mingxuzhang/ChEBI-Augmented huggingface dataset:
The molecule <smiles>C[C@H](CC\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)N1C=NC2=C1N=CN=C2N)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O</smiles> is an acyl-CoA resulting from the formal condensation of the thiol group of coenzyme A with the carboxy group of ascr#7. Its functional parent is ascr#7. It is a conjugate acid of ascr#7-CoA(4-). It is also related to or classified as acyl-CoA .
The molecule <smiles>C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@]1(O)CC[C@@H]2O</smiles> is 14alpha,17beta-Dihydroxyandrost-4-en-3-one. It has the role of androgen. It is also related to or classified as 3-hydroxy steroid.
The molecule <smiles>CCCCC\C=C/C\C=C/C\C=C/CCCCC([O-])=O</smiles> is A linolenate that is the conjugate base of gamma-linolenic acid, arising from deprotonation of the carboxylic acid group. It has the role of human metabolite. It is also related to or classified as linolenate.
The molecule <smiles>N1(C2=C(C(NC=N2)=O)N=C1)[C@@H]3O[C@H](COP([O-])([O-])=O)[C@H]([C@H]3Cl)O</smiles> is major microspecies at pH 7.3. Its functional parent is 2'-deoxyinosine 5'-phosphate(2-). It is also related to or classified as organic molecular entity.
The molecule <smiles>C[C@H](CC\C=C\C(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O</smiles> is an (omega-1)-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (2E,6R)-6-hydroxyhept-2-enoic acid with ascarylopyranose (the alpha anomer). A metabolite of the nematode Caenorhabditis elegans, it is weakly dauer inducing and a weak male-attractant. It has the role of pheromone. It has the role of Caenorhabditis elegans metabolite. Its functional parent is (2E,6R)-6-hydroxyhept-2-enoic acid. It is a conjugate acid of ascr#7(1-). It is also related to or classified as alpha,beta-unsaturated monocarboxylic acid, (omega-1)-hydroxy fatty acid ascaroside.
The molecule <smiles>COC(=O)CCC1=CC=C(O)C=C1</smiles> is A methyl ester resulting from the formal condensation of the carboxy group of phloretic acid with methanol. It is a nitrification inhibitor and a plant growth regulator. It has the role of nitrification inhibitor. It has the role of plant growth regulator. Its functional parent is phloretic acid. It is also related to or classified as methyl ester . It is also related to or classified as phenols .
The molecule <smiles>[I+]</smiles> is iodine(1+). It is also related to or classified as monoatomic monocation . It is also related to or classified as monoatomic iodine.
The molecule <smiles>O1C2C34C(C(C5=C2C(=O)C6(OC6C5=O)C(O)C=C(C)C)C1C)C(OC=C3C(=O)C7(OC7C4=O)C(O)C=C(C)C)C</smiles> is 6,18-Bis(1-hydroxy-3-methylbut-2-enyl)-11,22-dimethyl-5,10,17,21-tetraoxaheptacyclo[11.7.2.02,8.02,12.04,6.014,20.016,18]docosa-8,14(20)-diene-3,7,15,19-tetrone. It is also related to or classified as organic heterotricyclic compound, organooxygen compound.
The molecule <smiles>C[C@H](CC/C=C/C([O-])=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O</smiles> is conjugate base of ascr#7. It is also related to or classified as organic molecular entity.
The molecule <smiles>S([O-])(=O)(=O)C=1C(=C(C=CC1)C)C</smiles> is Xylenesulfonate. It is also related to or classified as organosulfur compound, sulfonic acid derivative.
The molecule <smiles>[O-]Cl=O</smiles> is chlorite. It is also related to or classified as chlorine oxoanion, monovalent inorganic anion.
The molecule <smiles>N[C]=O</smiles> is carbamoyl. Its functional parent is formamide. It is also related to or classified as organic radical.
The molecule <smiles>OC12C(C3C(OC=4OC(CC(=O)C4C3)C)(CC1)C)(C(=O)CCC2(C)C)C</smiles> is 7-Hydroxy-2,6,6,10,14-pentamethyl-11,13-dioxatetracyclo[8.8.0.02,7.012,17]octadec-12(17)-ene-3,16-dione. It is also related to or classified as organic heterotricyclic compound, organooxygen compound.
