anonymous041/ChEBI-Augmented huggingface dataset:
The molecule P(OC[C@@H](CO/C=C\CCCCCCCCCCCCCCCC)O)(=O)(OCCNC(CCCCCCC/C=C\CCCCCCCC)=O)[O-] P(OC[C@@H](CO/C=C\CCCCCCCCCCCCCCCC)O)(=O)(OCCNC(CCCCCCC/C=C\CCCCCCCC)=O)[O-] is A 1-(alk-1Z-enyl)-sn-glycero-3-phospho-(N-acyl)ethanolamine(1-) obtained by deprotonation of the phosphate OH group of 1-(1Z-octadecenyl)-sn-glycero-3-phospho-(N-oleoyl)ethanolamine; major species at pH 7.3. It is also related to or classified as anionic phospholipid .
The molecule S1S[C@]2(N(C)C([C@@]1(N(C)C2=O)CO)=O)CC3=CC=CC=C3 S1S[C@]2(N(C)C([C@@]1(N(C)C2=O)CO)=O)CC3=CC=CC=C3 is A26771A.  It is also related to or classified as organic disulfide  .  It is also related to or classified as 2,5-diketopiperazines  . It is also related to or classified as indoles , organic heteropentacyclic compound .
The molecule [H][C@@]1(O[C@@](C[C@@H](O)[C@H]1O)(OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(N)nc1=O)C([O-])=O)[C@H](O)CO [H][C@@]1(O[C@@](C[C@@H](O)[C@H]1O)(OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(N)nc1=O)C([O-])=O)[C@H](O)CO is A doubly-charged nucleotide-sugar oxoanion arising from deprotonation of the carboxylic acid and phosphate functions of CMP-3-deoxy-alpha-D-manno-octulosonic acid. It is also related to or classified as nucleotide-sugar oxoanion .
The molecule CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O[C@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O is an amino trisaccharide consisting of two D-mannose residues, linked alpha(1->3), and an N-acetyl-D-glucosamine residue, linked alpha(1->4), at the reducing end. An intermediate glycan structure of glycosylated proteins It is a glucosamine oligosaccharide and an amino trisaccharide.
The molecule [H][In]([H])[H] [H][In]([H])[H] is indigane. It is also related to or classified as indium molecular entity , mononuclear parent hydride .
The molecule CC(S)=O CC(S)=O is A thioacetic acid that is acetic acid in which the oxygen atom of the hydroxy group has been replaced by a sulfur atom. It is also related to or classified as thioacetic acid .
The molecule C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)S(=O)(=O)C3=CC=C(C=C3)F C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)S(=O)(=O)C3=CC=C(C=C3)F is N-[[(3S,9S,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-4-fluoro-N-methylbenzenesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule P(OC[C@@H](CO/C=C\CCCCCCCCCCCCCCCC)O)(=O)(OCCNC(CCCCCCCCCCCCCCC)=O)[O-] P(OC[C@@H](CO/C=C\CCCCCCCCCCCCCCCC)O)(=O)(OCCNC(CCCCCCCCCCCCCCC)=O)[O-] is A 1-(alk-1Z-enyl)-sn-glycero-3-phospho-(N-acyl)ethanolamine(1-) obtained by deprotonation of the phosphate OH group of 1-O-(1Z-octadecenyl)-sn-glycero-3-phospho-(N-hexadecanoyl)ethanolamine; major species at pH 7.3. Its functional parent is N-hexadecanoyl-1-[(1Z)-octadecenoyl]-2-oleoyl-sn-glycero-3-phosphoethanolamine(1-) . It is also related to or classified as N-acyl-1-[(1Z)-alkenyl]-sn-glycero-3-phosphoethanolamine(1-)  .
The molecule [H]C(N[C@@H](CC1=CC=CC=C1)C(O)=O)=O [H]C(N[C@@H](CC1=CC=CC=C1)C(O)=O)=O is an N-acyl-L-phenylalanine that is L-phenylalanine in which one of the hydrogens of the amino group has been replaced by a formyl group. It is a conjugate acid of N-formyl-L-phenylalaninate . It is also related to or classified as N-acyl-L-phenylalanine  .
