anonymous041/ChEBI-Augmented huggingface dataset:
The molecule COCCCCCCCCCCCC(=O)O COCCCCCCCCCCCC(=O)O is 12-Methoxydodecanoic acid, also known as lauric acid 12-methyl ester, is an organic compound with the molecular formula C13H26O3. It is a fatty acid methyl ester that is commonly found in various natural sources, such as coconut oil and palm kernel oil. This chemical possesses unique properties and potential benefits, making it a versatile compound with a wide range of industrial and commercial applications. It is also related to or classified as organic molecular entity .
The molecule O=C1[C@H](O)[C@H](O)C(=C[C@H](C(=O)C[C@@H](OC(=O)[C@H]2N(C(=O)C[C@@]3(O[C@@H](C[C@@H](C(=CC=CC=C[C@H](C[C@H]1C)C)C)O)CC[C@H]3C)O)CCCC2)[C@@H](C[C@H]4C[C@H](OC)[C@H](O)CC4)C)C)C O=C1[C@H](O)[C@H](O)C(=C[C@H](C(=O)C[C@@H](OC(=O)[C@H]2N(C(=O)C[C@@]3(O[C@@H](C[C@@H](C(=CC=CC=C[C@H](C[C@H]1C)C)C)O)CC[C@H]3C)O)CCCC2)[C@@H](C[C@H]4C[C@H](OC)[C@H](O)CC4)C)C)C is 15-Deoxo-7,32-O-didesmethyl-rapamycin. It is also related to or classified as lactam  . It is also related to or classified as macrolide  .
The molecule C=1(C=CC(=CC1)[N+]([O-])=O)COC(OC)=O C=1(C=CC(=CC1)[N+]([O-])=O)COC(OC)=O is A carbonate ester that is dimethyl carbonate in which one of the methyl groups has been replaced by a 4-nitrobenzyl group. It is also related to or classified as carbonate ester .
The molecule C1=CC=NC(=C1)C(=O)O is a pyridinemonocarboxylic acid in which the carboxy group is located at position 2. It is an intermediate in the metabolism of tryptophan. It has a role as a MALDI matrix material and a human metabolite. It is a conjugate acid of a picolinate.
The molecule CC(=CCC/C(=C\\C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)([O-])[O-])O)/CC(=O)[O-])C is an acyl-CoA oxoanion arising from deprotonation of phosphate, diphosphate and carboxylic acid functions of 3-(4-methylpent-3-en-1-yl)pent-2-enedioyl-CoA. It is a conjugate base of a 3-(4-methylpent-3-en-1-yl)pent-2-enedioyl-CoA.
The molecule C12C3C4C5C1[Fe]23451234C5C1C2C3C45 C12C3C4C5C1[Fe]23451234C5C1C2C3C45 is A bis(eta(5)-cyclopentadienyl)metal(II) having Fe(II) as the metal(II) species. The parent of the class of ferrocenes. It has the role of fuel additive . It is also related to or classified as bis(eta(5)-cyclopentadienyl)metal(II) , ferrocenes .
The molecule CCCCCC\C=C\CC(O)=O CCCCCC\C=C\CC(O)=O is A decenoic acid having a trans- double bond at position 3. It is also related to or classified as 3-decenoic acid  .
The molecule [O][H] [O][H] is hydroxyl. It is also related to or classified as oxygen hydride , oxygen radical , reactive oxygen species .
The molecule CCCCCCCCCCCCCCCCCCC(CO)O is a glycol that is icosane bearing two hydroxy substituents located at positions 1 and 2. It derives from a hydride of an icosane.
The molecule S1S[C@]23N([C@@H]4[C@H]5O[C@H]5[C@H](C=C4C2)OC(=O)C)C([C@]16N([C@@H]7[C@H]8O[C@H]8[C@H](C=C7C6)OC(=O)CCC)C3=O)=O S1S[C@]23N([C@@H]4[C@H]5O[C@H]5[C@H](C=C4C2)OC(=O)C)C([C@]16N([C@@H]7[C@H]8O[C@H]8[C@H](C=C7C6)OC(=O)CCC)C3=O)=O is Ambewelamide A.  It is also related to or classified as organic disulfide  .  It is also related to or classified as 2,5-diketopiperazines  . It is also related to or classified as indoles , organic heteropentacyclic compound .