The molecule <smiles>O1[C@](CC(=O)C2=C1C(O)=C(OC)C=C2O)(C=3C(O)=CC=CC3)[H]</smiles> is (2R)-5,8-Dihydroxy-2-(2-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one. It is also related to or classified as ether . It is also related to or classified as flavonoids.
The molecule <smiles>C[C@@H]1O[C@@H](OCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP([O-])([O-])=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O</smiles> is conjugate base of ascr#5-CoA. It is also related to or classified as organic molecular entity.
The molecule <smiles>O[C@@H](C(O)=O)c1ccccc1</smiles> is the (R)-enantiomer of mandelic acid. It has the role of human xenobiotic metabolite. It is a conjugate acid of (R)-mandelate. It is also related to or classified as mandelic acid .
The molecule <smiles>O(C1OC=C(C2(O)C1C(=CC2)CO)C(OC)=O)C3OC(C(O)C(O)C3O)CO</smiles> is Methyl 4a-hydroxy-7-(hydroxymethyl)-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylate. It is also related to or classified as glycoside . It is also related to or classified as iridoid monoterpenoid.
The molecule <smiles>C[C@@H]1O[C@@H](OCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O</smiles> is coA ester of ascr#5. It is also related to or classified as organic molecular entity.
The molecule <smiles>[43Ca]</smiles> is A minor stable isotope of calcium with relative atomic mass 42.95877 and 0.135 atom percent natural abundance. It is also related to or classified as calcium atom .
The molecule <smiles>[C@@]12([C@H](C)O1)C(O[C@H]3C(C(=CCN(CC3)C)COC([C@]([C@@H](C2)C)(C)O)=O)=O)=O</smiles> is A pyrrolizine alkaloid that is produced by several Jacobaea and Senecio species. It has the role of Jacobaea metabolite.  It is also related to or classified as tertiary alcohol .   It is also related to or classified as enone . It is also related to or classified as spiro-epoxide, pyrrolizine alkaloid, tertiary amino compound, macrocyclic lactone, organic heterobicyclic compound.
The molecule <smiles>O(C1C2(C(C3(C(C(C(OC(=O)C)CC3)(C)C)C1)C)CCC4(C2=CC(OC4C=5C=COC5)=O)C)C)C(=O)C</smiles> is [5-Acetyloxy-1-(furan-3-yl)-4b,7,7,10a,12a-pentamethyl-3-oxo-1,5,6,6a,8,9,10,10b,11,12-decahydronaphtho[2,1-f]isochromen-8-yl] acetate. It is also related to or classified as organic heterotricyclic compound, organooxygen compound.
The molecule <smiles>C[C@@H]1O[C@@H](OCCC(O)=O)[C@H](O)C[C@H]1O</smiles> is an omega-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of 3-hydroxypropanoic acid with ascarylopyranose (the alpha anomer). A major component of the dauer pheromone of the nematode Caenorhabditis elegans, it synergises with ascr#2 and ascr#3 as a population-density signal to promote entry into an alternate larval stage, the nonfeeding and highly persistent dauer diapause. It has the role of pheromone. It has the role of Caenorhabditis elegans metabolite. Its functional parent is 3-hydroxypropionic acid. It is a conjugate acid of ascr#5(1-). It is also related to or classified as monocarboxylic acid, omega-hydroxy fatty acid ascaroside.
The molecule <smiles>C1([C@@H](NC([C@@H](N1)CCCNC(N)=[NH2+])=O)CCC([O-])=O)=O</smiles> is major microspecies at pH 7.3.  It is also related to or classified as guanidinium ion . It is also related to or classified as 2,5-diketopiperazines . It is also related to or classified as dipeptide zwitterion . It is also related to or classified as alpha-amino-acid cation.
The molecule <smiles>C[C@@H]1O[C@@H](OCCC([O-])=O)[C@H](O)C[C@H]1O</smiles> is conjugate base of ascr#5. It is also related to or classified as organic molecular entity.
The molecule <smiles>C/1(\C[C@]2(O[C@]2(C(=O)OCC3=CC[N+]4(CC[C@@H](OC1=O)[C@@]34[H])[O-])C)COC(=O)C)=C/C</smiles> is A pyrrolizine alkaloid that is erucifoline in which the primary hydroxy hydrogen has been replaced by an acetyl group and the tertiary amino function has been oxidised to the corresponding N-oxide. It has the role of Jacobaea metabolite. Its functional parent is erucifoline. It is also related to or classified as tertiary amine oxide . It is also related to or classified as epoxide .   It is also related to or classified as acetate ester . It is also related to or classified as organic heteropentacyclic compound, pyrrolizine alkaloid, macrocyclic lactone, olefinic compound.