The molecule O=C/1NC(C(=O)NCC(=O)N(C(C(=O)NC(C(=O)OC(C(C(NC(C(NC(C(N\C1=C/C)=O)CC2=CC=C(O)C=C2)=O)C(O)C)=O)NC(=O)C(NC(=O)C(O)C(O[C@H]3O[C@@H](C(O)C(C3O)O)C)CCCCCCCCCCC)C(O)C)C)CCC(=O)N)C(O[C@@H]4OC(C(O)[C@H]([C@H]4O)O)CO)C)C)CCC(=O)N O=C/1NC(C(=O)NCC(=O)N(C(C(=O)NC(C(=O)OC(C(C(NC(C(NC(C(N\C1=C/C)=O)CC2=CC=C(O)C=C2)=O)C(O)C)=O)NC(=O)C(NC(=O)C(O)C(O[C@H]3O[C@@H](C(O)C(C3O)O)C)CCCCCCCCCCC)C(O)C)C)CCC(=O)N)C(O[C@@H]4OC(C(O)[C@H]([C@H]4O)O)CO)C)C)CCC(=O)N is Habetaallidin B. It is also related to or classified as glycoside  . It is also related to or classified as cyclodepsipeptide  .
The molecule C[C@@H]1CC[C@H]2[C@]13CCC(C3)C(=C)C2(C)C is a tricyclic hydrocarbon and sesquiterpene that is octahydro-1H-3a,6-methanoazulene which is substituted by a methylidene group at position 7 and by methyl groups at positions 3, 8, and 8. It is a sesquiterpene and a tricyclic hydrocarbon.
The molecule [H][C@@]12[C@H]3OC(=O)C(=C)[C@@H]3CC[C@@]1(C)[C@H](O)CC=C2C [H][C@@]12[C@H]3OC(=O)C(=C)[C@@H]3CC[C@@]1(C)[C@H](O)CC=C2C is A sesquiterpene lactone of the eudesmanolide group. It is also related to or classified as sesquiterpene lactone .
The molecule O=C(N[C@@H](C)C(O)=O)CCCCCCCCCCCCCCC O=C(N[C@@H](C)C(O)=O)CCCCCCCCCCCCCCC is N-Palmitoyl alanine. It is a conjugate acid of N-palmitoyl-L-alaninate . It is also related to or classified as N-acyl-L-amino acid .
The molecule S(O)(=O)(=O)N[C@@H]1[C@@H](OS(O)(=O)=O)[C@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)[C@H](O[C@@H]1O)COS(O)(=O)=O S(O)(=O)(=O)N[C@@H]1[C@@H](OS(O)(=O)=O)[C@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)[C@H](O[C@@H]1O)COS(O)(=O)=O is (2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-[(2R,3R,4R,5R,6S)-6-hydroxy-5-(sulfoamino)-4-sulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxyoxane-2-carboxylic acid. It is also related to or classified as carbohydrate sulfate , disaccharide derivative .
The molecule C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[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)CCC(F)(F)F)[C@H](C)CO)C)CNC is 4,4,4-trifluoro-N-[(3R,9R,10S)-12-[(2R)-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(O)[C@@H](N)CCCCCCCCSC O=C(O)[C@@H](N)CCCCCCCCSC is an L-polyhomomethionine in which there are eight methylene groups between the alpha-carbon and sulfur atoms.  It is also related to or classified as hexahomomethionine  . It is also related to or classified as L-polyhomomethionine .
The molecule C=1(C=CC(=CC1)C(OC)=O)OS([O-])(=O)=O C=1(C=CC(=CC1)C(OC)=O)OS([O-])(=O)=O is A phenyl sulfate oxoanion that is the conjugate base of methyl-4-hydroxybenzoate O-sulfate, obtained by deprotonation of the sulfate group; major species at pH 7.3. It is also related to or classified as phenyl sulfate oxoanion  .
