anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C[C@H](CCCCCCCCCCCCCCCCCCC(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O C[C@H](CCCCCCCCCCCCCCCCCCC(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O is an (omega-1)-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (20R)-20-hydroxyhenicosanoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite . Its functional parent is (20R)-20-hydroxyhenicosanoic acid . It is a conjugate acid of ascr#38(1-) . It is also related to or classified as monocarboxylic acid , (omega-1)-hydroxy fatty acid ascaroside .
The molecule [82Se] [82Se] is A stable isotope of selenium with relative atomic mass 81.91670, 8.82 atom percent natural abundance and nuclear spin 0. It is also related to or classified as selenium atom  .
The molecule C(=O)([C@@H]([NH3+])CC(C)C)N[C@H](C(=O)[O-])CC1=CC=CC=C1 C(=O)([C@@H]([NH3+])CC(C)C)N[C@H](C(=O)[O-])CC1=CC=CC=C1 is an L-aminoacyl-L-amino acid zwitterion resulting from transfer of a proton from the carboxy to the amino group of L-leucyl-L-phenylalanine; major species at pH 7.3. It is also related to or classified as L-aminoacyl-L-amino acid zwitterion  .
The molecule C[C@H](CCCCCCCCCCCCCCCCCCC([O-])=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O C[C@H](CCCCCCCCCCCCCCCCCCC([O-])=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O is conjugate base of ascr#38. It is also related to or classified as organic molecular entity .
The molecule CCCCCCCC(O)CC(=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 CCCCCCCC(O)CC(=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 3-hydroxy-fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3-hydroxydecanoic acid. It is a conjugate acid of 3-hydroxydecanoyl-CoA(4-) . It is also related to or classified as 3-hydroxy fatty acyl-CoA  . It is also related to or classified as medium-chain fatty acyl-CoA .
The molecule CN(C)CCC\N=C(\C1=CC=C(C=C1)/C(/N)=N/CCCN(C)C)/N CN(C)CCC\N=C(\C1=CC=C(C=C1)/C(/N)=N/CCCN(C)C)/N is DB213. It has the role of antiviral agent . It is also related to or classified as organic molecular entity .
The molecule C(=C/CCCCCCCC/C=C\CCC)\[C@@H](O)[C@@H](NC(CCCCCCCCCCCCCCCCC)=O)CO C(=C/CCCCCCCC/C=C\CCC)\[C@@H](O)[C@@H](NC(CCCCCCCCCCCCCCCCC)=O)CO is A N-acyl-(4E,14Z)-sphingadienine in which the N-acyl group is specified as octadecanoyl. It has the role of Caenorhabditis elegans metabolite . Its functional parent is octadecanoic acid . It is also related to or classified as N-acyl-(4E,14Z)-sphingadienine  . It is also related to or classified as N-stearoyl-sphingoid base  .
The molecule C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1[C@@H](O)C[C@@H]2O C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1[C@@H](O)C[C@@H]2O is an androstanoid that is testosterone substituted by a alpha-hydroxy group at position 15. A natural product found in Daphnia magna exposed to the biocide tributyltin. It has the role of androgen . It has the role of Daphnia magna metabolite . Its functional parent is testosterone . It is also related to or classified as 17beta-hydroxy steroid  . It is also related to or classified as 3-oxo-Delta(4) steroid  .  It is also related to or classified as 15alpha-hydroxy steroid  . It is also related to or classified as androstanoid .
The molecule C[C@H](CCCCCCCCCCCCCCCC/C=C/C(=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)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O C[C@H](CCCCCCCCCCCCCCCC/C=C/C(=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)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O is conjugate base of ascr#37-CoA. It is also related to or classified as organic molecular entity .
The molecule [88Sr] [88Sr] is A major stable isotope of strontium with relative atomic mass 87.90561 and 82.58 atom percent natural abundance. It is also related to or classified as strontium atom  .
The molecule S1CC=2C(C(=O)C1=CN(C)C)=CC=CC2 S1CC=2C(C(=O)C1=CN(C)C)=CC=CC2 is 3-[(dimethylamino)methylene]-1H-2-benzothiopyran-4(3H)-one. It is also related to or classified as organic heterobicyclic compound , organosulfur heterocyclic compound .