The molecule Cl.Cl.C(CNC(C1=CC=CC=C1)C1=CC=CC=C1)NC(C1=CC=CC=C1)C1=CC=CC=C1 Cl.Cl.C(CNC(C1=CC=CC=C1)C1=CC=CC=C1)NC(C1=CC=CC=C1)C1=CC=CC=C1 is A hydrochloride obtained by combining N,N'-bis(diphenylmethyl)ethane-1,2-diamine with two molar equivalent of hydrochloric acid. It has the role of geroprotector . It has the role of metabotropic glutamate receptor agonist . It has the role of neuroprotective agent . It is also related to or classified as hydrochloride .
The molecule N1C(NC([C-](C1=O)O)=O)=O N1C(NC([C-](C1=O)O)=O)=O is A barbiturate anion resulting from deprotonation of the carbon bearing the hydroxy group of dialuric acid. Major microspecies at pH 7.3. It is also related to or classified as barbiturate anion .
The molecule CC(=CC[C@@]12C3=C(C=C(C=C3)O)O[C@@]1(C(=O)C4=C(O2)C5=C(C=C4O)O[C@H](C5)C(=C)C)O)C is an extended flavonoid that is 1,2,6a,11b-tetrahydro-6H-[1]benzofuro[3,2-b]furo[2,3-h]chromene substituted by hydroxy groups at positions 5, 6a and 9, a prenyl group at position 11b, a prop-1-en-2-yl group at position 2 and an oxo group at position 6. It has been isolated from the twigs of Morus nigra. It has a role as a metabolite and a plant metabolite. It is an extended flavonoid, an organic heteropentacyclic compound and a polyphenol.
The molecule CCCC1CCCCN1 CCCC1CCCCN1 is A member of the class of piperidines that is piperidine substituted by a propyl group at position 2. It has the role of teratogenic agent . It is also related to or classified as piperidine alkaloid .
The molecule CCCCCCCC/C=C\\CCCCCCCCCC(=O)NCCO is a fatty amide obtained by the formal condensation of (11Z)-eicosaenoic acid with ethanolamine. It has a role as a metabolite. It is a fatty amide, a N-acylethanolamine and a N-(monounsaturated fatty acyl)ethanolamine. It derives from an (11Z)-icos-11-enoic acid.
The molecule C(CCCO)CC1C(C/C=C\C/C=C\C/C=C\CCCC([O-])=O)O1 C(CCCO)CC1C(C/C=C\C/C=C\C/C=C\CCCC([O-])=O)O1 is an icosanoid anion that is the conjugate base of 14,15-epoxy-20-hydroxy-(5Z,8Z,11Z)-icosatrienoic acid arising from deprotonation of the carboxylic acid function; major species at pH 7.3. Its functional parent is 14,15-EET(1-) . It is also related to or classified as omega-hydroxy-long-chain fatty acid anion  . It is also related to or classified as icosanoid anion , polyunsaturated fatty acid anion .
The molecule [Y] [Y] is yttrium atom. It is also related to or classified as rare earth metal atom , scandium group element atom , d-block element atom .
The molecule CC(N)=S CC(N)=S is A thiocarboxamide consiting of acetamide having the oxygen replaced by sulfur. It has the role of hepatotoxic agent . Its functional parent is acetamide . It is also related to or classified as thiocarboxamide .
The molecule O=C(O)C(O)CCCCCCCCCCCCCCO[C@@H]1O[C@@H]([C@@H](O[C@@H]2O[C@@H]([C@@H](OC(=O)C)[C@@H]([C@H]2OC(=O)C)OC(=O)C)CO)[C@@H]([C@H]1O)O)COC(=O)C O=C(O)C(O)CCCCCCCCCCCCCCO[C@@H]1O[C@@H]([C@@H](O[C@@H]2O[C@@H]([C@@H](OC(=O)C)[C@@H]([C@H]2OC(=O)C)OC(=O)C)CO)[C@@H]([C@H]1O)O)COC(=O)C is 16-O-(2'',3'',4'',6'-tetra-O-acetyl-beta-cellobiosyl)-2-hydroxydecanoic acid. Its functional parent is hexacarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule CC(O)CN1C(C)=NC=C1[N+]([O-])=O CC(O)CN1C(C)=NC=C1[N+]([O-])=O is A C-nitro compound that is 5-nitroimidazole in which the hydrogens at positions 1 and 2 are replaced by 2-hydroxypropyl and methyl groups, respectively. It is a drug used for the treatment of trichomoniasis caused by Trichomonas vaginalis. It has the role of antibacterial agent . It has the role of antiprotozoal drug . It has the role of epitope .  It is also related to or classified as secondary alcohol  . It is also related to or classified as imidazoles , C-nitro compound .
