anonymous041/ChEBI-Augmented huggingface dataset:
The molecule O1[C@@H](O[C@H]2[C@H](OC=3C(C2)=C(O)C=C(O)C3)C4=CC=C(O)C=C4)C(O)C(O)[C@H](O)[C@H]1CO O1[C@@H](O[C@H]2[C@H](OC=3C(C2)=C(O)C=C(O)C3)C4=CC=C(O)C=C4)C(O)C(O)[C@H](O)[C@H]1CO is epiafzelechin 3-o-beta-d-allopyranoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule OC1C(O)C=2C=3C(C1O)=CC=CC3C=CC2C4=CC=C(OC)C=C4 OC1C(O)C=2C=3C(C1O)=CC=CC3C=CC2C4=CC=C(OC)C=C4 is 2,3-Dihydro-4-(4-methoxyphenyl)-1H-phenalene-1,2,3-triol. It is also related to or classified as benzenes , naphthalenes , ring assembly .
The molecule CC(O)CCO CC(O)CCO is A butanediol compound having two hydroxy groups in the 1- and 3-positions. It is also related to or classified as glycol  . It is also related to or classified as butanediol  .
The molecule N1C(=NC2=C(C1=O)C(=CN2[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C(N)=O)N N1C(=NC2=C(C1=O)C(=CN2[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C(N)=O)N is A 7-deazaguanosine ribonucleoside that has 7-carbamoyl-7-deazaguanine as the nucleobase. It is present in archaeal tRNA and has also been found in bacterial DNA. Its functional parent is 7-carboxy-7-deazaguanine . Its functional parent is archaeosine . It is also related to or classified as primary carboxamide  . It is also related to or classified as 7-deazaguanine ribonucleoside .
The molecule O=C1[C@@]23C(=O)N[C@H]([C@@H]2[C@H](C)C(=C[C@@H]3C=C(C[C@@H](CC([C@@H](C1)OC)=O)CO)C)C)CC(C)C O=C1[C@@]23C(=O)N[C@H]([C@@H]2[C@H](C)C(=C[C@@H]3C=C(C[C@@H](CC([C@@H](C1)OC)=O)CO)C)C)CC(C)C is 18-oxo-19-hydroxyl-19,20-dihydrophomacin C. It has the role of fungal metabolite . It is also related to or classified as cytochalasin .
The molecule CC(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(C)=C/C(O)=O CC(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(C)=C/C(O)=O is A retinoic acid in which all four exocyclic double bonds have E- (trans-) geometry. It has the role of antioxidant . It has the role of antineoplastic agent . It has the role of keratolytic drug . It has the role of signalling molecule . It has the role of retinoid X receptor agonist . It has the role of anti-inflammatory agent . It has the role of retinoic acid receptor agonist . It has the role of AP-1 antagonist . It has the role of human metabolite . It is a conjugate acid of all-trans-retinoate .  It is also related to or classified as retinoic acid  . It is also related to or classified as vitamin A .
The molecule C(=C\\C(=C(/C(=O)O)\\N)\\C(=O)O)\\C=O is the cis,cis-isomer of 2-amino-3-(3-oxoprop-1-enyl)but-2-enedioic acid. It has a role as a mouse metabolite. It is a conjugate acid of a cis,cis-2-amino-3-(3-oxoprop-1-enyl)but-2-enedioate.
The molecule C[C@@]12CC[C@@H]([C@H]1CC[C@H]3[C@]2(CC[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)[C@@]5(CC=CC(O5)(C)C)C is a tetracyclic triterpenoid (dammarane type) isolated from the stems of Aglaia abbreviata. It has a role as a plant metabolite. It is a cyclic terpene ketone, a tetracyclic triterpenoid and a member of pyrans.
