anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CCCC[C@H]([C@H]([C@H](C[C@H](C[C@@H](CCCC[C@H](C[C@@H]([C@H](C)N)O)O)O)C)OC(C[C@@H](CC(=O)O)C(=O)O)=O)OC(=O)C[C@@H](CC(O)=O)C(=O)O)C CCCC[C@H]([C@H]([C@H](C[C@H](C[C@@H](CCCC[C@H](C[C@@H]([C@H](C)N)O)O)O)C)OC(C[C@@H](CC(=O)O)C(=O)O)=O)OC(=O)C[C@@H](CC(O)=O)C(=O)O)C is A diester that results from the condensation of the 1-carboxy groups of two molecules of propane-1,2,3-tricarboxylic acid with hydroxy groups at positions 14 and 15 of (2S,3S,5R,10R,12S,14S,15R,16R)-2-amino-12,16-dimethylicosane-3,5,10,14,15-pentol. It has the role of metabolite . It has the role of carcinogenic agent . Its functional parent is (2S,3S,5R,10R,12S,14S,15R,16R)-2-amino-12,16-dimethylicosane-3,5,10,14,15-pentol . It is a conjugate acid of fumonisin B1(3-) .  It is also related to or classified as fumonisin  .  It is also related to or classified as diester  . It is also related to or classified as triol , primary amino compound .
The molecule C1=CC=C(C=C1)CCC(=O)C2=C(C=C(C(=C2O)C=O)O)O is a member of the class of dihydrochalcones that is dihydrochalcone with hydroxy substituents at positions 2' ,4' , and 6' and a formyl substituent at position 3'. It has a role as a metabolite. It is a member of dihydrochalcones, a polyphenol and a member of benzaldehydes. It derives from a dihydrochalcone.
The molecule CC1CCCCC1=O CC1CCCCC1=O is A member of the class of cyclohexanones that is cyclohexanone substituted by a methyl group at position 2. It has the role of flavouring agent . It has the role of plant metabolite . It is also related to or classified as cyclohexanones .
The molecule CC(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)O is an amidobenzoic acid that is benzoic acid substituted by an acetoamido group at position 5 and a nitro group at position 2 respectively. It is an amidobenzoic acid and a C-nitro compound.
The molecule CC1=N[C@@H]([C@@H](O)CN1)C([O-])=O CC1=N[C@@H]([C@@H](O)CN1)C([O-])=O is A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of 5-hydroxyectoine. It is also related to or classified as monocarboxylic acid anion  .
The molecule C(C=1C(O)=C2C(CC(C)OC2=O)=CC1)([O-])=O C(C=1C(O)=C2C(CC(C)OC2=O)=CC1)([O-])=O is major species at pH 7.3.  It is also related to or classified as aromatic carboxylate  . It is also related to or classified as 2-benzopyran .
The molecule CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CC is a phosphatidylcholine 38:6 in which the acyl groups specified at positions 1 and 2 are (9Z)-octadecenoyl and (5Z,8Z,11Z,14Z,17Z)-eicosapentaenoyl respectively. It derives from an oleic acid and an all-cis-5,8,11,14,17-icosapentaenoic acid.
The molecule COC1=CC=CC=C1CN2[C@@H]3CNC[C@H]2C3C4=CC=C(C=C4)C5=CC=CC(=C5)C#N COC1=CC=CC=C1CN2[C@@H]3CNC[C@H]2C3C4=CC=C(C=C4)C5=CC=CC(=C5)C#N is 3-[4-[(1R,5S)-6-[(2-methoxyphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile. It is also related to or classified as nitrile  . It is also related to or classified as biphenyls .
The molecule C[C@]1(CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]2C1)C)C(=O)O)CO is a pentacyclic triterpenoid with formula C30H48O4, originally isolated from Akebia quinata and Stauntonia hexaphylla. It has a role as a plant metabolite. It is a pentacyclic triterpenoid, a hydroxy monocarboxylic acid and a diol. It derives from a hydride of an oleanane.
The molecule N[C@@H](CCC(=O)N[C@@H](CSS(O)(=O)=O)C(=O)NCC(O)=O)C(O)=O N[C@@H](CCC(=O)N[C@@H](CSS(O)(=O)=O)C(=O)NCC(O)=O)C(O)=O is S-sulfoglutathione. Its functional parent is glutathione .   It is also related to or classified as oligopeptide  . It is also related to or classified as L-glutamine derivative , glycine derivative , organic thiosulfate , L-cysteine derivative .
