anonymous041/ChEBI-Augmented huggingface dataset:
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)CC(=O)CCCCCCC(=O)O)O is an acyl-CoA resulting from the formal condensation of the thiol group of coenzyme A with the 1-carboxy group of 3-oxodecanedioic acid. It is a conjugate acid of a 3-oxodecanedioyl-CoA(5-).
The molecule [O-]C(=O)CC1OC(=O)C=C1 [O-]C(=O)CC1OC(=O)C=C1 is A monocarboxylic acid anion that is the conjugate base of 5-oxo-2,5-dihydro-2-furylacetic acid, formed via deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as monocarboxylic acid anion  .
The molecule CCCCCCCCCCCCCCCCCCCCCCCC[C@H]([C@@H](CCCCCCCCCCCCCC1CC1CCCCCCCCCCCCCC/C=C\\CCCCCCCCCCCCCCCCCCCC)O)C(=O)O is a C79 alpha-mycolic acid having a saturated C26 alpha-branch and a C53 meromycolic chain with a distal cis-double bond and a proximal cis-cyclopropyl function. It is produced by Mycobacterium tuberculosis H37Ra. It has a role as a bacterial metabolite. It is a mycolic acid, a hydroxy fatty acid and an unsaturated fatty acid. It is a conjugate acid of a (2R)-2-[(1R)-14-{2-[(15Z)-hexatriacont-15-en-1-yl]cyclopropyl}-1-hydroxytetradecyl]hexacosanoate.
The molecule CCOC(=O)C(=CC=C1C=CN(C=C1)C)C#N CCOC(=O)C(=CC=C1C=CN(C=C1)C)C#N is 2-cyano-4-(1-methyl-4-pyridinylidene)-2-butenoic acid ethyl ester. It is also related to or classified as fatty acid ester  .
The molecule O=C1C=C(OC)[C@](O)(C)C([C@@]1(OC(=O)C(CC)C)C)=O O=C1C=C(OC)[C@](O)(C)C([C@@]1(OC(=O)C(CC)C)C)=O is Phomaligol A.  It is also related to or classified as quinone  . It is also related to or classified as benzoquinones .
The molecule O([C@@H]1[C@@H](O)[C@H](O)[C@H](OC1O)COC2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO)C3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO O([C@@H]1[C@@H](O)[C@H](O)[C@H](OC1O)COC2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO)C3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO is A glucotriose that is D-glucopyranose in which the hydroxy groups at positions 2 and 6 have been converted into the corresponding D-glucopyranosyl derivatives. It is also related to or classified as glucotriose , partially-defined glycan .
The molecule O([C@@H]1[C@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]2CO)O[C@H]3[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]3CO)O)O[C@@H]([C@H]1O)CO[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]5NC(=O)C)CO)CO)[C@H]6O[C@@H]([C@@H](O[C@@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7NC(=O)C)CO)[C@H](O)[C@@H]6O[C@@H]8O[C@@H]([C@@H](O)[C@H](O)[C@H]8NC(=O)C)CO)CO O([C@@H]1[C@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]2CO)O[C@H]3[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]3CO)O)O[C@@H]([C@H]1O)CO[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]5NC(=O)C)CO)CO)[C@H]6O[C@@H]([C@@H](O[C@@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7NC(=O)C)CO)[C@H](O)[C@@H]6O[C@@H]8O[C@@H]([C@@H](O)[C@H](O)[C@H]8NC(=O)C)CO)CO is 4-GlcNAc3Man3GlcNAc2. It is also related to or classified as beta-D-GlcpNAc-(1->2)-[beta-D-GlcpNAc-(1->4)]-alpha-D-Manp-(1->3)-[beta-D-GlcpNAc-(1->2)-alpha-D-Manp-(1->6)]-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-D-GlcpNAc  . It is also related to or classified as amino sugar .
The molecule C1=CC=C2C=C(C=CC2=C1)NC(=O)[C@H](CC(=O)N)N is an L-asparagine derivative that is the amide obtained by formal condensation of the carboxy group of L-asparagine with the amino group of 2-naphthylamine. It has a role as a chromogenic compound. It is an amino acid amide, a N-(2-naphthyl)carboxamide and a L-asparagine derivative.