The molecule <smiles>[Na+].[Na+].OCCN(CC([O-])=O)CC([O-])=O</smiles> is Glycine, N-(carboxymethyl)-N-(2-hydroxyethyl)-, disodium salt. It is also related to or classified as alpha-amino acid .
The molecule <smiles>C[C@H](CCCC\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)N1C=NC2=C1N=CN=C2N)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O</smiles> is an acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate OH groups of ascr#3-CoA; major species at pH 7.3. It is also related to or classified as acyl-CoA(4-) .
The molecule <smiles>C1(=CNC2=C1C=CC=C2)C[C@@H](C(=O)[H])[NH3+]</smiles> is major species at pH 7.3. It is also related to or classified as primary ammonium ion .
The molecule <smiles>[O-]C(=O)C1=CC(=CC=C1)[N+]([O-])=O</smiles> is A nitrobenzoate that is conjugate base of 3-nitrobenzoic acid resulting from the deprotonation of the carboxy group; Major species at pH 7.3. It is also related to or classified as nitrobenzoate.
The molecule <smiles>[H][C@@]12C[C@]3([H])\C(=C/C[C@@]4([H])[C@H](CC[C@]4(C)C[C@]3([H])[C@@]1(O)CO)C(C)C)C(=O)O2</smiles> is A tetracyclic diterpenoid with formula C20H30O4. It is a nitrification inhibitor isolated from root exudates of Brachiaria humidicola. 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 delta-lactone . It is also related to or classified as tertiary alcohol . It is also related to or classified as tetracyclic diterpenoid.
The molecule <smiles>C/1(\C[C@]2(O[C@]2(C(=O)OCC3=CCN4CC[C@@H](OC1=O)[C@@]34[H])C)COC(=O)C)=C/C</smiles> is A pyrrolizine alkaloid that is erucifoline in which the primary hydroxy hydrogen has been replaced by an acetyl group. It has the role of Jacobaea metabolite. Its functional parent is erucifoline. It is also related to or classified as epoxide .   It is also related to or classified as acetate ester . It is also related to or classified as organic heteropentacyclic compound, pyrrolizine alkaloid, tertiary amino compound, macrocyclic lactone, olefinic compound.
The molecule <smiles>OC12C3N(CC4(C(C3(C5C6C1(O)CC(OC)C(C5)C6OC)C(OC)CC4)C2OC)COC(=O)C=7C(N8C(=O)C(CC8=O)C)=CC=CC7)CC</smiles> is Methyllycaconitine Perchlorate, Delphinium sp. Its functional parent is aconitane. It is also related to or classified as diterpene alkaloid.
The molecule <smiles>OC1C2(C3C(C4C(C(CC4)C(C5OC(=O)C(=C(C5)C)C)C)(CC3)C)CC=C2CC(OC6OC(C(O)C(O)C6O)COC7OC(C(O)C(O)C7O)CO)C1)C</smiles> is 2-[1-[1-hydroxy-10,13-dimethyl-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]-4,5-dimethyl-2,3-dihydropyran-6-one. It is also related to or classified as glycoside . It is also related to or classified as withanolide.
The molecule <smiles>C[C@H](CCCC\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)N1C=NC2=C1N=CN=C2N)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O</smiles> is an acyl-CoA resulting from the formal condensation of the thiol group of coenzyme A with the carboxy group of ascr#3. Its functional parent is ascr#3. It is a conjugate acid of ascr#3-CoA(4-). It is also related to or classified as acyl-CoA .
The molecule <smiles>[98Mo]</smiles> is A stable isotope of molybdenum with relative atomic mass 97.90541, 24.29 atom percent natural abundance and nuclear spin 0. It is also related to or classified as molybdenum atom .
The molecule <smiles>S1C(C2=CC(=CN=C2)C(O)=O)=CC=C1</smiles> is 5-(2-Thienyl)nicotinic acid. It is also related to or classified as pyridines, aromatic carboxylic acid.