The molecule C([C@H](COP(=O)(O)O)O)O is an sn-glycerol 3-phosphate having unsubstituted hydroxy groups. It has a role as a human metabolite, a plant metabolite, an Escherichia coli metabolite and a mouse metabolite. It is a glycerol 1-phosphate and a member of sn-glycerol 3-phosphates. It derives from a glycerol. It is a conjugate acid of a sn-glycerol 3-phosphate(2-). It is an enantiomer of a sn-glycerol 1-phosphate.
The molecule C(CCN)CC(=O)N is a fatty amide consisting of pentanamide having an amino substituent at the 5-position. It is a conjugate base of a 5-ammoniopentanamide.
The molecule C1=CC=C(C2=C1N[C@]3([C@@H](C=CCC3=N2)C(=O)[O-])[H])C(=O)[O-] C1=CC=C(C2=C1N[C@]3([C@@H](C=CCC3=N2)C(=O)[O-])[H])C(=O)[O-] is A dicarboxylic acid dianion obtained by deprotonation of the carboxy groups of (1R,10aS)-1,4,10,10a-tetrahydrophenazine-1,6-dicarboxylic acid; major species at pH 7.3. It is also related to or classified as dicarboxylic acid dianion  .
The molecule C(CCC(O)O)C/C=C\\C[C@H](/C=C/C=C/C=C\\[C@H](CCCC(=O)O)O)O is a leukotriene that is leukotriene B4 in which two of the methyl hydrogens at position 20 have been replaced by hydroxy groups. It is an aldehyde hydrate, a leukotriene, a long-chain fatty acid, a secondary alcohol and a hydroxy polyunsaturated fatty acid. It derives from a leukotriene B4. It is a conjugate acid of a 20,20-dihydroxyleukotriene B4(1-).
The molecule C(CCCO)C/C=C\CC1C(C/C=C\C/C=C\CCCC([O-])=O)O1 C(CCCO)C/C=C\CC1C(C/C=C\C/C=C\CCCC([O-])=O)O1 is an epoxy(hydroxy)icosatrienoate that is the conjugate base of 20-hydroxy-11,12-epoxy-(5Z,8Z,14Z)-eicosatrienoic acid arising from deprotonation of the carboxylic acid function; major species at pH 7.3. Its functional parent is 11,12-EET(1-) . It is also related to or classified as omega-hydroxy-long-chain fatty acid anion  . It is also related to or classified as icosanoid anion , polyunsaturated fatty acid anion .
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)NC(=O)C)O[C@@]4(C[C@@H]([C@H]([C@@H](O4)CO)N)O)C(=O)O)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O is a sialotriaosylceramide that is ganglioside GM2 (18:0) in which the sialo N-acetyl group has been deacetylated. It derives from a ganglioside GM2 (18:0).
The molecule O1[C@H](C(=C)C)[C@H](O)C=C2[C@@H]1CC[C@]3([C@@]2(O)CC[C@@H]4[C@@]3(CC=5NC6=C(C45)C=CC=C6)C)C O1[C@H](C(=C)C)[C@H](O)C=C2[C@@H]1CC[C@]3([C@@]2(O)CC[C@@H]4[C@@]3(CC=5NC6=C(C45)C=CC=C6)C)C is Penijanthine A. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule O=C(C=C(C=CC([O-])=O)O)Cl O=C(C=C(C=CC([O-])=O)O)Cl is major micropecies at pH 7.3. It is also related to or classified as 6-oxo monocarboxylic acid anion , acyl chloride .
The molecule CC1=NCCC2=C1NC3=C2C=CC(=C3)OC is a harmala alkaloid in which the harman skeleton is methoxy-substituted at C-7 and has been reduced across the 3,4 bond. It has a role as a oneirogen. It derives from a hydride of a harman.
The molecule COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1 COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1 is A trihydroxyflavanone having the three hydroxy gropus located at the 3'-, 5- and 7-positions and an additional methoxy substituent at the 4'-position. It has the role of antioxidant . It has the role of antineoplastic agent . It has the role of plant metabolite . It is a conjugate acid of hesperetin(1-) . It is also related to or classified as 4'-methoxyflavanones  . It is also related to or classified as monomethoxyflavanone , trihydroxyflavanone , 3'-hydroxyflavanones .