The molecule [C@@]1([C@@H](C)Cl)(O)C(O[C@H]2[C@@]3(N(CC=C3COC([C@](C(C1)=C)(C)O)=O)CC2)[H])=O [C@@]1([C@@H](C)Cl)(O)C(O[C@H]2[C@@]3(N(CC=C3COC([C@](C(C1)=C)(C)O)=O)CC2)[H])=O is A pyrrolizine alkaloid that is jacoline in which the secondary hydroxy group has been replaced by a chlorine and the 5-methyl group has been replaced by methylene. It has the role of Jacobaea metabolite . Its functional parent is jacoline . It is also related to or classified as diol  .  It is also related to or classified as organochlorine compound  . It is also related to or classified as organic heterotricyclic compound , pyrrolizine alkaloid , tertiary amino compound , macrocyclic lactone .
The molecule FC1=C(C2=C3N(C(C(C2([H])[H])([H])[H])(C([H])([H])[H])[H])C(O[H])=C(C(=O)C3=C1[H])C(=O)N(C(C=4OC(=C(C4[H])[H])[H])([H])[H])[H])[H] FC1=C(C2=C3N(C(C(C2([H])[H])([H])[H])(C([H])([H])[H])[H])C(O[H])=C(C(=O)C3=C1[H])C(=O)N(C(C=4OC(=C(C4[H])[H])[H])([H])[H])[H])[H] is cID 661578 targets MAP kinase-interacting serine/threonine kinase 2 (MNK2). CID 661578 increases protein synthesis and regeneration by preventing MNK2 from binding EIF4G in the translation initiation complex at the mRNA cap. It is also related to or classified as organic molecular entity .
The molecule C[C@H](CCCCCCCCCCCCCCCC/C=C/C(=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)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O C[C@H](CCCCCCCCCCCCCCCC/C=C/C(=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)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O is coA ester of ascr#37. It is also related to or classified as organic molecular entity .
The molecule O(CCOC=1C(NC(=O)C)=CC=CC1)C=2C(NC(=O)C)=CC=CC2 O(CCOC=1C(NC(=O)C)=CC=CC1)C=2C(NC(=O)C)=CC=CC2 is N1-(2-{2-[2-(acetylamino)phenoxy]ethoxy}phenyl)acetamide. It is also related to or classified as anilide  . It is also related to or classified as acetamides .
The molecule [C@@]12([C@H](C)O1)C(O[C@H]3[C@@]4([N+](CC=C4COC([C@](C(C2)=C)(C)O)=O)(CC3)[O-])[H])=O [C@@]12([C@H](C)O1)C(O[C@H]3[C@@]4([N+](CC=C4COC([C@](C(C2)=C)(C)O)=O)(CC3)[O-])[H])=O is A pyrrolizine alkaloid that is jacozine in which the tertiary amino function has been oxidised to the corresponding N-oxide. It has the role of Jacobaea metabolite . Its functional parent is jacozine .  It is also related to or classified as tertiary amine oxide  . It is also related to or classified as tertiary alcohol  . It is also related to or classified as spiro-epoxide , organic heterotricyclic compound , pyrrolizine alkaloid , macrocyclic lactone .
The molecule SCC(NC(=O)CC[C@H]([C@@]1([C@@]2([C@]([C@]3([C@@]([C@@]4([C@](C[C@H]3O)(C[C@H](O)CC4)[H])C)(CC2)[H])[H])(CC1)[H])C)[H])C)C(O)=O SCC(NC(=O)CC[C@H]([C@@]1([C@@]2([C@]([C@]3([C@@]([C@@]4([C@](C[C@H]3O)(C[C@H](O)CC4)[H])C)(CC2)[H])[H])(CC1)[H])C)[H])C)C(O)=O is Cysteine conjugated chenodeoxycholic acid. It is also related to or classified as bile acid glycine conjugate .
The molecule C(N[C@H](C([O-])=O)CC1=CC=CC=C1)([C@@H](NC([H])=O)CCSC)=O C(N[C@H](C([O-])=O)CC1=CC=CC=C1)([C@@H](NC([H])=O)CCSC)=O is A peptide anion obtained by deprotonation of the carboxy group of N-formyl-L-methionyl-L-phenylalanine; major species at pH 7.3. It is also related to or classified as peptide anion .