The molecule CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@H](OS([O-])(=O)=O)[C@@H]1O[C@@H]1OC(=C[C@H](O)[C@H]1O)C([O-])=O CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@H](OS([O-])(=O)=O)[C@@H]1O[C@@H]1OC(=C[C@H](O)[C@H]1O)C([O-])=O is A carbohydrate acid derivative anion resulting from the removal of a proton from the carboxy and sulfate groups of 2-acetamido-2-deoxy-3-O-(4-deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-4-O-sulfo-beta-D-galactopyranose arising from deprotonation of carboxylic acid and sulfate functions. It is also related to or classified as 2-acetamido-2-deoxy-3-O-(4-deoxy-alpha-L-threo-hex-4-enopyranosyluronate)-4-O-sulfonato-D-galactopyranose(2-)  .
The molecule [H][C@@]12C[C@H](C)[C@](OC(=O)C(C)C)(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C [H][C@@]12C[C@H](C)[C@](OC(=O)C(C)C)(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C is betamethasone acibutate. Its functional parent is betamethasone . It is also related to or classified as 11beta-hydroxy steroid  .  It is also related to or classified as acetate ester  .   It is also related to or classified as 3-oxo-Delta(1),Delta(4)-steroid  . It is also related to or classified as 20-oxo steroid , steroid ester , fluorinated steroid .
The molecule C\C(CO)=C/CNc1ncnc2n(CC(N)C(O)=O)cnc12 C\C(CO)=C/CNc1ncnc2n(CC(N)C(O)=O)cnc12 is lupinic acid. It is also related to or classified as alanine derivative , purine alkaloid , non-proteinogenic alpha-amino acid .
The molecule CCC1=C2/C=C\\3/C(=C4C(=C(C5=N/C(=C\\C6=NC7(C(O7)C(=C1C)N2)C(=C6C)C=C)/[C@H]([C@@H]5CCC(=O)[O-])C)C(=C4O)C(=O)OC)N3)C is a cyclic tetrapyrrole anion that is the conjuagte base of epoxypheophorbide a. Major microspecies at pH 7.3 (according to Marvin v. 6.2.0). It is a conjugate base of an epoxypheophorbide a. It is a conjugate acid of an epoxypheophorbide a(2-).
The molecule O[C@H]1[C@H](O)[C@@H](O)C(=O)[C@H](O)[C@@H]1O O[C@H]1[C@H](O)[C@@H](O)C(=O)[C@H](O)[C@@H]1O is 2D-2,3,5/4,6-pentahydroxycyclohexanone. Its functional parent is 1D-chiro-inositol . It is also related to or classified as pentahydroxycyclohexanone .
The molecule O1C(C(O)C(O)C(O)C1OC=2C3=C(OC(=O)C=C3)C=CC2)CO O1C(C(O)C(O)C(O)C1OC=2C3=C(OC(=O)C=C3)C=CC2)CO is Mahaleboside.  It is also related to or classified as glycoside  . It is also related to or classified as coumarins .
The molecule CCC(C)=O CCC(C)=O is A dialkyl ketone that is a four-carbon ketone carrying a single keto- group at position C-2. It has the role of polar aprotic solvent . It has the role of bacterial metabolite .  It is also related to or classified as dialkyl ketone  . It is also related to or classified as volatile organic compound , butanone , methyl ketone .
The molecule O=C1[C@@]23C(=O)N[C@H]([C@@H]2[C@H](C)C(=C[C@@H]3C=C(C[C@@H](CC([C@H](C1)OC)=O)CO)C)C)CC(C)C O=C1[C@@]23C(=O)N[C@H]([C@@H]2[C@H](C)C(=C[C@@H]3C=C(C[C@@H](CC([C@H](C1)OC)=O)CO)C)C)CC(C)C is 18-oxo-19-methoxy-19,20-dihydrophomacin C. It has the role of fungal metabolite . It is also related to or classified as cytochalasin .
The molecule C1(C)(C)CC=CC(=C1\C=C\C(=C\C=C\C(=C\C(=O)O)\C)\C)C C1(C)(C)CC=CC(=C1\C=C\C(=C\C=C\C(=C\C(=O)O)\C)\C)C is A retinoid obtained by 3,4-desaturation of beta-ionone ring of all-trans-retinoic acid. It has the role of human xenobiotic metabolite . Its functional parent is all-trans-retinoic acid .  It is also related to or classified as retinoid  . It is also related to or classified as vitamin A .