The molecule O=C1C(CC=CC2C3(C(=O)NC(C3C(C)C4(C2O4)C)CC5=CC=CC=C5)OC(CCC1C)=O)CO O=C1C(CC=CC2C3(C(=O)NC(C3C(C)C4(C2O4)C)CC5=CC=CC=C5)OC(CCC1C)=O)CO is (10E)-18-benzyl-8-(hydroxymethyl)-6,15,16-trimethyl-2,14-dioxa-19-azatetracyclo[10.8.0.01,17.013,15]icos-10-ene-3,7,20-trione. It is also related to or classified as lactam  . It is also related to or classified as macrolide  .
The molecule CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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 CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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 is A medium-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of decanoic acid. It has the role of mouse metabolite . It has the role of Escherichia coli metabolite . Its functional parent is coenzyme A . Its functional parent is decanoic acid . It is a conjugate acid of decanoyl-CoA(4-) . It is also related to or classified as saturated fatty acyl-CoA  . It is also related to or classified as medium-chain fatty acyl-CoA .
The molecule O=C1O[C@@](O)(CCC(=O)OC)C(C1)=C(C(=O)OC)C(=O)OC O=C1O[C@@](O)(CCC(=O)OC)C(C1)=C(C(=O)OC)C(=O)OC is Ghanamycin A. Its functional parent is tetracarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule C[C@@]12C[C@H](C[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@](C4)(C(=C)C5)O)C(=O)O)COC2=O)O is a C20-gibberellin that is tha lactone form of gibberellin A15 carrying two additional hydroxy substituents at positions 3 and 7. It has a role as a plant metabolite. It is a C20-gibberellin, a gibberellin monocarboxylic acid, a lactone, a dihydroxy monocarboxylic acid and an olefinic compound. It derives from a gibberellin A15 (lactone form).
The molecule CC1=CC(=C(C)N1C2=CC=C(C=C2)F)C(CN3CCCC3)=O CC1=CC(=C(C)N1C2=CC=C(C=C2)F)C(CN3CCCC3)=O is IU1. It has the role of EC 3.4.19.* (omega-peptidase) inhibitor . It is also related to or classified as organic molecular entity .
The molecule OC(=O)CCCCCCCCCCCCCCC1=CC=CC=C1 OC(=O)CCCCCCCCCCCCCCC1=CC=CC=C1 is 15-phenyl pentadecanoic acid. It is also related to or classified as long-chain fatty acid  .
The molecule [H][C@]1(C[C@@H](C)C[C@H](C)C1=O)[C@H](O)CC1CC(=O)NC(=O)C1 [H][C@]1(C[C@@H](C)C[C@H](C)C1=O)[C@H](O)CC1CC(=O)NC(=O)C1 is A dicarboximide that is 4-(2-hydroxyethyl)piperidine-2,6-dione in which one of the hydrogens attached to the carbon  bearing the hydroxy group is replaced by a 3,5-dimethyl-2-oxocyclohexyl group. It is an antibiotic produced by the bacterium Streptomyces griseus. It has the role of anticoronaviral agent . It has the role of ferroptosis inhibitor . It has the role of protein synthesis inhibitor . It has the role of neuroprotective agent . It has the role of bacterial metabolite . Its functional parent is piperidine-2,6-dione . It is also related to or classified as dicarboximide  . It is also related to or classified as secondary alcohol  . It is also related to or classified as cyclic ketone , piperidones , piperidine antibiotic , antibiotic fungicide .
The molecule CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC([O-])=O CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC([O-])=O is retinoate.  It is also related to or classified as monocarboxylic acid anion  . It is also related to or classified as retinoid anion .
The molecule OC(=O)c1ccc(O)cc1 OC(=O)c1ccc(O)cc1 is A monohydroxybenzoic acid that is benzoic acid carrying a hydroxy substituent at C-4 of the benzene ring. It has the role of plant metabolite . It has the role of algal metabolite . It is a conjugate acid of 4-hydroxybenzoate . It is also related to or classified as monohydroxybenzoic acid .