The molecule OC(=O)C(=O)Cc1cc(Br)c(O)c(Br)c1 OC(=O)C(=O)Cc1cc(Br)c(O)c(Br)c1 is A 2-oxo monocarboxylic acid that is pyruvic acid in which one of the methyl hydrogens is substituted by a 3,5-dibromo-4-hydroxyphenyl group. Its functional parent is 2,6-dibromophenol . Its functional parent is pyruvic acid . It is also related to or classified as phenols  . It is also related to or classified as 2-oxo monocarboxylic acid  . It is also related to or classified as organobromine compound  .
The molecule C1(=O)NC(=NC2=C1N=CN2[C@@H]3O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]3Cl)N C1(=O)NC(=NC2=C1N=CN2[C@@H]3O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]3Cl)N is major microspecies at pH 7.3. Its functional parent is 2'-deoxyguanosine 5'-monophosphate(2-) . It is also related to or classified as organochlorine compound  .
The molecule [C@@]12([C@H](C)O1)C(O[C@H]3[C@@]4(N(CC=C4COC([C@](C(C2)=C)(C)O)=O)CC3)[H])=O [C@@]12([C@H](C)O1)C(O[C@H]3[C@@]4(N(CC=C4COC([C@](C(C2)=C)(C)O)=O)CC3)[H])=O is A pyrrolizine alkaloid that is seneciphylline in which the exocyclic double bond has been converted to the corresponding epoxide. It has the role of Jacobaea metabolite . Its functional parent is seneciphylline .  It is also related to or classified as tertiary alcohol  . It is also related to or classified as spiro-epoxide , organic heterotricyclic compound , pyrrolizine alkaloid , tertiary amino compound , macrocyclic lactone .
The molecule C[C@H](CCCCCCCCCCCCCCCC\C=C\C(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O C[C@H](CCCCCCCCCCCCCCCC\C=C\C(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O is an (omega-1)-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (2E,20R)-20-hydroxyhenicos-2-enoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite . Its functional parent is (2E,20R)-20-hydroxyhenicos-2-enoic acid . It is a conjugate acid of ascr#37(1-) . It is also related to or classified as alpha,beta-unsaturated monocarboxylic acid , (omega-1)-hydroxy fatty acid ascaroside .
The molecule CCCCC\C=C\C=C1/[C@@H](C\C=C/CCCC(O)=O)C=CC1=O CCCCC\C=C\C=C1/[C@@H](C\C=C/CCCC(O)=O)C=CC1=O is A prostaglandin J derivative comprising prostaglandin J2 lacking the 15-hydroxy group and having C=C double bonds at the 12- and 14-positions. It has the role of metabolite . It has the role of insulin-sensitizing drug . It has the role of electrophilic reagent . Its functional parent is prostaglandin J2 . It is a conjugate acid of 15-deoxy-Delta(12,14)-prostaglandin J2(1-) . It is also related to or classified as prostaglandins J  .
The molecule [H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)c1ccccc1)C(=O)OC)[NH+]2C [H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)c1ccccc1)C(=O)OC)[NH+]2C is the conjugate base of cocaine arising from protonation of the tertiary amino group; major species at pH 7.3. It has the role of human metabolite . It is a conjugate acid of cocaine . It is also related to or classified as ammonium ion derivative , tropane alkaloid .
The molecule [H][C@@]1(CC[C@@]2(O)[C@]1(C)CC[C@]1([H])[C@@]3(C)CC[C@H](O)C=C3[C@@H](C[C@@]21O)OC(C)=O)c1ccc(=O)oc1 [H][C@@]1(CC[C@@]2(O)[C@]1(C)CC[C@]1([H])[C@@]3(C)CC[C@H](O)C=C3[C@@H](C[C@@]21O)OC(C)=O)c1ccc(=O)oc1 is A steroid lactone that is bufanolide bearing hydroxy substituents at the 3beta-, 8- and 14beta-positions, a 6beta-acetoxy group and an aromatised pyrone in place of the tetrahydropyrone moiety at the 17-position. Its functional parent is bufanolide . It is also related to or classified as 8-hydroxy steroid , steroid lactone .