The molecule CSCCCC[C@@H](C(=O)O)N(O)O is an N,N-dihydroxy-L-polyhomomethionine in which there are four methylene groups between the alpha-carbon and sulfur atoms. It is a N,N-dihydroxy-L-polyhomomethionine and a N,N-dihydroxydihomomethionine. It is a conjugate acid of a N,N-dihydroxy-L-dihomomethioninate.
The molecule C[C@@]12CC[C@@H]([C@H]1CC[C@H]3[C@]2(CC[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)[C@@]5(CCC(=O)O5)C is a tetracyclic triterpenoid isolated from the stems of Aglaia abbreviata. It has a role as a plant metabolite. It is a tetracyclic triterpenoid, a cyclic terpene ketone and a gamma-lactone.
The molecule [NH3+][C@@H](CCC(=O)N[C@@H](CSC(C=C)(C([O-])=O)C)C(=O)NCC(=O)[O-])C(=O)[O-] [NH3+][C@@H](CCC(=O)N[C@@H](CSC(C=C)(C([O-])=O)C)C(=O)NCC(=O)[O-])C(=O)[O-] is A peptide anion obtained by deprotonation of the the three carboxy groups and protonation of the amino group of S-(2-carboxy-2-methylbut-3-en-2-yl)-glutathione; major species at pH 7.3. It is also related to or classified as peptide anion .
The molecule OC1=C2C(N(C3=C(C2=O)C=CC=C3O)C)=CC(O)=C1CC=C(C)C OC1=C2C(N(C3=C(C2=O)C=CC=C3O)C)=CC(O)=C1CC=C(C)C is Junosine. Its functional parent is acridone . It is also related to or classified as acridines .
The molecule C1=CC=C2C(=C1)C(=CN2)CC(=O)NC(CCC(=O)N)C(=O)[O-] is a monocarboxylic acid anion that is the conjugate base of N-(indol-3-ylacetyl)glutamine, obtained by deprotonation of the carboxy group; major species at pH 7.3. It has a role as a human urinary metabolite. It is a conjugate base of a N-(indol-3-ylacetyl)glutamine.
The molecule O[C@@H]1[C@]2([C@]([C@]3([C@@]([C@H](CC3)C(O)CC(O)=O)(C1)C)[H])(CCC=4[C@@]2(CCC(=O)C4)C)[H])[H] O[C@@H]1[C@]2([C@]([C@]3([C@@]([C@H](CC3)C(O)CC(O)=O)(C1)C)[H])(CCC=4[C@@]2(CCC(=O)C4)C)[H])[H] is 11beta-Hydroxy-3,20-dioxopregn-4-en-21-oic acid. It has the role of androgen . It is also related to or classified as 3-hydroxy steroid .
The molecule [O-]C(=O)C1CC(=O)NC(=O)N1 [O-]C(=O)C1CC(=O)NC(=O)N1 is A monocarboxylic acid anion resulting from the removal of a proton from the carboxylic acid group of dihydroorotic acid. Its functional parent is orotate . It is also related to or classified as monocarboxylic acid anion  .
The molecule OCC(C(O)C)=O OCC(C(O)C)=O is A primary alpha-hydroxy ketone that is butan-2-one substituted by a hydroxy group at positions 1 and 3. Its functional parent is butan-2-one . Its functional parent is butane-1,3-diol . It is also related to or classified as primary alpha-hydroxy ketone  . It is also related to or classified as secondary alpha-hydroxy ketone  .
The molecule C(CCCCCCCC)CCC([O-])=O.[Na+] C(CCCCCCCC)CCC([O-])=O.[Na+] is an organic sodium salt resulting from the replacement of the proton from the carboxy group of dodecanoic acid by a sodium ion. It has the role of detergent . It is also related to or classified as organic sodium salt .
The molecule O=C1[C@@]23C(=O)N[C@H]([C@@H]2[C@H](C)C(=C[C@@H]3C=C(C[C@@H](CC(CC1)=O)CO)C)C)CC(C)C O=C1[C@@]23C(=O)N[C@H]([C@@H]2[C@H](C)C(=C[C@@H]3C=C(C[C@@H](CC(CC1)=O)CO)C)C)CC(C)C is 18-oxo-19,20-dihydrophomacin C. It has the role of fungal metabolite . It is also related to or classified as cytochalasin .
