=C(C=C3)N(C)C)N=C2C=C1N is a member of the class of phenazines carrying methyl, amino and dimethylamino substituents at positions 2, 3 and 7 respectively. The free base of neutral red, which acts as a pH indicator, changing from red to yellow between pH 6.8 and 8.0. It has a role as a dye, an acid-base indicator and a two-colour indicator. It is a member of phenazines, a tertiary amino compound, a primary amino compound and an aromatic amine. It is a conjugate base of a neutral red(1+).
The molecule CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCC/C=C\\CCCCCCCCCC is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which the 1- and 2-acyl groups are specified as hexadecanoyl (palmitoyl) and 7Z-octadecenoyl respectively. It has a role as a mouse metabolite. It derives from a hexadecanoic acid.
The molecule C1COCCN1S(=O)(=O)C2=NN=C(S2)NC(=O)C3=CC(=CC=C3)Br C1COCCN1S(=O)(=O)C2=NN=C(S2)NC(=O)C3=CC(=CC=C3)Br is 3-bromo-N-[5-(4-morpholinylsulfonyl)-1,3,4-thiadiazol-2-yl]benzamide. It is also related to or classified as organohalogen compound  . It is also related to or classified as carbonyl compound .
The molecule O([C@@H]1[C@H]([C@@H](O[C@@H]([C@@H]1O[C@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C)O)O)O)CO)OCCCCCN)NC(C)=O)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)C)O)O[C@@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)O)O)O O([C@@H]1[C@H]([C@@H](O[C@@H]([C@@H]1O[C@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C)O)O)O)CO)OCCCCCN)NC(C)=O)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)C)O)O[C@@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)O)O)O is A branched hexasaccharide derivative consisting of a linear pentasaccharide unit of beta-D-galactose, alpha-D-galactose, beta-L-rhamnose, beta-D-glucose and N-acetyl-beta-D-galactosamine residues linked sequentially (1->2), (1->3), (1->4) and (1->3), to the N-acetylgalactosamine residue of which is also linked (1->4) an alpha-L-rhamnosyl residue, the whole linked glycosidically to a 5-aminopentyl group. It is also related to or classified as glycoside  . It is also related to or classified as hexasaccharide derivative .
The molecule ClC1=C(OC)C(Cl)=CC(=C1O)Cl ClC1=C(OC)C(Cl)=CC(=C1O)Cl is 2,4,6-trichloro-3-methoxyphenol. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule C([C@H](NC(CC[C@H]([NH3+])C(=O)[O-])=O)C([O-])=O)S[C@H](\C=C\C=C\C=C/C/C=C\CCCCC)[C@@H](O)CCCC(=O)[O-] C([C@H](NC(CC[C@H]([NH3+])C(=O)[O-])=O)C([O-])=O)S[C@H](\C=C\C=C\C=C/C/C=C\CCCCC)[C@@H](O)CCCC(=O)[O-] is A leukotriene anion obtained by deprotonation of the three carboxy groups and protonation of the glutamyl alpha-amino group of leukotriene F4; major species at pH 7.3. It is also related to or classified as tricarboxylic acid dianion , peptide anion , leukotriene anion .
The molecule CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-])NC(=O)[C@H](CC(=O)O)NC(=O)C is a mimotope of the pyruvate dehydrogenase E2 component (PDC-E2) comprising a [(2E)-3-(3-nitrophenyl)prop-2-enoyl]- group linked to the lipoated PDC-E2 core dodecapeptide (DKATIGFEVQEE) at N-6 of lysine. It has a role as a mimotope. It is a polypeptide and a lipopeptide.
The molecule C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](CO)O[C@@H](OC[C@H]4O[C@H](O)[C@H](NC(C)=O)[C@@H](O)[C@H]4O)[C@@H]3NC(C)=O)O[C@H](CO)[C@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](CO)O[C@@H](OC[C@H]4O[C@H](O)[C@H](NC(C)=O)[C@@H](O)[C@H]4O)[C@@H]3NC(C)=O)O[C@H](CO)[C@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O is A branched amino pentasaccharide comprising a linear tetrasaccharide unit consisting of N-acetyl-alpha-D-galactosaminyl, beta-D-galactosyl, N-acetyl-beta-D-glucosaminyl and (at the reducing end) N-acetyl-alpha-D-galactosamine residues linked in sequence (1->3), (1->3) and (1->6), to the beta-galactosyl residue is linked also (1->2) an alpha-L-fucosyl residue. It is also related to or classified as galactosamine oligosaccharide , glucosamine oligosaccharide , amino pentasaccharide .
The molecule CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC1[C@@H]([C@H](C([C@H]([C@H]1O)OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-])O)OC(=O)CCCCCCC is a 1-phosphatidyl-1D-myo-inositol 3,4,5-trisphosphate(7-) in which the phosphatidyl acyl groups at positions 1 and 2 are both specified as octanoyl. It is a conjugate base of a 1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-3,4,5-trisphosphate).
The molecule O([C@H]1[C@H](O)[C@H](OC(O)[C@H]1O)CO)[C@@H]2O[C@H]([C@H](O)[C@H]2O)[C@H](O)CO O([C@H]1[C@H](O)[C@H](OC(O)[C@H]1O)CO)[C@@H]2O[C@H]([C@H](O)[C@H]2O)[C@H](O)CO is A glycosylmannose that is D-mannopyranose in which the hydroxy group at position 3 has been converted into the corresponding beta-D-galactofuranosyl derivative. Its functional parent is D-mannopyranose . Its functional parent is beta-D-galactofuranose . It is also related to or classified as glycosylmannose .
The molecule C12=CC=CC=C1C=C(C(O2)=O)C(=O)C C12=CC=CC=C1C=C(C(O2)=O)C(=O)C is A member of the class of coumarins that is coumarin in which the hydrogen at position 3 is replaced by an acetyl group. It is also related to or classified as coumarins .