The molecule [C@@]1([C@@H](C)Cl)(O)C(O[C@H]2[C@@]3([N+](CC=C3COC([C@]([C@@H](C1)C)(C)O)=O)(CC2)[O-])[H])=O [C@@]1([C@@H](C)Cl)(O)C(O[C@H]2[C@@]3([N+](CC=C3COC([C@]([C@@H](C1)C)(C)O)=O)(CC2)[O-])[H])=O is A pyrrolizine alkaloid that is jaconine in which the tertiary amino function has been oxidised to the corresponding N-oxide. It has the role of Jacobaea metabolite . Its functional parent is jaconine . It is also related to or classified as tertiary amine oxide  . It is also related to or classified as diol  .  It is also related to or classified as organochlorine compound  . It is also related to or classified as organic heterotricyclic compound , pyrrolizine alkaloid , macrocyclic lactone .
The molecule C[C@H](O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O C[C@H](O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O is A HETE having a (19S)-hydroxy group and all-cis double bonds at positions 5, 8, 11 and 14. It has the role of mouse metabolite . Its functional parent is arachidonic acid . Its functional parent is icosa-5,8,11,14-tetraenoic acid . It is also related to or classified as HETE .
The molecule C[C@H](CCCCCCCCCCCCCCCC/C=C/C([O-])=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O C[C@H](CCCCCCCCCCCCCCCC/C=C/C([O-])=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O is conjugate base of ascr#37. It is also related to or classified as organic molecular entity .
The molecule [C@@]1([C@@H](C)Cl)(O)C(O[C@H]2[C@@]3(N(CC=C3COC([C@]([C@@H](C1)C)(C)O)=O)CC2)[H])=O [C@@]1([C@@H](C)Cl)(O)C(O[C@H]2[C@@]3(N(CC=C3COC([C@]([C@@H](C1)C)(C)O)=O)CC2)[H])=O is A pyrrolizine alkaloid that is jacoline in which the secondary hydroxy group has been replaced by a chlorine. It has the role of Jacobaea metabolite . Its functional parent is jacoline . It is also related to or classified as diol  .  It is also related to or classified as organochlorine compound  . It is also related to or classified as organic heterotricyclic compound , pyrrolizine alkaloid , tertiary amino compound , macrocyclic lactone .
The molecule O[C@H]1[C@]2([C@]3([C@@]([C@](CC3)([C@@H](CCC(=O)NC(CO)C(O)=O)C)[H])(CC[C@@]2([C@@]4([C@](C1)(C[C@H](O)CC4)[H])C)[H])C)[H])[H] O[C@H]1[C@]2([C@]3([C@@]([C@](CC3)([C@@H](CCC(=O)NC(CO)C(O)=O)C)[H])(CC[C@@]2([C@@]4([C@](C1)(C[C@H](O)CC4)[H])C)[H])C)[H])[H] is Serine conjugated chenodeoxycholic acid. It is also related to or classified as bile acid glycine conjugate .
The molecule C[C@H](CCCCCCCCCCCCCCCCCC(=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)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O C[C@H](CCCCCCCCCCCCCCCCCC(=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)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O is conjugate base of ascr#36-CoA. It is also related to or classified as organic molecular entity .
The molecule O=C1NC(C(=O)NC1CC=2C=3C(NC2)=CC=CC3)C O=C1NC(C(=O)NC1CC=2C=3C(NC2)=CC=CC3)C is 3-(1H-Indol-3-ylmethyl)-6-methyl-2,5-piperazinedione. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule [66Zn] [66Zn] is A stable isotope of zinc with relative atomic mass 65.92603, 27.7 atom percent natural abundance and nuclear spin 0. It is also related to or classified as zinc atom  .
The molecule CC(O)CCCCCCCCO CC(O)CCCCCCCCO is A diol that is decane substituted by hydroxy groups at position 1 and 9. It is a natural product found in rice root exudates and acts as an effective biological nitrification inhibitor for soil ammonia-oxidizing bacteria and archaea. It has the role of nitrification inhibitor . It has the role of plant metabolite . It is also related to or classified as primary alcohol  . It is also related to or classified as diol  . It is also related to or classified as aliphatic alcohol  . It is also related to or classified as secondary alcohol  .