The molecule C1(/C(/NC([C@@H](N1)CCCNC(N)=[NH2+])=O)=C/C2=CC=C(C=C2)O)=O C1(/C(/NC([C@@H](N1)CCCNC(N)=[NH2+])=O)=C/C2=CC=C(C=C2)O)=O 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 alpha-amino-acid cation .
The molecule CCCCCCCC[C@H]1[C@H](O1)CCCCCCCC(=O)O is a 9,10-epoxyoctadecanoic acid in which the chiral centres at positions 9 and 10 have R- and S-configuration respectively. It is a conjugate acid of a (9R,10S)-9,10-epoxyoctadecanoate. It is an enantiomer of a (9S,10R)-epoxyoctadecanoic acid.
The molecule C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C4=NC=NC(=C4N=C3SCCCCCCN)N)O)OP(=O)(O1)O is a 3',5'-cyclic purine nucleotide that is 3',5'-cyclic AMP in which the hydrogen at position 2 on the purine fragment is replaced by a 6-aminohexylthio group. It is a 3',5'-cyclic purine nucleotide, an adenyl ribonucleotide, a primary amino compound and an aryl sulfide. It derives from a 3',5'-cyclic AMP.
The molecule C[NH2+]CC[C@H](C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F is an organic cation resulting from the protonation of the amino group of (R)-fluoxetine. It is an ammonium ion derivative and an organic cation. It is a conjugate acid of a (R)-fluoxetine. It is an enantiomer of a (S)-fluoxetine(1+).
The molecule [O-][N+](=O)OCCNC(=O)c1cccnc1 [O-][N+](=O)OCCNC(=O)c1cccnc1 is A pyrimidinecarboxamide that is nicotinamide in which one of the hydrogens attached to the carboxamide nitrogen is replaced by a 2-(nitrooxy)ethyl group. It has both nitrate-like and ATP-sensitive potassium channel activator properties, and is used for the prevention and treatment of angina pectoris. It has the role of vasodilator agent . It has the role of potassium channel opener . Its functional parent is nicotinamide . It is also related to or classified as pyridinecarboxamide , nitrate ester .
The molecule C[C@H](NC(=O)[C@@H]1CC(C(CS)N1O)c1ccc2OCOc2c1)C(O)=O C[C@H](NC(=O)[C@@H]1CC(C(CS)N1O)c1ccc2OCOc2c1)C(O)=O is A dipeptide consisting of a modified L-proline residue attached to L-alanine via a peptide linkage.  It is also related to or classified as dipeptide  . It is also related to or classified as benzodioxoles .
The molecule CC(C)C(C)CCC(C)C(C)C CC(C)C(C)CCC(C)C(C)C is an alkane that is octane substituted by a methyl group at positions 2,3,6 and 7. It has the role of plant metabolite . It has the role of fungal metabolite . It has the role of bacterial metabolite .  It is also related to or classified as alkane  . It is also related to or classified as volatile organic compound .
The molecule C1C(NCC1=O)C(=O)O is the 4-isomer of oxoproline. It has a role as a metabolite. It is a conjugate acid of a 4-oxoprolinate. It is a tautomer of a 4-oxoproline zwitterion.
The molecule O=C1OC(=O)C(=C1CCCCCCCCCCCCCCCC/C(/C(=O)O)=C(\C(=O)O)/CC(=O)O)C O=C1OC(=O)C(=C1CCCCCCCCCCCCCCCC/C(/C(=O)O)=C(\C(=O)O)/CC(=O)O)C is Skeletocutin H. Its functional parent is hexacarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule [H][C@@]12CC[C@@H]3C[C@]1(CC3=C)[C@@H](C(O)=O)[C@@]1([H])[C@@]2(C)CC[C@H](O)[C@@]1(C)C(O)=O [H][C@@]12CC[C@@H]3C[C@]1(CC3=C)[C@@H](C(O)=O)[C@@]1([H])[C@@]2(C)CC[C@H](O)[C@@]1(C)C(O)=O is A C20-gibberellin, initially identified in Gibberella fujikuroi. It differs from gibberellin A12 in the presence of a beta-OH at C-2 (gibbane numbering). It is a conjugate acid of gibberellin A14(2-) . It is also related to or classified as C20-gibberellin , dicarboxylic acid , gibberellin monocarboxylic acid .