The molecule C1[C@@H]([C@H](S[C@H]1N2C=NC(=NC2=O)N)CO)O C1[C@@H]([C@H](S[C@H]1N2C=NC(=NC2=O)N)CO)O is 5-Aza-4'-thio-2'-deoxycytidine is an orally bioavailable, nucleoside analog and DNA methyltransferase I (DNMT1) inhibitor, with potential DNA hypomethylating and antineoplastic activities. Upon administration, 5-aza-4'-thio-2'-deoxycytidine (Aza-TdC) gets incorporated into DNA, where it binds to the active site of DNMT1, a maintenance methyltransferase that contributes to the hypermethylation and silencing of tumor suppressor genes. The formation of covalent DNMT1-DNA complexes inhibits DNMT1, prevents DNA methylation of CpG sites, causes CpG demethylation, and results in the re-expression and re-activation of silenced tumor suppressor genes. This inhibits tumor cell proliferation. DNMT1, overactivated in tumor cells, plays a key role in tumor cell proliferation. It is also related to or classified as organic molecular entity .
The molecule NC(=O)c1nc[nH]c1N NC(=O)c1nc[nH]c1N is an aminoimidazole in which the amino group is at C-5 with a carboxamido group at C-4. It has the role of mouse metabolite .  It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as aminoimidazole .
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-[(3R,9R,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 C1[C@@H]2[C@@]([C@@]3([C@@](C1)(C([C@@H](C4=C([C@H](C[C@](C4(C)C)([C@H]3O)O)O)C)O)=O)C)[H])(O)CO2 C1[C@@H]2[C@@]([C@@]3([C@@](C1)(C([C@@H](C4=C([C@H](C[C@](C4(C)C)([C@H]3O)O)O)C)O)=O)C)[H])(O)CO2 is 1beta,2alpha,4alpha,10beta,13alpha-pentahydroxy-5beta,20-epoxytax-11-en-9-one. It is also related to or classified as secondary alpha-hydroxy ketone  . It is also related to or classified as oxetanes , taxane diterpenoid , tetracyclic diterpenoid .
The molecule COC(=O)c1c(C)[nH]c(C)c1C(=O)c1ccccc1Cc1ccccc1 COC(=O)c1c(C)[nH]c(C)c1C(=O)c1ccccc1Cc1ccccc1 is 1H-Pyrrole substituted at C-2 and -5 by methyl groups, at C-3 by methoxycarbonyl and at C-4 by a 2-benzylbenzoyl group. It has the role of calcium channel agonist .  It is also related to or classified as carboxylic ester  . It is also related to or classified as pyrroles .
The molecule COC1=C(C=C(C=C1)CC(=O)O)O is a member of the class of phenylacetic acids that is the 4-O-methyl ether of (3,4-dihydroxyphenyl)acetic acid. It has a role as a metabolite. It is an aromatic ether, a member of phenols and a member of phenylacetic acids. It derives from a (3,4-dihydroxyphenyl)acetic acid.
The molecule O=C(O[C@H]1C=2C(=C(O)C3=C(OC)C=C(C=C3C2)OC)CO[C@H]1C)C O=C(O[C@H]1C=2C(=C(O)C3=C(OC)C=C(C=C3C2)OC)CO[C@H]1C)C is [(3S,4S)-10-hydroxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-4-yl] acetate. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule O([C@H]1[C@@H](O)[C@H](O)[C@H](O[C@@H]1OC[C@H]2O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]2O)CO)[C@H]3O[C@@H]([C@@H](O)[C@H](O)[C@@H]3O)CO O([C@H]1[C@@H](O)[C@H](O)[C@H](O[C@@H]1OC[C@H]2O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]2O)CO)[C@H]3O[C@@H]([C@@H](O)[C@H](O)[C@@H]3O)CO is A alpha-D-Manp-(1->2)-alpha-D-Manp-(1->6)-D-Manp in which the carbon bearing the anomeric hydroxy group has alpha- configuration. Its functional parent is alpha-D-Manp-(1->2)-alpha-D-Manp . Its functional parent is alpha-D-Manp-(1->6)-alpha-D-Manp . It is also related to or classified as alpha-D-Manp-(1->2)-alpha-D-Manp-(1->6)-D-Manp  .