The molecule C1=CC(=C(C=C1Cl)C2=CC(=C(C(=C2)Cl)O)Cl)Cl is a member of the class of hydroxybiphenyls that is biphenyl-4-ol substituted by chloro groups at positions 2', 3, 5 and 5' respectively. It is a dichlorobenzene and a member of hydroxybiphenyls.
The molecule O(C[C@H](C(CO)=O)O)P(O)(=O)O O(C[C@H](C(CO)=O)O)P(O)(=O)O is A ketotetrose phosphate that is D-erythrulose carrying a phosphono substituent at position O-4. It has the role of bacterial metabolite . Its functional parent is D-erythrulose . It is a conjugate acid of D-erythrulose 4-phosphate(2-) . It is also related to or classified as ketotetrose phosphate .
The molecule C(CCCO)C/C=C\C/C=C\CC1C(C/C=C\CCCC([O-])=O)O1 C(CCCO)C/C=C\C/C=C\CC1C(C/C=C\CCCC([O-])=O)O1 is an epoxy(hydroxy)icosatrienoate that is the conjugate base of 8,9-epoxy-20-hydroxy-(5Z,11Z,14Z)-icosatrienoic acid arising from deprotonation of the carboxylic acid function; major species at pH 7.3. Its functional parent is 8,9-EET(1-) . It is also related to or classified as omega-hydroxy-long-chain fatty acid anion  . It is also related to or classified as epoxy fatty acid anion , icosanoid anion , polyunsaturated fatty acid anion .
The molecule C(CCC)C/C=C\C/C=C\C/C=C\CC1C(CCCC([O-])=O)O1 C(CCC)C/C=C\C/C=C\C/C=C\CC1C(CCCC([O-])=O)O1 is an EET(1-) that is the conjugate base of 5,6-EET, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as EET(1-) .
The molecule O=C1OCC2C=C(C34OC5CC(C3C(C5)C=CC4C(OC)C(C(OC2C(O)COC=CC6=C(CC1)C(=O)OC6=O)=O)OC)O)C O=C1OCC2C=C(C34OC5CC(C3C(C5)C=CC4C(OC)C(C(OC2C(O)COC=CC6=C(CC1)C(=O)OC6=O)=O)OC)O)C is Lustromycin. Its functional parent is tetracarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule C(C[NH2+]C(C1=CC=CC=C1)C1=CC=CC=C1)[NH2+]C(C1=CC=CC=C1)C1=CC=CC=C1 C(C[NH2+]C(C1=CC=CC=C1)C1=CC=CC=C1)[NH2+]C(C1=CC=CC=C1)C1=CC=CC=C1 is A secondary ammonium ion resulting from the protonation of the two amino groups of N,N'-bis(diphenylmethyl)ethane-1,2-diamine. It is a conjugate acid of N,N'-bis(diphenylmethyl)ethane-1,2-diamine . It is also related to or classified as secondary ammonium ion  .
The molecule NC1=C2C(=NC=N1)N(C=C2C1=CC=C(OC2=CC=CC=C2)C=C1)C1CCCC1 NC1=C2C(=NC=N1)N(C=C2C1=CC=C(OC2=CC=CC=C2)C=C1)C1CCCC1 is A member of the class of pyrrolopyrimidines that is 7H-pyrrolo[2,3-d]pyrimidine substituted by amino, 4-phenoxyphenyl, and cyclopentyl groups at positions 4, 5 and 7, respectively. It is a potent inhibitor of Lck that inhibits Lck (64-509) and LckCD isoforms (IC50 of less than 1 and 2 nM, respectively). It has the role of geroprotector . It has the role of EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor . It is also related to or classified as cyclopentanes , aromatic amine , aromatic ether , pyrrolopyrimidine , primary amino compound .
The molecule C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3CCC(=O)C4 is a 3-oxo steroid that is estr-5(10)-ene substituted by an oxo group at position 3 and a beta-hydroxy group at position 17. It is a 3-oxo steroid and a 17beta-hydroxy steroid. It derives from a hydride of an estrane.