The molecule C1=CC=C(C=C1)C(CC(=O)O)N is a beta-amino acid that is beta-alanine substituted at position 3 by a phenyl group. It is a tautomer of a 3-ammonio-3-phenylpropanoate.
The molecule COC1=C(C=C(C=C1)Cl)NC(=O)CN(C2CCCCC2)C(=O)C3=CC=CO3 COC1=C(C=C(C=C1)Cl)NC(=O)CN(C2CCCCC2)C(=O)C3=CC=CO3 is N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-cyclohexyl-2-furancarboxamide. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule [C@@H]1(N2C3=C(C(N)=NC=N3)N=C2)O[C@@H]([C@H]([C@H]1O)OP(=O)([O-])[O-])COP(O[C@@H]4[C@H](O[C@@H](N5C6=C(C(N)=NC=N6)N=C5)[C@@H]4O)COP(O[C@@H]7[C@H](O[C@@H](N8C9=C(C(N)=NC=N9)N=C8)[C@@H]7O)CO)([O-])=O)(=O)[O-] [C@@H]1(N2C3=C(C(N)=NC=N3)N=C2)O[C@@H]([C@H]([C@H]1O)OP(=O)([O-])[O-])COP(O[C@@H]4[C@H](O[C@@H](N5C6=C(C(N)=NC=N6)N=C5)[C@@H]4O)COP(O[C@@H]7[C@H](O[C@@H](N8C9=C(C(N)=NC=N9)N=C8)[C@@H]7O)CO)([O-])=O)(=O)[O-] is major species at pH 7.3.  It is also related to or classified as oligonucleotide  . It is also related to or classified as organophosphate oxoanion .
The molecule OC(=O)c1ccccc1-c1ccccc1C(O)=O OC(=O)c1ccccc1-c1ccccc1C(O)=O is diphenic acid. It is a conjugate acid of diphenate(1-) . It is also related to or classified as dicarboxylic acid .
The molecule CC(=O)NC1=CC=C(C=C1)NC2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)NC(=O)C CC(=O)NC1=CC=C(C=C1)NC2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)NC(=O)C is N-[4-[[2-(4-acetamidoanilino)-5-nitro-4-pyrimidinyl]amino]phenyl]acetamide. It is also related to or classified as anilide  . It is also related to or classified as acetamides .
The molecule [O-]C(=O)C1CC(=O)C[NH2+]1 [O-]C(=O)C1CC(=O)C[NH2+]1 is an amino acid zwitterion obtained from 4-oxoproline by transfer of a proton from the alpha-carboxy group to the amino group; major species at pH 7.3. It is also related to or classified as amino-acid zwitterion .
The molecule CCC[C@H](CCCCCCCC1=C(C(=CC(=C1)O)O)C(=O)O[C@H](CCC)CCCCCCCC2=CC(=CC(=C2)O)O)OC(=O)C is a benzoate ester obtained by the formal condensation of the hydroxy group of 5-(8-hydroxyundecyl)benzene-1,3-diol with 4,6-dihydroxy benzoic acid which is also substituted by a 8-(acetoxy)undecyl group at position 2. It is isolated from Cytonaema sp. and has anti-HIV-1 activity. It has a role as a metabolite and a HIV-1 integrase inhibitor. It is a member of resorcinols and a benzoate ester.
The molecule CC/C=C/CC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)CC)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(C)CC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)NCC(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N is a polypeptide that is a synthetic analogue of human GRF (Growth Releasing Factor) comprised of the 44 amino-acid sequence of human GRF with a hex-3-enoyl moiety attached to the tyrosine residue at the N-terminal part of the molecule. It is used to stimulate human GRF receptors. It is a polypeptide and a peptide hormone.
The molecule OC1=C(C(=CN=C1C)CO)C2SCC(N2)C(=O)O OC1=C(C(=CN=C1C)CO)C2SCC(N2)C(=O)O is 2-[3-Hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]-4-thiazolidinecarboxylic acid. It is also related to or classified as hydroxypyridine , methylpyridines , thiazolidines .
The molecule CCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O is a 1-O-acyl-sn-glycero-3-phosphocholine in which the acyl group is specified as nonadecanoyl. It is a lysophosphatidylcholine 19:0 and a 1-O-acyl-sn-glycero-3-phosphocholine. It derives from a nonadecanoic acid.
The molecule [H][C@]1(C[C@@H](O)C=N1)C(O)=O [H][C@]1(C[C@@H](O)C=N1)C(O)=O is (3R,5S)-1-pyrroline-3-hydroxy-5-carboxylic acid. It has the role of human metabolite . Its functional parent is (S)-1-pyrroline-5-carboxylic acid . It is a conjugate acid of (3R,5S)-1-pyrroline-3-hydroxy-5-carboxylate . It is also related to or classified as 1-pyrroline-3-hydroxy-5-carboxylic acid  .