The molecule O=C1C(=COCC1)CC(=O)OCCC2=CC=C(O)C=C2 O=C1C(=COCC1)CC(=O)OCCC2=CC=C(O)C=C2 is 4-hydroxyphenethyl 2-(4-oxo-5,6-dihydro-2H-pyran-3-yl) acetate. It is also related to or classified as alcohol  . It is also related to or classified as phenols  .
The molecule OC(=O)C(=C)OP(O)(O)=O OC(=O)C(=C)OP(O)(O)=O is A monocarboxylic acid that is acrylic acid substituted by a phosphonooxy group at position 2. It is a metabolic intermediate in pathways like glycolysis and gluconeogenesis. It has the role of fundamental metabolite . Its functional parent is acrylic acid . It is a conjugate acid of phosphoenolpyruvate . It is a conjugate acid of phosphonatoenolpyruvate . It is also related to or classified as monocarboxylic acid , carboxyalkyl phosphate .
The molecule NC(N)=N NC(N)=N is an aminocarboxamidine, the parent compound of the guanidines.  It is also related to or classified as carboxamidine  . It is also related to or classified as guanidines , one-carbon compound .
The molecule OC(CCC([O-])=O)C OC(CCC([O-])=O)C is major microspecies at pH 7.3. It is also related to or classified as hydroxy fatty acid anion .
The molecule C1=CC=C(C=C1)C2=CC(=O)OC3=CC=CC=C32 is the simplest member of the class of neoflavones that is coumarin substituted by a phenyl group at position 4.
The molecule COC1=C(OC)C(=O)C(C)=CC1=O COC1=C(OC)C(=O)C(C)=CC1=O is A derivative of benzoquinone carrying a 5-methyl substituent; and methoxy substituents at positions 2 and 3. The core structure of the ubiquinone group of compounds. It has the role of Escherichia coli metabolite . It has the role of human metabolite . It is also related to or classified as ubiquinones  .
The molecule C=1(C=CC(=CC1)C(OC)=O)OS(O)(=O)=O C=1(C=CC(=CC1)C(OC)=O)OS(O)(=O)=O is A benzoate ester that is methyl-4-hydroxybenzoate in which the phenolic hydrogen has been replaced by a sulfo group. Its functional parent is 4-hydroxybenzoic acid . It is a conjugate acid of methyl-4-hydroxybenzoate O-sulfate(1-) . It is also related to or classified as methyl ester  . It is also related to or classified as benzoate ester , aryl sulfate .
The molecule O=C(OC)/C=C/C(C)(C)C O=C(OC)/C=C/C(C)(C)C is 4,4-Dimethyl-pentenoic acid methyl ester. It is also related to or classified as fatty acid ester  .
The molecule [C@H]12O[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)CO)O[C@@H]5[C@@H]([C@H]([C@H](O[C@@H]6[C@@H]([C@H]([C@H](O[C@@H]7[C@@H]([C@H]([C@H](O[C@H]([C@@H]([C@H]1O)O)O[C@@H]2CO)[C@H](O7)CO)O)O)[C@H](O6)CO)O)O)[C@H](O5)CO)O)O)O)O)O)O [C@H]12O[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)CO)O[C@@H]5[C@@H]([C@H]([C@H](O[C@@H]6[C@@H]([C@H]([C@H](O[C@@H]7[C@@H]([C@H]([C@H](O[C@H]([C@@H]([C@H]1O)O)O[C@@H]2CO)[C@H](O7)CO)O)O)[C@H](O6)CO)O)O)[C@H](O5)CO)O)O)O)O)O)O is A cycloamylose composed of six alpha-(1->4) linked D-glucopyranose units. It is also related to or classified as cyclodextrin .
The molecule CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](C(=O)[O-])[NH3+])OC(=O)CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CC is a phosphatidylserine 38:6 that is the conjugate base of hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoserine; major species at pH 7.3. It is a conjugate base of a 1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoserine.
The molecule C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)F)[C@@H](C)CO)C)CN(C)C C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)F)[C@@H](C)CO)C)CN(C)C is N-[(3S,9S,10S)-9-[(dimethylamino)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]-4-fluorobenzenesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule [AsH]1C=CC=C1 [AsH]1C=CC=C1 is that one of the three tautomers of arsole that has the double bonds at positions 2 and 4. It is also related to or classified as arsole  .