The molecule C1CNC[C@@H]1N2CC/C(=C\\C3=C(N4[C@@H]([C@@H](C4=O)NC(=O)/C(=N\\O)/C5=NSC(=N5)N)SC3)C(=O)O)/C2=O is a fifth-generation cephalosporin antibiotic having (E)-[(3'R)-2-oxo[1,3'-bipyrrolidin]-3-ylidene]methyl and [(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino)acetyl]amino side groups located at positions 3 and 7 respectively; developed for the treatment of hospital-acquired pneumonia (HAP, excluding ventilator-associated pneumonia, VAP) and community-acquired pneumonia (CAP). It has a role as an antimicrobial agent. It is a cephalosporin and a member of thiadiazoles.
The molecule O=C([O-])[C@@H]([NH3+])[C@@H](CCNC(=[NH2+])N)C O=C([O-])[C@@H]([NH3+])[C@@H](CCNC(=[NH2+])N)C is major species at pH 7.3. It is also related to or classified as 3-methylarginine  .
The molecule [C@]12([C@]([C@]3([C@](CC1)([C@@]4(C(=CC(CC4)=O)C=C3)C)[H])[H])(CC[C@@]2([C@@H](CCCC(C)(C)O)C)[H])[H])C [C@]12([C@]([C@]3([C@](CC1)([C@@]4(C(=CC(CC4)=O)C=C3)C)[H])[H])(CC[C@@]2([C@@H](CCCC(C)(C)O)C)[H])[H])C is 25-hydroxycholest-4,6-dien-3-one. It is also related to or classified as 3-oxo-Delta(4) steroid  . It is also related to or classified as cholestanoid .
The molecule [Ru+4] [Ru+4] is ruthenium(4+).  It is also related to or classified as monoatomic tetracation  . It is also related to or classified as ruthenium cation .
The molecule COC1=CC(=CC(=C1OC)OC)CCC(=O)O is a monocarboxylic acid consisting of propionic acid having a 3,4,5-trimethoxyphenyl substituent at the 3-position. It derives from a propionic acid. It is a conjugate acid of a 3,4,5-trimethoxydihydrocinnamate.
The molecule C(CCCO)C/C=C\C/C=C\C/C=C\CC1C(CCCC([O-])=O)O1 C(CCCO)C/C=C\C/C=C\C/C=C\CC1C(CCCC([O-])=O)O1 is an epoxy(hydroxy)icosatrienoate that is the conjugate base of 5,6-epoxy-20-hydroxy-(8Z,11Z,14Z)-eicosatrienoic acid arising from deprotonation of the carboxylic acid function; major species at pH 7.3. Its functional parent is 5,6-EET(1-) . It is also related to or classified as omega-hydroxy-long-chain fatty acid anion  . It is also related to or classified as epoxy fatty acid anion , icosanoid anion , polyunsaturated fatty acid anion .
The molecule NC1=NC2=C(N=C(C=N2)[C@@H](O)[C@@H](O)CO)C(=O)N1 NC1=NC2=C(N=C(C=N2)[C@@H](O)[C@@H](O)CO)C(=O)N1 is A neopterin that has 1R,2S-configuration. It is also related to or classified as neopterin  .
The molecule O=C1C2=C(O)C=C(OC)C(=C2[C@H](O)[C@H]3[C@@H]1CO[C@](C3)(O)C)O O=C1C2=C(O)C=C(OC)C(=C2[C@H](O)[C@H]3[C@@H]1CO[C@](C3)(O)C)O is 5-hydroxydihydrofusarubin C. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule Cl[C@@H]([C@H](O)C/C=C\C#C)C/C=C\C/C=C\CC Cl[C@@H]([C@H](O)C/C=C\C#C)C/C=C\C/C=C\CC is (3E,9Z,12Z)-7-Chloro-3,9,12-pentadecatrien-1-yn-6-ol. It is also related to or classified as alcohol  . It is also related to or classified as organochlorine compound  .
The molecule C=12[C@H]([N@+](CCC1C=C(OC)C(=C2)OC)(CCC(OCCCCCOC(CC[N@@+]3([C@@H](C4=C(C=C(OC)C(=C4)OC)CC3)CC5=CC(=C(OC)C=C5)OC)C)=O)=O)C)CC6=CC(=C(OC)C=C6)OC C=12[C@H]([N@+](CCC1C=C(OC)C(=C2)OC)(CCC(OCCCCCOC(CC[N@@+]3([C@@H](C4=C(C=C(OC)C(=C4)OC)CC3)CC5=CC(=C(OC)C=C5)OC)C)=O)=O)C)CC6=CC(=C(OC)C=C6)OC is A diester that is the (1R,1'R,2R,2'R)-diastereoisomer of atracurium, a quaternary ammonium ion  consisting of pentane-1,5-diol with both hydroxy functions bearing 3-[1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolinium-2(1H)-yl]propanoyl groups.  The active species in the skeletal muscle relaxant cisatracurium besylate. It has the role of nicotinic antagonist . It has the role of muscle relaxant . It is also related to or classified as quaternary ammonium ion  . It is also related to or classified as diester  .