The molecule <smiles>C/1(\C[C@]2(O[C@]2(C(=O)OCC3=CC[N+]4(CC[C@@H](OC1=O)[C@@]34[H])[O-])C)CO)=C/C</smiles> is A pyrrolizine alkaloid that is erucifoline 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 erucifoline. It is also related to or classified as tertiary amine oxide . It is also related to or classified as primary alcohol . It is also related to or classified as epoxide . It is also related to or classified as organic heteropentacyclic compound, pyrrolizine alkaloid, macrocyclic lactone, olefinic compound.
The molecule <smiles>[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])C[C@H](O)[C@]1(C)[C@H](CC[C@@]21[H])C(C)=O</smiles> is 12alpha-hydroxyprogesterone. Its functional parent is progesterone. It is also related to or classified as 12alpha-hydroxy steroid.
The molecule <smiles>C[C@H](CCCCCCCCCCCCCCCCCCC(=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</smiles> is conjugate base of ascr#38-CoA. It is also related to or classified as organic molecular entity.
The molecule <smiles>C[C@H]1CN(C(=O)CC#N)[C@]11CCN(C1)C1=C2C=CNC2=NC=N1</smiles> is A pyrrolopyrimidine that is 7H-pyrrolo[2,3-d]pyrimidine substituted by a (3S,4R)-1-(cyanoacetyl)-3-methyl-1,6-diazaspiro[3.4]octan-6-yl group at position 4. It is a pan-Janus kinase (JAK) inhibitor and is approved for treatment of atopic dermatitis (AD) in Japan. It has the role of anti-inflammatory drug. It has the role of antipsoriatic. It has the role of antiseborrheic. It has the role of EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor. It is also related to or classified as tertiary carboxamide . It is also related to or classified as nitrile . It is also related to or classified as azaspiro compound, pyrrolopyrimidine, N-acylazetidine, tertiary amino compound.
The molecule <smiles>C1OCC=2[C@@]3([C@H](OC/C(/C[C@H]([C@@H]1C)C)=C(/[H])\C)CCN3CC2)[H]</smiles> is senecionan. It is also related to or classified as alkaloid fundamental parent, pyrrolizine alkaloid.
The molecule <smiles>C[C@H](CCCCCCCCCCCCCCCCCCC(=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</smiles> is coA ester of ascr#38. It is also related to or classified as organic molecular entity.
The molecule <smiles>OC1=CC=CC2=CC=CC(O)=C12</smiles> is A member of the class of naphthalenediols that is naphthalene in which the hydrogens at positions 1 and 8 are replaced by hydroxy groups. It has the role of fungal metabolite. It is also related to or classified as naphthalenediol .
The molecule <smiles>[Ca+2].C(=O)([O-])[O-]</smiles> is A calcium salt with formula CCaO3. It has the role of fertilizer. It has the role of antacid. It has the role of food colouring. It has the role of food firming agent. It is also related to or classified as inorganic calcium salt, calcium salt, carbonate salt, one-carbon compound.
The molecule <smiles>[85Rb]</smiles> is A stable isotope of rubidium with relative atomic mass 84.91179, 72.17 atom percent natural abundance and nuclear spin 5/2. It is also related to or classified as rubidium atom .
The molecule <smiles>C/1(\C[C@]2(O[C@]2(C(=O)OCC3=CCN4CC[C@@H](OC1=O)[C@@]34[H])C)CO)=C/C</smiles> is A pyrrolizine alkaloid that is produced by several Jacobaea species and displays toxicity towards insect herbivores. It has the role of Jacobaea metabolite. It has the role of insecticide. Its functional parent is senecionan. It is also related to or classified as primary alcohol . It is also related to or classified as epoxide . It is also related to or classified as organic heteropentacyclic compound, pyrrolizine alkaloid, tertiary amino compound, macrocyclic lactone, olefinic compound.
The molecule <smiles>O1[C@@]2([C@@]3([C@@]([C@@]4([C@]5([C@]([C@@H](NC5=O)CC(C)C)([C@@H](C(=C4)C)C)[H])C(=O)C3)[H])([C@]1([C@H](O)CC2)[H])[H])[H])C</smiles> is (1S,2R,3R,6S,7R,8S,11S,14S,15S,18R)-18-hydroxy-5,6,15-trimethyl-8-(2-methylpropyl)-19-oxa-9-azapentacyclo[13.3.1.02,14.03,11.07,11]nonadec-4-ene-10,12-dione. It has the role of fungal metabolite. It is also related to or classified as cytochalasin.