The molecule [C@@]1([C@@H](C)O)(O)C(O[C@H]2[C@@]3([N+](CC=C3COC([C@]([C@@H](C1)C)(C)O)=O)(CC2)[O-])[H])=O [C@@]1([C@@H](C)O)(O)C(O[C@H]2[C@@]3([N+](CC=C3COC([C@]([C@@H](C1)C)(C)O)=O)(CC2)[O-])[H])=O is A pyrrolizine alkaloid that is jacoline in which the tertiary amino function has been oxidised to the corresponding N-oxide. It has the role of Jacobaea metabolite . Its functional parent is jacoline . It is also related to or classified as tertiary amine oxide  . It is also related to or classified as organic heterotricyclic compound , triol , pyrrolizine alkaloid , macrocyclic lactone .
The molecule C[C@H](CCCCCCCCCCCCCCCCCC(=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)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O C[C@H](CCCCCCCCCCCCCCCCCC(=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)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O is coA ester of ascr#36. It is also related to or classified as organic molecular entity .
The molecule O=C(NCCCCCC(=O)NC=1C=CC=CC1N)C2=CC=C(C=C2)C O=C(NCCCCCC(=O)NC=1C=CC=CC1N)C2=CC=C(C=C2)C is RG-2833. It has the role of EC 3.5.1.98 (histone deacetylase) inhibitor . It is also related to or classified as organic molecular entity .
The molecule C=1(/C=C/2\NC(=O)C(=C2C=C)C)NC(=C(C1C)CCC(O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)[O-])O)O)O)=O)CC=4NC(/C=C/5\NC(C(=C5C)C=C)=O)=C(C4CCC(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)[O-])O)O)O)C C=1(/C=C/2\NC(=O)C(=C2C=C)C)NC(=C(C1C)CCC(O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)[O-])O)O)O)=O)CC=4NC(/C=C/5\NC(C(=C5C)C=C)=O)=C(C4CCC(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)[O-])O)O)O)C is 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 carbohydrate acid derivative anion .
The molecule [60Ni] [60Ni] is A stable isotope of nickel with relative atomic mass 59.93079, 26.223 atom percent natural abundance and nuclear spin 0. It is also related to or classified as nickel atom  .
The molecule CC1(C)C=CC2=CC3=C(C=C2O1)OC4C=5C=CC(=CC5OCC34O)O CC1(C)C=CC2=CC3=C(C=C2O1)OC4C=5C=CC(=CC5OCC34O)O is tuberosin. It is also related to or classified as flavonoid  . It is also related to or classified as pterocarpan  .
The molecule C[C@H](CCCCCCCCCCCCCCCCCC(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O C[C@H](CCCCCCCCCCCCCCCCCC(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O is an (omega-1)-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (19R)-19-hydroxyicosanoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite . Its functional parent is (19R)-19-hydroxyicosanoic acid . It is a conjugate acid of ascr#36(1-) . It is also related to or classified as monocarboxylic acid , (omega-1)-hydroxy fatty acid ascaroside .
The molecule C1CN1P1(=NP(=NP(=N1)(N1CC1)N1CC1)(N1CC1)N1CC1)N1CC1 C1CN1P1(=NP(=NP(=N1)(N1CC1)N1CC1)(N1CC1)N1CC1)N1CC1 is A member of the class of aziridines that is 1,3,5,2,4,6-triazatriphosphinine substituted by aziridin-1-yl groups at positions 2,2,4,4,6, and 6. It is an insect sterilant. It has the role of alkylating agent . It has the role of insect sterilant . Its functional parent is 1,3,5,2,4,6-triazatriphosphinine . It is also related to or classified as aziridines , ring assembly .
The molecule C[C@H]1O[C@@H](O)[C@H](NC(C)=O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[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]4O[C@H](CO)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5NC(C)=O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@@H](O)[C@H](O[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]4O[C@H](CO)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5NC(C)=O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@@H]2O)[C@H](O)[C@H]1NC(C)=O C[C@H]1O[C@@H](O)[C@H](NC(C)=O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[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]4O[C@H](CO)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5NC(C)=O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@@H](O)[C@H](O[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]4O[C@H](CO)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5NC(C)=O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@@H]2O)[C@H](O)[C@H]1NC(C)=O is an  oligosaccharide derivative consisting of a linear trisaccharide backbone of a beta-D-mannosyl residue, an N-acetyl-beta-D-glucosyl residue and (at the reducing end) an N-acetyl-beta-D-glucose residue, all linked through (1->4) glycosidic linkages, to the mannosyl residue of which are linked two separate N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->2)-alpha-D-mannosyl tetrasaccharide units via (1->3) and (1->6) glycosidic linkages. It is also related to or classified as glucosamine oligosaccharide , oligosaccharide derivative .