The molecule OC[C@H]1O[C@@H](OC2=C(C(=O)\C=C\c3ccc(O)cc3)C(=O)C=C(O)C2=O)[C@H](O)[C@@H](O)[C@@H]1O OC[C@H]1O[C@@H](OC2=C(C(=O)\C=C\c3ccc(O)cc3)C(=O)C=C(O)C2=O)[C@H](O)[C@@H](O)[C@@H]1O is Carthamone.  It is also related to or classified as monohydroxy-1,4-benzoquinones  . It is also related to or classified as hydroxycinnamic acid .
The molecule C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[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)NC(=O)C3=CC=CC=C3)[C@H](C)CO)C)CN(C)C is N-[(3S,9S,10S)-9-[(dimethylamino)methyl]-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-16-yl]benzamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCCCCCCC/C=C\\CCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@@H](/C=C/CCCCCCCC/C=C\\CCC)O is a sphingomyelin 36:3 in which the fatty acyl and sphingoid portions are specified as oleoyl and (4E,14Z)-sphingadienine respectively. It derives from an oleic acid and a sphinga-4E,14Z-dienine.
The molecule C[C@@H](CC1=CC=C(C=C1)OC)[NH2+]C[C@H](C2=CC(=C(C=C2)O)NC=O)O is an ammonium ion resulting from the protonation of the non-formylated amino group of (S,S)-formoterol. It is an ammonium ion derivative and an organic cation. It is a conjugate acid of a (S,S)-formoterol. It is an enantiomer of an arformoterol(1+).
The molecule C=12C(C=3C=CC=CC3C1C=CC=C2)(C=4C=CC(=CC4)O)C=5C=CC(=CC5)O C=12C(C=3C=CC=CC3C1C=CC=C2)(C=4C=CC(=CC4)O)C=5C=CC(=CC5)O is A member of the class of fluorenes that is 9H-fluorene in which both of the hydrogens at position 9 have been replaced by p-hydroxyphenyl groups. It has the role of anti-estrogen . It is also related to or classified as fluorenes , polyphenol .
The molecule O=C1C2=C(OC)C=C(OC)C=C2[C@H](O)[C@H]3[C@H]1CO[C@@](C3)(O)C O=C1C2=C(OC)C=C(OC)C=C2[C@H](O)[C@H]3[C@H]1CO[C@@](C3)(O)C is 9-O-methylscytalol A. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule O=C(O[C@H]1[C@@H](OC)[C@@H](C(=C)CC1)C2(O[C@@H]2CC=C(C)C)C)/C=C/C=C/C=C/C=C/C(=O)O O=C(O[C@H]1[C@@H](OC)[C@@H](C(=C)CC1)C2(O[C@@H]2CC=C(C)C)C)/C=C/C=C/C=C/C=C/C(=O)O is 2,4,6,8-Decatetraenedioic acid, mono[2-methoxy-4-methylene-3-[2-methyl-3-(3-methyl-2-butenyl)-2-oxiranyl]cyclohex-1-yl] ester [1R-[1beta(2E,4E,6E,8E),2beta,3alpha(2R∗,3R∗)]] (2). It is also related to or classified as medium-chain fatty acid  .
The molecule C1=C([C@@]2([C@@H](C[C@@]2([C@@]3([C@]1(CC(C3)(C)C)[H])[H])C)OC(C4=C(C(=C(C=C4O)O)Br)C)=O)O)CO C1=C([C@@]2([C@@H](C[C@@]2([C@@]3([C@]1(CC(C3)(C)C)[H])[H])C)OC(C4=C(C(=C(C=C4O)O)Br)C)=O)O)CO is 6'-bromomelleolide F. It is also related to or classified as sesquiterpene  . It is also related to or classified as dihydroxybenzoate  . It is also related to or classified as organobromine compound  . It is also related to or classified as carbotricyclic compound .