The molecule <smiles>C(CCNCCCN)CN.Cl.Cl.Cl</smiles> is spermidine trihydrochloride. It has the role of EC 1.14.13.39 (nitric oxide synthase) inhibitor. Its functional parent is spermidine. It is also related to or classified as organic molecular entity.
The molecule <smiles>C[C@H](CCCCCCCCCCCCCCCCCCC(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O</smiles> 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 <smiles>[82Se]</smiles> 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 <smiles>C(=O)([C@@H]([NH3+])CC(C)C)N[C@H](C(=O)[O-])CC1=CC=CC=C1</smiles> 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 <smiles>C[C@H](CCCCCCCCCCCCCCCCCCC([O-])=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O</smiles> is conjugate base of ascr#38. It is also related to or classified as organic molecular entity.
The molecule <smiles>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</smiles> 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 <smiles>CN(C)CCC\N=C(\C1=CC=C(C=C1)/C(/N)=N/CCCN(C)C)/N</smiles> is DB213. It has the role of antiviral agent. It is also related to or classified as organic molecular entity.
The molecule <smiles>C(=C/CCCCCCCC/C=C\CCC)\[C@@H](O)[C@@H](NC(CCCCCCCCCCCCCCCCC)=O)CO</smiles> 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 <smiles>C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1[C@@H](O)C[C@@H]2O</smiles> 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 <smiles>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</smiles> is conjugate base of ascr#37-CoA. It is also related to or classified as organic molecular entity.
The molecule <smiles>[88Sr]</smiles> 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 <smiles>S1CC=2C(C(=O)C1=CN(C)C)=CC=CC2</smiles> 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 <smiles>[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</smiles> 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 <smiles>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]</smiles> 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 <smiles>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</smiles> is coA ester of ascr#37. It is also related to or classified as organic molecular entity.
The molecule <smiles>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]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O[C@@H]9O[C@H](CO)[C@@H](O[C@@H]%10O[C@H](CO)[C@H](O)[C@H](O[C@@H]%11O[C@H](CO)[C@@H](O[C@@H]%12O[C@H](CO)[C@H](O)[C@H](O)[C@H]%12O)[C@H](O)[C@H]%11NC(C)=O)[C@H]%10O)[C@H](O)[C@H]9NC(C)=O)[C@H]8O)[C@H](O)[C@H]7NC(C)=O)[C@H]6O)[C@H](O)[C@H]5NC(C)=O)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O[C@@H]9O[C@H](CO)[C@H](O)[C@H](O[C@@H]%10O[C@H](CO)[C@@H](O[C@@H]%11O[C@H](CO)[C@H](O)[C@H](O)[C@H]%11O)[C@H](O)[C@H]%10NC(C)=O)[C@H]9O)[C@H](O)[C@H]8NC(C)=O)[C@H]7O)[C@H](O)[C@H]6NC(C)=O)[C@H]5O)[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]5O[C@H](CO)[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O[C@@H]9O[C@H](CO)[C@H](O)[C@H](O[C@@H]%10O[C@H](CO)[C@@H](O[C@@H]%11O[C@H](CO)[C@H](O)[C@H](O)[C@H]%11O)[C@H](O)[C@H]%10NC(C)=O)[C@H]9O)[C@H](O)[C@H]8NC(C)=O)[C@H]7O)[C@H](O)[C@H]6NC(C)=O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O</smiles> is an amino oligosaccharide that is a triacontasaccharide derivative consisting of a trisaccharide of beta-D-Man and two beta-D-GlcNAc residues all linked in sequence (1->4), to the Man residue of which are linked a beta-D-Gal-(1-4)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-beta-D-GlcNAc-(1-2)-alpha-D-Man linear nonasaccharide group via a (1->3) linkage and a beta-D-Gal-(1-4)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-beta-D-GlcNAc-(1-2)-[beta-D-Gal-(1-4)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-beta-D-GlcNAc-(1-3)-beta-D-Gal-(1-4)-beta-D-GlcNAc-(1-6)]-alpha-D-Man branched heptadecasaccharide group via a (1->6) linkage, while to the beta-D-GlcNAc residue at the reducing end is linked (1->6) an alpha-L-Fuc residue. It is also related to or classified as glucosamine oligosaccharide, amino oligosaccharide.
The molecule <smiles>O(CCOC=1C(NC(=O)C)=CC=CC1)C=2C(NC(=O)C)=CC=CC2</smiles> 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.