The molecule C1(C2=CC=CC=C2O)=CC=CC=C1O C1(C2=CC=CC=C2O)=CC=CC=C1O is A member of the class of hydroxybiphenyls carrying hydroxy groups at positions 2 and 2'. It is also related to or classified as hydroxybiphenyls  .
The molecule [8He] [8He] is the radioactive isotope of helium with relative atomic mass 8.03392 and half-life of 119.0 ms. It is also related to or classified as helium atom  .
The molecule CC1=C(C=CC(=C1)NC2=C(C=NC=C2)S(=O)(=O)NC(=O)NC(C)C)O is a member of the class of phenols that is torasemide which carries a hydroxy group at position 4' of the phenyl ring. It is a metabolite of torasemide. It has a role as a drug metabolite and a human xenobiotic metabolite. It is a secondary amino compound, an aminopyridine, a N-sulfonylurea and a member of phenols. It derives from a torasemide.
The molecule CCC(=O)NC[C@H]1[C@H]([C@@H](N1C(=O)C2CCC2)CO)C3=CC=CC=C3 CCC(=O)NC[C@H]1[C@H]([C@@H](N1C(=O)C2CCC2)CO)C3=CC=CC=C3 is N-[[(2R,3R,4R)-1-[cyclobutyl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]propanamide. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule CC/C=C\\C/C=C\\C[C@@H](/C=C/C=C\\C/C=C\\C/C=C\\CCC(=O)O)OO is a hydroperoxy fatty acid that is (4Z,7Z,10Z,12E,16Z,19Z)-docosahexaenoic acid in which the hydroperoxy group is located at the 14(S)-position. It derives from an all-cis-docosa-4,7,10,13,16,19-hexaenoic acid. It is a conjugate acid of a 14(S)-HPDHE(1-).
The molecule NC(CC1C(=O)NC2=CC=CC=C12)C(O)=O NC(CC1C(=O)NC2=CC=CC=C12)C(O)=O is 2-amino-3-(2-oxo-2,3-dihydro-1H-indol-3-yl)propanoic acid. It is also related to or classified as alanine derivative , indolones , oxo monocarboxylic acid .
The molecule CC[C@@]12C=CCN3[C@@H]1[C@]4(CC3)[C@H]([C@]([C@@H]2O)(C(=O)OC)O)N(C5=C4C=CC(=C5)OC)C is a vinca alkaloid that is vindoline in which the acetate ester group at position 17 has been hydrolysed to give the corresponding secondary alcohol. It is a vinca alkaloid, an organic heteropentacyclic compound, a methyl ester, a tertiary alcohol and a secondary alcohol. It derives from a vindoline. It is a conjugate base of a 17-O-deacetylvindolinium.
The molecule CC(=C)C1CCC(=CC1)C([O-])=O CC(=C)C1CCC(=CC1)C([O-])=O is the monocarboxylic acid anion formed by loss of a proton from the carboxy group of perillic acid; principal microspecies at pH 7.3. It is also related to or classified as monocarboxylic acid anion  .
The molecule C1=CC=C2C(=C1)C=CC=C2C=C(C3=NC4=CC=CC=C4C=C3)C(=O)C(=O)O C1=CC=C2C(=C1)C=CC=C2C=C(C3=NC4=CC=CC=C4C=C3)C(=O)C(=O)O is 4-(1-naphthalenyl)-2-oxo-3-(2-quinolinyl)-3-butenoic acid. Its functional parent is cinnamic acid . It is also related to or classified as olefinic compound .
The molecule C[C@H](CCCCCCCCCCCCCC/C=C/C(=O)O)O is an (omega-1)-hydroxy fatty acid that is nonadecanoic acid which has been dehydrogenated to introduce a double bond with E configuration between positions 2 and 3 and in which the pro-R hydrogen at position 17 has been replaced by a hydroxy group. It is an (omega-1)-hydroxy fatty acid, a long-chain fatty acid, an alpha,beta-unsaturated monocarboxylic acid and a hydroxy monounsaturated fatty acid.
The molecule OC1=C(O)C2=C(O)C=CC(O)=C2N=C1 OC1=C(O)C2=C(O)C=CC(O)=C2N=C1 is A hydroxyquinoline that is quinoline substituted by hydroxy groups at positions 3, 4, 5, and 8. It is also related to or classified as tetrol , hydroxyquinoline .