The molecule CC[C@@H]1[C@@H]2C[C@@H](CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3[C@@H]1O)CC[C@@H]4[C@H](C)CCC(=O)O)C)C)O is a dihydroxy-5beta-cholanic acid that is chenodeoxycholic acid carrying an additional ethyl substituent at the 6alpha-position. A semi-synthetic bile acid which acts as a farnesoid X receptor agonist and is used for treatment of primary biliary cholangitis. It has a role as a farnesoid X receptor agonist and a hepatoprotective agent. It is a dihydroxy-5beta-cholanic acid, a 3alpha-hydroxy steroid and a 7alpha-hydroxy steroid. It derives from a chenodeoxycholic acid.
The molecule CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[C@H]2[C@@H]([C@H]([C@@H](O[C@@H]2C(=O)O)O)O)O)CO)O)O is an amino disaccharide consisting of 2-acetamido-2-deoxy-alpha-D-glucopyranose and-beta-D-glucopyranuronic acid residues joined in sequence by a (1->4) glycosidic bond. It is an amino disaccharide, a member of acetamides and a monocarboxylic acid. It derives from a beta-D-glucuronic acid and a N-acetyl-alpha-D-glucosamine.
The molecule Cc1c(oc2c(cccc2c1=O)C(=O)OCCN1CCCCC1)-c1ccccc1 Cc1c(oc2c(cccc2c1=O)C(=O)OCCN1CCCCC1)-c1ccccc1 is A carboxylic ester resulting from the formal condensation of 3-methylflavone-8-carboxylic acid with 2-(1-piperidinyl)ethanol. It has the role of muscarinic antagonist . It has the role of parasympatholytic . It has the role of antispasmodic drug . Its functional parent is 3-methylflavone-8-carboxylic acid . Its functional parent is 2-(piperidin-1-yl)ethanol . It is also related to or classified as flavones  .  It is also related to or classified as carboxylic ester  . It is also related to or classified as piperidines , tertiary amino compound .
The molecule C(CC(=O)N)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)O)N is a dipeptide obtained by formal condensation of the carboxy group of L-glutamine with the amino group of L-asparagine. It derives from a L-glutamine and a L-asparagine.
The molecule CC1=CC(=C2C(=C1)OC3(C2=O)C(=CC(=O)C=C3OC)C(=O)OC)O is an oxaspiro compound, a member of 1-benzofurans, a methyl ester and a cyclohexadiene. It has a role as an antimicrobial agent.
The molecule CC#N CC#N is A nitrile that is hydrogen cyanide in which the hydrogen has been replaced by a methyl group. It has the role of polar aprotic solvent . It has the role of EC 3.5.1.4 (amidase) inhibitor .  It is also related to or classified as aliphatic nitrile  . It is also related to or classified as volatile organic compound .
The molecule CC1=C(C(C(=C(N1)C#N)C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC(C)C CC1=C(C(C(=C(N1)C#N)C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC(C)C is Nilvadipine. It is also related to or classified as nitrile  . It is also related to or classified as methyl ester  . It is also related to or classified as isopropyl ester  . It is also related to or classified as dihydropyridine  .
The molecule Oc1ccc(cc1)-c1cc(=O)c2c(O)c(Oc3ccc(cc3)-c3cc(=O)c4c(O)cc(O)cc4o3)c(O)cc2o1 Oc1ccc(cc1)-c1cc(=O)c2c(O)c(Oc3ccc(cc3)-c3cc(=O)c4c(O)cc(O)cc4o3)c(O)cc2o1 is A biflavonoid that is apigenin substituted by a 4-(5,7-dihydroxy-4-oxo-4H-chromen-2-yl)phenoxy group at position 6. A diflavonyl ether, it is isolated from Rhus succedanea and has been found to possess significant cytotoxic potential. It has the role of metabolite . It has the role of antineoplastic agent . It has the role of neuroprotective agent . Its functional parent is apigenin . It is also related to or classified as hydroxyflavone , aromatic ether , biflavonoid .