The molecule [H]\C(C)=C1/C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@]([H])(OC1=O)[C@@]23[H] [H]\C(C)=C1/C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@]([H])(OC1=O)[C@@]23[H] is A pyrrolizidine alkaloid isolated from the plant species of the genus Senecio. It has the role of plant metabolite . Its functional parent is senecionan . It is also related to or classified as lactone  . It is also related to or classified as tertiary alcohol  . It is also related to or classified as pyrrolizidine alkaloid .
The molecule O1C(C(O)C(O)C(O)C1OC=2C(C(=O)CCC3=CC=C(O)C=C3)=C(O)C=C(O)C2)CO O1C(C(O)C(O)C(O)C1OC=2C(C(=O)CCC3=CC=C(O)C=C3)=C(O)C=C(O)C2)CO is Phlorizine. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule [H]C1(CCC2([H])C3([H])C(O)CC4([H])CC(O)CCC4(C)C3([H])CC(O)C12C)C(C)CCCC(C)(O)CO [H]C1(CCC2([H])C3([H])C(O)CC4([H])CC(O)CCC4(C)C3([H])CC(O)C12C)C(C)CCCC(C)(O)CO is the 5alpha-stereoisomer of bufol. It has the role of animal metabolite . It is also related to or classified as bufol  .
The molecule C[C@H](CCCCCCCCCCCCCCCCCC([O-])=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O C[C@H](CCCCCCCCCCCCCCCCCC([O-])=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O is conjugate base of ascr#36. It is also related to or classified as organic molecular entity .
The molecule [C@@]1([C@@H](C)O)(O)C(O[C@H]2[C@@]3(N(CC=C3COC([C@]([C@@H](C1)C)(C)O)=O)CC2)[H])=O [C@@]1([C@@H](C)O)(O)C(O[C@H]2[C@@]3(N(CC=C3COC([C@]([C@@H](C1)C)(C)O)=O)CC2)[H])=O is A pyrrolizine alkaloid obtained from senecionine by formal addition of hydrogen peroxide across the ethylidene double bond. It has the role of Jacobaea metabolite . Its functional parent is senecionine . It is also related to or classified as organic heterotricyclic compound , triol , pyrrolizine alkaloid , tertiary amino compound , macrocyclic lactone .
The molecule C[C@H](CCCCCCCCCCCCCCC/C=C/C(=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)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O C[C@H](CCCCCCCCCCCCCCC/C=C/C(=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)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O is conjugate base of ascr#35-CoA. It is also related to or classified as organic molecular entity .
The molecule [H]C(CCCCC)=C([H])CCCCCCCC(O)=O [H]C(CCCCC)=C([H])CCCCCCCC(O)=O is A pentadecenoic acid having its double bond in the 9-position. It is also related to or classified as pentadecenoic acid .
The molecule CCCCCCCC\C=C/CCCCCC(=O)OC CCCCCCCC\C=C/CCCCCC(=O)OC is A fatty acid methyl ester resulting from the formal condensation of the carboxy group of (Z)-hexadec-7-enoic acid with methanol. It has the role of nitrification inhibitor . It has the role of plant metabolite . It has the role of fungal metabolite . It has the role of algal metabolite . Its functional parent is (Z)-hexadec-7-enoic acid . It is also related to or classified as fatty acid methyl ester  .
The molecule [C@@]12([C@H](C)O1)C(O[C@H]3[C@@]4([N+](CC=C4COC([C@]([C@@H](C2)C)(C)O)=O)(CC3)[O-])[H])=O [C@@]12([C@H](C)O1)C(O[C@H]3[C@@]4([N+](CC=C4COC([C@]([C@@H](C2)C)(C)O)=O)(CC3)[O-])[H])=O is A pyrrolizine alkaloid that is jacobine in which the tertiary amino function has been oxidised to the corresponding N-oxide. It has the role of Jacobaea metabolite . It has the role of insecticide . Its functional parent is jacobine .  It is also related to or classified as tertiary amine oxide  . It is also related to or classified as tertiary alcohol  . It is also related to or classified as spiro-epoxide , organic heterotricyclic compound , pyrrolizine alkaloid , macrocyclic lactone .