The molecule O([C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H]([C@@H](O)[C@H](O)[C@H]2O)CO)[C@H](O[C@H]1OC=3C=C4OC(=CC(=O)C4=C(O)C3)C5=CC(O)=C(O)C=C5)COC(=O)CC(O)=O)[C@@H]6OC[C@@](O)([C@H]6O)CO O([C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H]([C@@H](O)[C@H](O)[C@H]2O)CO)[C@H](O[C@H]1OC=3C=C4OC(=CC(=O)C4=C(O)C3)C5=CC(O)=C(O)C=C5)COC(=O)CC(O)=O)[C@@H]6OC[C@@](O)([C@H]6O)CO is Luteolin 7-O-(2-apiosyl-4-glucosyl-6-malonyl)-glucoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule [H]OI(=O)=O [H]OI(=O)=O is iodic acid. It has the role of astringent . It is a conjugate acid of iodate . It is also related to or classified as iodine oxoacid .
The molecule CCOC(=O)C1(CCN(CC1)C)C2=CC=CC=C2.Cl is the hydrochloride salt of pethidine. An analgesic used for the treatment of postoperative and labour pain. It has a role as a kappa-opioid receptor agonist, a mu-opioid receptor agonist, an antispasmodic drug and an opioid analgesic. It contains a pethidine(1+).
The molecule C1=CC(=CN=C1)/C=N/N2CCN(CC2)CCCC(C#N)(C3=CC=CC=C3)C4=CC=CC=C4 C1=CC(=CN=C1)/C=N/N2CCN(CC2)CCCC(C#N)(C3=CC=CC=C3)C4=CC=CC=C4 is sC 26196 is a selective FADS2 (Delta6 desaturase) inhibitor that displays selectivity over Delta5 and Delta9 desaturases. It completely blocks the conversion of linoleic acid to arachidonic acid (AA). It also blocks aging-related increases in AA in myocardial cardiolipin in mice, attenuating contractile dysfunction without impacting mitochondrial oxidative stress. It is also related to or classified as organic molecular entity .
The molecule O(C1=C(C#CC(=C)C)C=C(O)C=C1)C O(C1=C(C#CC(=C)C)C=C(O)C=C1)C is Eulatinol. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule O=C1C2=C(O)C3=C(C4=C(O)C(=C(CC(=O)/C=C/C=C/C)C=C4CC3)C(=O)O)C(=C2C(=O)C=5C1=C(O)C(OC)=CC5O)O O=C1C2=C(O)C3=C(C4=C(O)C(=C(CC(=O)/C=C/C=C/C)C=C4CC3)C(=O)O)C(=C2C(=O)C=5C1=C(O)C(OC)=CC5O)O is Fredericamycin C. It is also related to or classified as quinone  . It is also related to or classified as tetracenes .
The molecule Oc1c(Cl)cc(cc1Cl)-c1ccc(Cl)cc1 Oc1c(Cl)cc(cc1Cl)-c1ccc(Cl)cc1 is 4,3',5'-Trichloro-4'-biphenol.  It is also related to or classified as dichlorobenzene  . It is also related to or classified as biphenyls , monochlorobenzenes .
The molecule C1COCCN1C2=CC(=CC(=C2)C(=O)NC3=CC4=C(C=C3)C=CN4CCC5=CC=NC=C5)F is a member of the class of benzamides obtained by formal condensation of the carboxy group of 3-fluoro-5-morpholin-4-ylbenzoic acid with the amino group of 1-[2-(pyridin-4-yl)ethyl]indol-6-amine It has a role as an EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor. It is a member of morpholines, a member of indoles, a member of benzamides, an aminoalkylpyridine and a member of monofluorobenzenes.
The molecule [18O] [18O] is the stable isotope of oxygen with relative atomic mass 17.999160 and 0.205 atom percent natural abundance. It is also related to or classified as oxygen atom  .