The molecule CCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)N[C@@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1OC2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)O)[C@@H](C(CCCCCCCCCCCCCCCC)O)O)O is a mannosylated ceramide phosphoinositol compound having a hexacosanyl group attached to the ceramide nitrogen, hydroxylation at C-4 of the long chain base, and hydroxylation at C-2 of the very long chain fatty acid. It derives from an Ins-1-P-Cer(t18:0/2-OH-26:0).
The molecule [H][C@@]12C[C@H](C)CCC(=O)\C(C)=C\C[C@]1([H])C(=C)C(=O)O2 [H][C@@]12C[C@H](C)CCC(=O)\C(C)=C\C[C@]1([H])C(=C)C(=O)O2 is A sesquiterpene lactone with formula C15H20O3. It is a natural product isolated from the aerial parts of Inula viscosa, a widespread Mediterranean plant known for its content of pharmacologically active metabolites. It has herbicidal, antifungal and antiamoebic activity. It has the role of antiamoebic agent . It has the role of herbicide . It has the role of antifungal agent . It has the role of phytotoxin . It is also related to or classified as organic heterobicyclic compound , sesquiterpene lactone , cyclic ketone .
The molecule Cc1nnc2CN=C(c3ccccc3)c3cc(Cl)ccc3-n12 Cc1nnc2CN=C(c3ccccc3)c3cc(Cl)ccc3-n12 is A member of the class of triazolobenzodiazepines that is 4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine carrying methyl, phenyl and chloro substituents at positions 1, 6 and 8 respectively. Alprazolam is only found in individuals that have taken this drug. It has the role of anxiolytic drug . It has the role of anticonvulsant . It has the role of xenobiotic . It has the role of sedative . It has the role of muscle relaxant . It has the role of GABA agonist .  It is also related to or classified as organochlorine compound  . It is also related to or classified as triazolobenzodiazepine .
The molecule [C@]12(CC[C@@H]([C@@]([C@]1([C@@H]([C@]34[C@]2(CC[C@H](C3)C(C4)=C)[H])C(=O)[O-])[H])(C)C(=O)[O-])O)C [C@]12(CC[C@@H]([C@@]([C@]1([C@@H]([C@]34[C@]2(CC[C@H](C3)C(C4)=C)[H])C(=O)[O-])[H])(C)C(=O)[O-])O)C is A dicarboxylic acid anion obtained by deprotonation of both carboxy groups of gibberellin A14. It is also related to or classified as dicarboxylic acid dianion  . It is also related to or classified as gibberellin carboxylic acid anion .
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)C(=O)CCCN(C)C 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)C(=O)CCCN(C)C is 4-(dimethylamino)-N-[[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-16-(methanesulfonamido)-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C1CC1(NC(=O)CC[C@@H](C(=O)O)N)O is a non-proteinogenic L-alpha-amino acid that is L-glutamine in which one of the hydrogens attached to the amide nitrogen is replaced by a 1-hydroxycyclopropyl group. Found in the ink-cap mushroom, Coprinus atramentarius, it causes an unpleasant hypersensitivity to alcohol (the 'disulfiram effect'). It has a role as an EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor, a metabolite and a mycotoxin. It is a member of cyclopropanes, a dicarboxylic acid monoamide, a L-glutamine derivative and a non-proteinogenic L-alpha-amino acid.
The molecule [Mg++] [Mg++] is magnesium(2+). It has the role of geroprotector . It has the role of cofactor . It is also related to or classified as monoatomic dication  . It is also related to or classified as magnesium cation , divalent metal cation .
The molecule CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[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)CO)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O[C@@]5(C[C@@H]([C@H]([C@@H](O5)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)NC(=O)C)O)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O is a sialotetraosylceramide consisting of a linear pentasaccharide made up from one sialyl residues, two galactose residues, one N-acetylglucosamine residue and a glucose residue at the reducing end attached to N-stearoylsphingosine via a beta-linkage.