The molecule [H]C(=O)C=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C [H]C(=O)C=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C is an enal that consists of 3,7-dimethyl-9-nona-2,4,6,8-tetraenal (double bond geometry unspecified) carrying a 2,6,6-trimethylcyclohex-1-en-1-yl group at the 9-position. It has the role of human metabolite .  It is also related to or classified as enal  . It is also related to or classified as retinals .
The molecule C=1(C=CC(=CC1)CC[NH3+])OS([O-])(=O)=O C=1(C=CC(=CC1)CC[NH3+])OS([O-])(=O)=O is A zwitterion obtained by transfer of a proton from the sulfate to the amino group of tyramine sulfate; major species at pH 7.3. It has the role of human xenobiotic metabolite . It has the role of human urinary metabolite . It is also related to or classified as zwitterion  .
The molecule O=C1C=2O[C@]([C@@H]3CCC(=C[C@@H]3C2C(=O)C=4C1=C(O)C=C(O)C4)C)(CCC=C(C)C)C O=C1C=2O[C@]([C@@H]3CCC(=C[C@@H]3C2C(=O)C=4C1=C(O)C=C(O)C4)C)(CCC=C(C)C)C is Debromomarinone. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule O1[C@H]([C@H](O)[C@@H](O)[C@@H](O)[C@@H]1OC=2C=C3O[C@@H](CC(=O)C3=C(O)C2)C4=CC(O)=C(O)C=C4)C O1[C@H]([C@H](O)[C@@H](O)[C@@H](O)[C@@H]1OC=2C=C3O[C@@H](CC(=O)C3=C(O)C2)C4=CC(O)=C(O)C=C4)C is Eriodictin. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule N=C=S N=C=S is isothiocyanic acid. It is a conjugate acid of thiocyanate . It is also related to or classified as hydracid  . It is also related to or classified as one-carbon compound .
The molecule CCC(C)CCCCCCCCCCCCCCCCCO is a long-chain primary fatty alcohol that is icosan-1-ol substituted by a methyl group at position 18. It derives from an icosan-1-ol.
The molecule O=[V++].[O-]S([O-])(=O)=O O=[V++].[O-]S([O-])(=O)=O is vanadyl sulfate. It is also related to or classified as vanadium coordination entity , metal sulfate .
The molecule COc1cccc(I)c1O COc1cccc(I)c1O is 2-iodo-6-methoxyphenol. It is also related to or classified as phenols  . It is also related to or classified as organoiodine compound  .
The molecule COc1ccc(CCN)cc1OC COc1ccc(CCN)cc1OC is an  aromatic ether that is the derivative of 2-phenylethylamine with methoxy substituents at the 3- and 4-positions. It is an alkaloid isolated from the Cactaceae family. It has the role of allergen . It has the role of plant metabolite . It is also related to or classified as alkaloid  .  It is also related to or classified as phenylethylamine  . It is also related to or classified as aromatic ether .
The molecule C=1(C=CC(=CC1)CCN)OS(O)(=O)=O C=1(C=CC(=CC1)CCN)OS(O)(=O)=O is an aryl sulfate that is tyramine in which the phenolic hydrogen at position 4 has been replaced by a sulfo group. It has the role of human xenobiotic metabolite . It has the role of human urinary metabolite . Its functional parent is tyramine . It is also related to or classified as aryl sulfate , primary amino compound .
The molecule C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@@H](C)CO)C)CN(C)C(=O)C4CCCCC4 C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@@H](C)CO)C)CN(C)C(=O)C4CCCCC4 is N-[(3R,9R,10S)-9-[[[cyclohexyl(oxo)methyl]-methylamino]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]-4-pyridinecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCC1=CN=CN=C1N2CCN(CC2)CC3=NC=4C=CC(=CC4N3)C(F)(F)F CCC1=CN=CN=C1N2CCN(CC2)CC3=NC=4C=CC(=CC4N3)C(F)(F)F is PF-4708671. It has the role of inhibitor . It is also related to or classified as organic molecular entity .