The molecule S([C@@]12N(C(=O)[C@]3(SC)CC=4[C@H](N3C1=O)[C@@H](OC(=O)C[C@@H](O)CCCCC)C=CC4)[C@@H]5[C@@H](O)C=COC=C5C2)C S([C@@]12N(C(=O)[C@]3(SC)CC=4[C@H](N3C1=O)[C@@H](OC(=O)C[C@@H](O)CCCCC)C=CC4)[C@@H]5[C@@H](O)C=COC=C5C2)C is Graphiumin G. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule O1[C@@H]([C@H](O[C@@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)CO)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]3[C@H](O)[C@@H](O)C(O[C@@H]3CO)O)CO O1[C@@H]([C@H](O[C@@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)CO)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]3[C@H](O)[C@@H](O)C(O[C@@H]3CO)O)CO is A galactotriose consisting of two beta-D-galactopyranose residues and a D-galactopyranose residue joined in sequence by (1->4) glycosidic bonds. Its functional parent is beta-D-galactopyranosyl-(1->4)-D-galactopyranose . Its functional parent is beta-D-galactopyranosyl-(1->4)-beta-D-galactopyranose . It is also related to or classified as galactotriose .
The molecule O([C@H]1[C@@H](O)[C@H](O)[C@H](O[C@@H]1OC[C@H]2O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]2O)CO)[C@H]3O[C@@H]([C@@H](O)[C@H](O)[C@@H]3O)CO O([C@H]1[C@@H](O)[C@H](O)[C@H](O[C@@H]1OC[C@H]2O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]2O)CO)[C@H]3O[C@@H]([C@@H](O)[C@H](O)[C@@H]3O)CO is an alpha-D-Manp-(1->2)-alpha-D-Manp-(1->6)-D-Manp in which the carbon bearing the anomeric hydroxy group has beta- configuration. It is also related to or classified as alpha-D-Manp-(1->2)-alpha-D-Manp-(1->6)-D-Manp  .
The molecule C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)OS(=O)(=O)O)O is a disaccharide sulfate consisting of 3-O-sulfo-beta-D-glucopyranuronic acid and beta-D-xylopyranose joined in sequence by a (1->4) glycosidic bond. It is a glucosiduronic acid, a disaccharide derivative and an oligosaccharide sulfate. It derives from a beta-D-xylose.
The molecule OC=1C=CC(=CC1OC)C=2OC3=CC(=CC(=C3C(C2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)C[C@@](CC(O)=O)(O)C)O)O)O[C@@H]5OC[C@@]([C@]5(O)[H])(CO)O)=O)O)OC OC=1C=CC(=CC1OC)C=2OC3=CC(=CC(=C3C(C2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)C[C@@](CC(O)=O)(O)C)O)O)O[C@@H]5OC[C@@]([C@]5(O)[H])(CO)O)=O)O)OC is A viscumneoside that is viscumneoside IV in which the hydroxy group at position 2 of the glucosyl moiety has been converted to the corresponding beta-D-apifuranoside derivative. Found in Viscum coloratum, an evergreen hemiparasitic plant whose stems and leaves are used in traditional Chinese medicine for the treatment of rheumatism. It has the role of plant metabolite . Its functional parent is viscumneoside IV . Its functional parent is rhamnacene . Its functional parent is 3-hydroxy-3-methylglutaric acid . Its functional parent is beta-D-apiose .  It is also related to or classified as beta-D-glucoside  . It is also related to or classified as tertiary alcohol  .  It is also related to or classified as glycosyloxyflavone  . It is also related to or classified as viscumneoside , dicarboxylic acid monoester .