The molecule CC(=CCC1=C(C(=CC(=C1)C(=O)O)O)O)C is benzoic acid substituted with hydroxy groups at C-3 and -4 and with a polyprenyl chain of unspecified length at C-5. It is a conjugate acid of a 3,4-dihydroxy-5-polyprenylbenzoate.
The molecule CN(CC(CO)O)C(=O)C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)NC(=O)COC)I is a dicarboxylic acid diamide that consists of N-methylisophthalamide bearing three iodo substituents at positions 2, 4 and 6, a methoxyacetyl substituent at position 5 and two 2,3-dihydroxypropyl groups attached to the amide nitrogens. A water soluble x-ray contrast agent for intravascular administration. It has a role as a radioopaque medium, a nephrotoxic agent, a xenobiotic and an environmental contaminant. It is an organoiodine compound and a dicarboxylic acid diamide. It derives from an isophthalamide and a glycerol.
The molecule [H][C@@]12Nc3ccccc3[C@@]1(CCN2C)[C@@]12CCN(C)[C@]1([H])N(C)c1ccccc21 [H][C@@]12Nc3ccccc3[C@@]1(CCN2C)[C@@]12CCN(C)[C@]1([H])N(C)c1ccccc21 is (-)-calycanthidine. Its functional parent is (-)-chimonanthine . It is also related to or classified as calycanthidine  .
The molecule O([C@H](COC(CCCCCCC/C=C\CCCCCCCC)=O)COC(=O)CCCCCCCCC/C=C\CCCCCCCC)C(=O)CCCCCCC/C=C\CCCCCCCC O([C@H](COC(CCCCCCC/C=C\CCCCCCCC)=O)COC(=O)CCCCCCCCC/C=C\CCCCCCCC)C(=O)CCCCCCC/C=C\CCCCCCCC is A triacyl-sn-glycerol in which the acyl groups at positions 1 and 2 are specified as oleoyl while that at position 3 is specified as (11Z)-icosenoyl. It has the role of human blood serum metabolite . It is also related to or classified as triacyl-sn-glycerol  . It is also related to or classified as triacylglycerol 56:3  .
The molecule CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H]([NH3+])CO[C@@H]1O[C@H](COS([O-])(=O)=O)[C@H](O)[C@H](O)[C@H]1O CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H]([NH3+])CO[C@@H]1O[C@H](COS([O-])(=O)=O)[C@H](O)[C@H](O)[C@H]1O is zwitterionic form of psychosine sulfate arising from transfer of a proton from the sulfo to the amino group; major species at pH 7.3. It is also related to or classified as zwitterion  .
The molecule [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC([C@H](C(NCCC(NCCSC(=O)/C=C/C/C=C\CC)=O)=O)O)(C)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC([C@H](C(NCCC(NCCSC(=O)/C=C/C/C=C\CC)=O)=O)O)(C)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O is A trans-3-enoyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (2E,5Z)-octadienoyl-CoA; major species at pH 7.3. It is also related to or classified as polyunsaturated fatty acyl-CoA(4-)  . It is also related to or classified as 4-saturated trans-2-enoyl-CoA(4-)  . It is also related to or classified as 2,3-trans-enoyl CoA(4-)  .
The molecule C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=C(NC3=O)N)COP(=O)(O)O)O.C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=C(NC3=O)N)COP(=O)(O)O)O.N.N.[Pt+2] is a cisplatin-modified (di)nucleotide in which cisplatin has formed an adduct with two molecules of dGMP. It derives from a 2'-deoxyguanosine 5'-monophosphate.
The molecule C1(=C(C(C(=C(C1=O)O)O)=O)O)O C1(=C(C(C(=C(C1=O)O)O)=O)O)O is A hydroxybenzoquinone in which all four protons of the benzoquinone structure are substituted by hydroxy groups. A systemic keratolytic, it is normally supplied as its hydrate (CHEBI:137471). It has the role of keratolytic drug . It is also related to or classified as hydroxybenzoquinone .