The molecule O=C1OC2=C(C=CC(=C2)O[C@@H]3OC([C@H](OC)[C@H]([C@H]3O)OC(=O)C=4NC(C)=CC4)(C)C)C(=C1NC(=O)C5=CC(=C(O)C=C5)CC=C(C)C)O O=C1OC2=C(C=CC(=C2)O[C@@H]3OC([C@H](OC)[C@H]([C@H]3O)OC(=O)C=4NC(C)=CC4)(C)C)C(=C1NC(=O)C5=CC(=C(O)C=C5)CC=C(C)C)O is Novclobiocin 101.  It is also related to or classified as glycoside  . It is also related to or classified as coumarins .
The molecule Fc1cccc(F)c1C(=O)NC(=O)Nc1cc(Cl)c(F)c(Cl)c1F Fc1cccc(F)c1C(=O)NC(=O)Nc1cc(Cl)c(F)c(Cl)c1F is A N-acylurea that is N-carbamoyl-2,6-difluorobenzamide substituted by a 3,5-dichloro-2,4-difluorophenyl group at the terminal nitrogen atom. It has the role of insecticide . It has the role of xenobiotic . It has the role of environmental contaminant . Its functional parent is N-benzoylurea . It is also related to or classified as dichlorobenzene  . It is also related to or classified as difluorobenzene  . It is also related to or classified as N-acylurea .
The molecule C1[C@H]([C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O[C@@H]1C(=O)O)OP(=O)(O)O is an N-glycosyl compound with formula C12H15N2O11P that is a common intermediate in the biosynthesis of nikkomycins and polyoxins by bacteria. It has a role as a bacterial metabolite. It is a N-glycosyl compound, a furopyran, a 5-hydroxy monocarboxylic acid, a secondary alcohol, a pyrimidone and a monoalkyl phosphate. It derives from a uridine 5'-monophosphate.
The molecule CCCCC\C=C/CC\C=C\C(O)=O CCCCC\C=C/CC\C=C\C(O)=O is (2-trans,6-cis)-dodeca-2,6-dienoic acid. It is also related to or classified as dodecadienoic acid , alpha,beta-unsaturated monocarboxylic acid .
The molecule O[C@H]1[C@@]2([C@]([C@]3([C@@]([C@](CC3)([C@@H](CC[C@@H](O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO)CO)C(O)(C)C)C)[H])(C1)C)C)(CC=C6[C@]2(CC[C@H](O)C6(C)C)[H])[H])C O[C@H]1[C@@]2([C@]([C@]3([C@@]([C@](CC3)([C@@H](CC[C@@H](O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO)CO)C(O)(C)C)C)[H])(C1)C)C)(CC=C6[C@]2(CC[C@H](O)C6(C)C)[H])[H])C is mogroside IIA. It has the role of plant metabolite . Its functional parent is mogroside I-A1 .  It is also related to or classified as beta-D-glucoside  . It is also related to or classified as mogroside .
The molecule C(C(NCCS([O-])(=O)=O)=O)CCCCCCCCCCCCCC C(C(NCCS([O-])(=O)=O)=O)CCCCCCCCCCCCCC is A fatty acid-taurine conjugate obtained by deprotonation of the sulfonate group of N-hexadecanoyltaurine; major species at pH 7.3. It is also related to or classified as fatty acid-taurine conjugate(1-)  .
The molecule C[C@H]1[C@H]2CC[C@H]3[C@]([C@@H]2CC=C1C=C)(CC(=O)CC3(C)C)C is a diterpenoid that is ent-cassa-12,15-diene in which the methylene hydrogens at position 2 have been replaced by a keto group. It has a role as a plant metabolite. It is a diterpenoid and a cyclic terpene ketone. It derives from a hydride of an ent-cassa-12,15-diene.
The molecule C1C=CC=CC=C1 C1C=CC=CC=C1 is A cycloheptatriene with unsaturation at positions 1, 3 and 5. It is also related to or classified as annulene  . It is also related to or classified as cycloheptatriene .