The molecule C(C(CNC(COC=1C=C(C=CC1)[C@@H](CCC2=CC(=C(C=C2)OC)OC)OC([C@H]3N(C([C@@H](CC)C4=CC(=C(C(=C4)OC)OC)OC)=O)CCCC3)=O)=O)CN(C)C)NC(COC=5C=C(C=CC5)[C@@H](CCC6=CC(=C(C=C6)OC)OC)OC([C@H]7N(C([C@@H](CC)C8=CC(=C(C(=C8)OC)OC)OC)=O)CCCC7)=O)=O C(C(CNC(COC=1C=C(C=CC1)[C@@H](CCC2=CC(=C(C=C2)OC)OC)OC([C@H]3N(C([C@@H](CC)C4=CC(=C(C(=C4)OC)OC)OC)=O)CCCC3)=O)=O)CN(C)C)NC(COC=5C=C(C=CC5)[C@@H](CCC6=CC(=C(C=C6)OC)OC)OC([C@H]7N(C([C@@H](CC)C8=CC(=C(C(=C8)OC)OC)OC)=O)CCCC7)=O)=O is A tertiary amino compound that is 2-(aminomethyl)-N,N-dimethylpropane-1,3-diamine in which the primary ammino groups have each been acylated by condensation with the carboxy group of 2-{3-[(1R)-3-(3,4-dimethoxyphenyl)-1-hydroxypropyl]phenoxy}acetic acid, the hydroxy groups of which have been esterified by condensation with the carboxy group of L-pipecolic acid, the nitrogen of which has been acylated by condensation with (2S)-2-(3,4,5-trimethoxyphenyl)butyric acid. It is a synthetic, cell-permeable ligand that can be used to induce homodimerization of fusion proteins containing the DmrB domain. It has the role of ligand . It is also related to or classified as carboxylic ester  . It is also related to or classified as aromatic ether , N-acylpiperidine , tertiary amino compound .
The molecule C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)CC3CC3 C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)CC3CC3 is 1-[(3R,9R,10R)-9-[[cyclopropylmethyl(methyl)amino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule O=C1N[C@H](C(=O)N[C@H]1C(C)C)CC=2C3=C(C=CC=C3)NC2 O=C1N[C@H](C(=O)N[C@H]1C(C)C)CC=2C3=C(C=CC=C3)NC2 is L-valyl-L-tryptophan anhydride. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule Cc1cn([C@H]2C[C@H](O)[C@@H](COP([O-])(=O)OP([O-])([O-])=O)O2)c(=O)[nH]c1=O Cc1cn([C@H]2C[C@H](O)[C@@H](COP([O-])(=O)OP([O-])([O-])=O)O2)c(=O)[nH]c1=O is an organophosphate oxoanion arising from deprotonation of the diphosphate OH groups of thymidine 5'-diphosphate; major species at pH 7.3. It has the role of Saccharomyces cerevisiae metabolite . It has the role of human metabolite . It is also related to or classified as organophosphate oxoanion .
The molecule C[C@H]1C[C@@H](C=C(C)C)[C@@](C)(CCC(O)=O)[C@@H]1COC1=CC2=C(C=CC(=O)O2)C=C1 C[C@H]1C[C@@H](C=C(C)C)[C@@](C)(CCC(O)=O)[C@@H]1COC1=CC2=C(C=CC(=O)O2)C=C1 is A member of the class of coumarins that is 2H-chromen-2-one substituted by a [(1R,2R,3S,5S)-2-(2-carboxyethyl)-2,5-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopentyl]methoxy group at position 7. It is isolated from the roots of Ferula sinaica. It has the role of geroprotector . It has the role of plant metabolite . It is also related to or classified as coumarins , monocarboxylic acid , aromatic ether , sesquiterpene lactone , olefinic compound .
The molecule O.[O-]S(=O)(=O)[O-].[Fe+2] is a hydrate that is the monohydrate form of iron(2+) sulfate. It is obtained from the heptahydrate by heating above 65℃. It is used as a source of iron in the treatment of iron-deficiency anaemia (generally in solid-dosage treatments; for liquid-dosage treatments, the heptahydrate is normally used). It has a role as a nutraceutical, an anti-anaemic agent and a reducing agent. It is a hydrate and an iron molecular entity. It contains an iron(2+) sulfate (anhydrous).
The molecule COC(=O)C1=CO[C@H](O)[C@H]2[C@@H]1Cc1nc(cc3c4cc(O)ccc4n([C@@H]2C)c13)C(O)=O COC(=O)C1=CO[C@H](O)[C@H]2[C@@H]1Cc1nc(cc3c4cc(O)ccc4n([C@@H]2C)c13)C(O)=O is Adifoline. It is also related to or classified as methyl ester  . It is also related to or classified as indole alkaloid .
The molecule CN[C@@H](CC1=CN=CN1)C(=O)O is a N(alpha)-methyl-L-histidines that is L-histidine bearing a single methyl substituent at the N(alpha)-position. It is a tautomer of a N(alpha)-methyl-L-histidine zwitterion.