The molecule CCC1=C[NH+](CCC1)CCC2=C(NC3=CC=CC=C32)C(=C)C(=O)OC is a tertiary ammonium ion that is the conjugate acid of secodine, obtained by protonation of the nitrogen atom of the tetrahydropyridine moiety. The major microspecies at pH 7.3. It is a conjugate acid of a secodine.
The molecule OC[C@H]1O[C@@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)O[C@@H]3CO)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O OC[C@H]1O[C@@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)O[C@@H]3CO)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O is A linear trisaccharide comprising two beta-D-galactosyl residues and (at the reducing end) a beta-D glucose linked in sequence (1->3) and (1->4).  It is also related to or classified as oligosaccharide  . It is also related to or classified as trisaccharide .
The molecule O=C1OC(=O)C(=C1CCCCCCCCCCCCCC/C(/C(=O)O)=C(\C(=O)OC)/CC(=O)O)C O=C1OC(=O)C(=C1CCCCCCCCCCCCCC/C(/C(=O)O)=C(\C(=O)OC)/CC(=O)O)C is Skeletocutin G. Its functional parent is hexacarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule [N+](NCCC([O-])=O)(C)(C)C [N+](NCCC([O-])=O)(C)(C)C is an ammonium betaine that is beta-alaninate in which one of the amino hydrogens is replaced by a trimethylamino group. A clinically used cardioprotective drug that is used for treatment of heart failure, myocardial infarction, arrhythmia, atherosclerosis and diabetes. It has the role of EC 1.14.11.1 (gamma-butyrobetaine dioxygenase) inhibitor . It has the role of neuroprotective agent . It has the role of cardioprotective agent . It is also related to or classified as ammonium betaine .
The molecule O=C(OCCCCCCCCC(=O)O)/C=C(/C[C@@H]1OC[C@@H]2C[C@@H]3[C@@H](O[C@@]1(O)[C@H]2O3)[C@H]([C@@H](O)C)C)\C O=C(OCCCCCCCCC(=O)O)/C=C(/C[C@@H]1OC[C@@H]2C[C@@H]3[C@@H](O[C@@]1(O)[C@H]2O3)[C@H]([C@@H](O)C)C)\C is Mupirocin F2. It is also related to or classified as organic heterobicyclic compound , oxacycle .
The molecule C1(=CC=C(C=C1)C(OCC)=O)OC(CCCCCNC(N)=N)=O.S(=O)(=O)(C)O C1(=CC=C(C=C1)C(OCC)=O)OC(CCCCCNC(N)=N)=O.S(=O)(=O)(C)O is gabexate methanesulfonate. It is also related to or classified as guanidines , benzoate ester , methanesulfonate salt .
The molecule C[C@]1(CC[C@@H]2C(=C1)CC[C@H]3[C@]2(CC[C@H](C3(C)C)O)C)C=C is a tricyclic diterpenoid that is ent-sandaracopimaradiene bearing an additional hydroxy substituent at the 3alpha-position. It has a role as a plant metabolite.
The molecule [H]C1(CCC2([H])C3([H])CC=C4CC(CCC4(C)C3([H])CCC12C)OC)C(C)N(C)C [H]C1(CCC2([H])C3([H])CC=C4CC(CCC4(C)C3([H])CCC12C)OC)C(C)N(C)C is A steroid alkaloid that is pregn-5-ene substituted by a methoxy group at position 3beta, a methyl group at position 20S, and a dimethylamino group at position 21. It has the role of antibacterial agent . It has the role of immunosuppressive agent . It has the role of EC 3.1.1.8 (cholinesterase) inhibitor . It has the role of EC 3.1.1.7 (acetylcholinesterase) inhibitor . It has the role of hepatoprotective agent . It has the role of plant metabolite .  It is also related to or classified as aza-steroid  . It is also related to or classified as steroid alkaloid , tertiary amino compound .
The molecule [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)NC)ccc1N2C [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)NC)ccc1N2C is physostigmine. It has the role of EC 3.1.1.8 (cholinesterase) inhibitor . It has the role of miotic . It has the role of antidote to curare poisoning . It is also related to or classified as carbamate ester , indole alkaloid .