The molecule C(/C(=C/[O-])/C=C/C(=O)C(=O)O)C(=O)[O-] is dicarboxylate anion of 5-formyl-2-hydroxyhepta-2,4-dienedioic acid; major species at pH 7.3. It is a conjugate base of a 5-formyl-2-hydroxyhepta-2,4-dienedioic acid.
The molecule O1C23C4C5(C(C2C(CC=C3)(C1=O)C)C(O)=O)CC(O)(C(O)C4)C(C5)=C O1C23C4C5(C(C2C(CC=C3)(C1=O)C)C(O)=O)CC(O)(C(O)C4)C(C5)=C is Gibberellin GA126. It is also related to or classified as C19-gibberellin , gibberellin monocarboxylic acid .
The molecule COC(=O)C1=CC=C(O1)CSC2=NNC(=S)S2 COC(=O)C1=CC=C(O1)CSC2=NNC(=S)S2 is 5-[[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)thio]methyl]-2-furancarboxylic acid methyl ester. Its functional parent is 2-furoic acid . It is also related to or classified as carboxylic ester  .
The molecule C(=C\[C@H](C/C=C\CC)O)\C=C\C=C\[C@@H](C/C=C\CCCCCC(=O)[O-])O C(=C\[C@H](C/C=C\CC)O)\C=C\C=C\[C@@H](C/C=C\CCCCCC(=O)[O-])O is A docosanoid anion that is the conjugate base of (10R,17S)-dihydroxy-(7Z,11E,13E,15Z,19Z)-docosapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.  It is also related to or classified as hydroxy polyunsaturated fatty acid anion  . It is also related to or classified as docosanoid anion .
The molecule CC(=O)CSCCS(=O)(=O)[O-] is conjugate base of 2-oxopropyl-coenzyme M arising from deprotonation of the sulfonate function. It is a conjugate base of a 2-oxopropyl-CoM.
The molecule CC(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)[C@H](C(=O)NCCC(=O)NCCSC(=O)C4=CCCCC4O)O is the S-(6-hydroxycyclohex-1-ene-1-carbonyl) derivative of coenzyme A. It derives from a coenzyme A. It is a conjugate acid of a 6-hydroxycyclohex-1-ene-1-carbonyl-CoA(4-).
The molecule CC(C)CCCCCCCOC(=O)C1=CC=CC=C1C(=O)O is a phthalic acid monoester obtained by formal condensation of one of the carboxy groups of phthalic acid with the hydroxy group of isodecanol. It has a role as a human xenobiotic metabolite, a bacterial xenobiotic metabolite and a rat metabolite.
The molecule CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCCCCCCCCCCCCCC[C@H](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)O is an unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (3R,21Z,24Z,27Z,30Z,33Z)-3-hydroxyhexatriacontapentaenoic acid. It is a (R)-3-hydroxyacyl-CoA, a 3-hydroxy fatty acyl-CoA, an unsaturated fatty acyl-CoA and an ultra-long-chain fatty acyl-CoA. It is a conjugate acid of a (3R,21Z,24Z,27Z,30Z,33Z)-3-hydroxyhexatriacontapentaenoyl-CoA(4-).
The molecule OC(=O)Cc1c(O)cccc1O OC(=O)Cc1c(O)cccc1O is A dihydroxyphenylacetic acid having the two hydroxy substituents located at the 2- and 6-positions. Its functional parent is acetic acid . It is a conjugate acid of (2,6-dihydroxyphenyl)acetate . It is also related to or classified as dihydroxyphenylacetic acid .
The molecule CCCCCCCCCCCC(=O)[O-] is a medium-chain fatty acid anion that is the conjugate base of dodecanoic acid (lauric acid); major species at pH 7.3. It has a role as a plant metabolite and a Saccharomyces cerevisiae metabolite. It is a straight-chain saturated fatty acid anion, a medium-chain fatty acid anion, a fatty acid anion 12:0 and an omega-methyl fatty acid anion. It is a conjugate base of a dodecanoic acid.