The molecule S1S[C@H]2[C@H](O)[C@H]3N4[C@]1(C(=O)N5[C@@H]6[C@@H](O)[C@H]7CC([C@@H]6C[C@]5(C4=O)SS7)=O)C[C@H]3C(C2)=O S1S[C@H]2[C@H](O)[C@H]3N4[C@]1(C(=O)N5[C@@H]6[C@@H](O)[C@H]7CC([C@@H]6C[C@]5(C4=O)SS7)=O)C[C@H]3C(C2)=O is Epicoccin C. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule Cl.[H]C(CCN(C)C)=C1C2=CC(Cl)=CC=C2SC2=C1C=CC=C2 Cl.[H]C(CCN(C)C)=C1C2=CC(Cl)=CC=C2SC2=C1C=CC=C2 is the hydrochloride salt of chlorprothixene. It has the role of geroprotector . It has the role of non-narcotic analgesic . It has the role of sedative . It has the role of dopaminergic antagonist . It has the role of cholinergic antagonist . It has the role of antiemetic . It has the role of first generation antipsychotic . It is also related to or classified as hydrochloride .
The molecule CC[NH3+].C(=O)(C(F)(F)F)[O-] is an organoammonium salt resulting from the mixing of equimolar amounts of trifluoroacetic acid and ethylamine. It contains a trifluoroacetate and an ethylaminium.
The molecule OC(=O)CCCCCCNC1c2ccccc2CCc2ccccc12 OC(=O)CCCCCCNC1c2ccccc2CCc2ccccc12 is A carbocyclic fatty acid that is 5-aminoheptanoic acid in which one of the hydrogens attached to the nitrogen is replaced by a 10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-yl group. A tricyclic antidepressant, it was never approved in the US and was withdrawn from the French market in 1999 due to concerns over abuse, dependence and severe acne. It has the role of antidepressant . It has the role of dopamine uptake inhibitor . It is also related to or classified as amino acid , carbocyclic fatty acid , carbotricyclic compound , secondary amino compound .
The molecule CCCC1=CC(=C(C=C1)OC2=CC(=CC(=C2O)OC)C(CC)O)OC is a member of the class of phenols that is phenol substitutedpby a methoxy group at position 2, a 1-hydroxypropyl group at position 4 and a 2-methoxy-4-propylphenoxy group at position 6 respectively. It is a phenylpropanoid, a secondary alcohol and a member of guaiacols.
The molecule [H][C@]1(C[C@]2([H])CC[C@]([H])(C1)N2C)OC(c1ccccc1)c1ccccc1 [H][C@]1(C[C@]2([H])CC[C@]([H])(C1)N2C)OC(c1ccccc1)c1ccccc1 is tropane in which a hydrogen at position 3 is substituted by a diphenylmethoxy group (endo-isomer). An acetylcholine receptor antagonist, it is used (particularly as its methanesulphonate salt) in the treatment of Parkinson's disease, and to reduce parkinsonism and akathisia side effects of antipsychotic treatments. It has the role of oneirogen . It has the role of antiparkinson drug . It has the role of muscarinic antagonist . It has the role of parasympatholytic . It has the role of antidyskinesia agent . It is also related to or classified as tertiary amino compound .
The molecule C1=CC=C([C@]2(C1=NC=3C(=CC=CC3N2)C(=O)[O-])[H])C(=O)[O-] C1=CC=C([C@]2(C1=NC=3C(=CC=CC3N2)C(=O)[O-])[H])C(=O)[O-] is A dicarboxylic acid dianion obtained by deprotonation of the carboxy groups of (5aS)-5,5a-dihydrophenazine-1,6-dicarboxylic acid; major species at pH 7.3. It is also related to or classified as dicarboxylic acid dianion  .
The molecule [H][C@@]1(C[C@H]2[C@@H](C=C)[C@H](O)OC=C2C(=O)OC)[NH2+]CCc2c1[nH]c1ccccc21 [H][C@@]1(C[C@H]2[C@@H](C=C)[C@H](O)OC=C2C(=O)OC)[NH2+]CCc2c1[nH]c1ccccc21 is conjugate acid of strictosidine aglycone arising from deprotonation of the secondary amino group; major species at pH 7.3. It is a conjugate acid of strictosidine aglycone . It is also related to or classified as organic cation , ammonium ion derivative .