The molecule O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@H]2O)CO[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@H]2O)CO[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO is A trisaccharide consisting of two beta-D-glucopyranose residues and an alpha-D-galactopyranose residue joined in sequence by (1->6) glycosidic bonds. It is also related to or classified as trisaccharide .
The molecule S([C@]1(NC(=O)[C@](O)(CC=2C3=C(C=CC=C3)NC2)NC1=O)C(C)C)C S([C@]1(NC(=O)[C@](O)(CC=2C3=C(C=CC=C3)NC2)NC1=O)C(C)C)C is Polanrazine C. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule O=C(O)/C=C/C=C/C=C/[C@@H]1[C@@H](C(=C[C@H]2[C@H]1CC=C(C2)C)C)/C(=C/[C@@H](CC)C)/C O=C(O)/C=C/C=C/C=C/[C@@H]1[C@@H](C(=C[C@H]2[C@H]1CC=C(C2)C)C)/C(=C/[C@@H](CC)C)/C is Pyrenulic acid B. It is also related to or classified as long-chain fatty acid  .
The molecule CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\Cc1cc(cc(O)c1O)C([O-])=O CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\Cc1cc(cc(O)c1O)C([O-])=O is A 3,4-dihydroxy-5-polyprenylbenzoate in which the polyprenyl chain contains 6 prenyl units; major species at pH 7.3. It has the role of Saccharomyces cerevisiae metabolite . It is also related to or classified as 3,4-dihydroxy-5-polyprenylbenzoate .
The molecule N[C@@H](C[Se](O)=O)C(O)=O N[C@@H](C[Se](O)=O)C(O)=O is an alpha-amino acid consisting of L-alanine having a selenino group attached at the 3-position. It is also related to or classified as selenocysteines , non-proteinogenic L-alpha-amino acid .
The molecule Cc1cc(O)cc(C)c1Cl Cc1cc(O)cc(C)c1Cl is A member of the class of phenols that is 3,5-xylenol which is substituted at position 4 by chlorine. It is bactericidal against most Gram-positive bacteria but less effective against Staphylococci and Gram-negative bacteria, and often inactive against Pseudomonas species. It is ineffective against bacterial spores. It has the role of molluscicide . It has the role of antiseptic drug . It has the role of disinfectant . Its functional parent is 3,5-xylenol . It is also related to or classified as phenols  . It is also related to or classified as monochlorobenzenes .
The molecule CC(CCC[C@@H](/C=C/[C@@H]1[C@H](C2CC(C2)O1)C/C=C\\CCCC(=O)O)O)O is a member of the class of thromboxanes that is carbocyclic thromboxane A2 carrying an additional hydroxy substituent at position 19. It is a bridged compound, a cyclic ether, a hydroxy monocarboxylic acid, a secondary allylic alcohol, a thromboxane and a diol. It derives from a carbocyclic thromboxane A2. It is a conjugate acid of a 19-hydroxycarbocyclic thromboxane A2(1-).
The molecule CC=1C=CC(C)=C(C1)C2=CC(C(F)(F)F)=NN2C3=CC=C(C=C3)S(N)(=O)=O CC=1C=CC(C)=C(C1)C2=CC(C(F)(F)F)=NN2C3=CC=C(C=C3)S(N)(=O)=O is 2,5-dimethylcelecoxib. It has the role of geroprotector . It is also related to or classified as organic molecular entity .
The molecule BrC1=C2C(=O)C3=C(O[C@](CCC=C(C)C)(C)[C@H]4[C@@H]3C=C(CC4)C)C(C2=C(O)C=C1O)=O BrC1=C2C(=O)C3=C(O[C@](CCC=C(C)C)(C)[C@H]4[C@@H]3C=C(CC4)C)C(C2=C(O)C=C1O)=O is Marinone. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)cc1 O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)cc1 is A tetrahydroxyflavan that is  (2S)-flavan substituted by hydroxy groups at positions 3, 5, 7 and 4' respectively. It has the role of EC 3.2.1.20 (alpha-glucosidase) inhibitor . It has the role of plant metabolite . It is also related to or classified as catechin  . It is also related to or classified as tetrahydroxyflavan .