The molecule C(C(=O)O)NCP(=O)(O)O is a phosphonic acid resulting from the formal oxidative coupling of the methyl group of methylphosphonic acid with the amino group of glycine. It is one of the most commonly used herbicdes worldwide, and the only one to target the enzyme 5-enolpyruvyl-3-shikimate phosphate synthase (EPSPS). It has a role as an agrochemical, an EC 2.5.1.19 (3-phosphoshikimate 1-carboxyvinyltransferase) inhibitor and a herbicide. It is a phosphonic acid and a glycine derivative. It is a conjugate acid of a glyphosate(2-) and a glyphosate(1-).
The molecule CC(C)/C=C/C1=C(C=C2C(=C1O)C(=O)C3=C(O2)C4=C(C=C(C=C4)O)OC(C3)C(=C)C)OC is an extended flavonoid that is 6,7-dihydro-8H-chromeno[3,2-d][1]benzoxepin-8-one substituted by hydroxy groups at positions 3 and 9, a methoxy group at position 11, a (1E)-3-methylbut-1-en-1-yl group at position 10 and a prop-1-en-2-yl at position 6. It is isolated from the woods of Artocarpus elasticus and shows moderate cytotoxicity against murine leukemia P-388 cells. It has a role as a metabolite and an antineoplastic agent. It is an organic heterotetracyclic compound, an extended flavonoid and an aromatic ether.
The molecule CC[C@@H]1[C@@H](O1)C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCC(=O)O is a 17(18)-EpETE in which the epoxy group has (17S,18R)-configuration. It is a conjugate acid of a 17(S),18(R)-EETeTr(1-). It is an enantiomer of a 17(R),18(S)-EETeTr.
The molecule C(CC/C=C\C/C=C/CCC(CCCCC)=O)C(=O)[O-] C(CC/C=C\C/C=C/CCC(CCCCC)=O)C(=O)[O-] is an oxo fatty acid anion that is the conjugate base of 12-oxo-(5Z,8E)-heptadecadienoic acid; major species at pH 7.3. It is also related to or classified as oxo fatty acid anion .
The molecule O=C(O)C(N)CC=1C=CC=C(OC)C1 O=C(O)C(N)CC=1C=CC=C(OC)C1 is the L-enantiomer of 3-methoxyphenylalanine. It is also related to or classified as 3-methoxyphenylalanine  . It is also related to or classified as L-phenylalanine derivative .
The molecule CC[C@H](C)/C=C/C1=CC2=C(C(=O)[C@@]3(C(=C(C(=O)O3)C(=O)/C(=C/C)/C)C2=CO1)C)Cl is an azaphilone that is 6H-furo[2,3-h]isochromene-6,8(6aH)-dione substituted by a chloro group at position 5, a methyl group at position 6a, a 2-methylbut-2-enoyl group at position 9 and a 3-methylpent-1-en-1-yl group at position 3. It has been isolated from Chaetomium globosum. It has a role as a Chaetomium metabolite. It is an azaphilone, an enone, an organic heterotricyclic compound, a gamma-lactone and an organochlorine compound.
The molecule CSCCCCCCCC[C@@H](C(=O)[O-])[NH3+] is an L-polyhomomethionine zwitterion obtained by transfer of a proton from the carboxy to the amino group of L-hexahomomethionine; major species at pH 7.3. It is a L-polyhomomethionine zwitterion and a hexahomomethionine zwitterion.
The molecule [H]C(=O)[C@H](N)C([O-])=O [H]C(=O)[C@H](N)C([O-])=O is an L-amino acid anion, being the conjugate base of L-3-oxoalanine. It has the role of Saccharomyces cerevisiae metabolite . It is also related to or classified as 3-oxo monocarboxylic acid anion  . It is also related to or classified as L-alpha-amino acid anion  .
The molecule C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)[C@@H](C)CO)C)CN(C)C(=O)NC4=CC=C(C=C4)F C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)[C@@H](C)CO)C)CN(C)C(=O)NC4=CC=C(C=C4)F is 1-[[(3S,9R,10S)-16-(benzenesulfonamido)-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-9-yl]methyl]-3-(4-fluorophenyl)-1-methylurea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC(C)[C@@H]1NC(=O)C(=C)NC1=O CC(C)[C@@H]1NC(=O)C(=C)NC1=O is A 2,5-diketopiperazine where the substituents are methylidene and (S)-isopropyl at positions  3 and 6 respectively. It has the role of metabolite . It is also related to or classified as 2,5-diketopiperazines  .
The molecule CCN(CC)C(=S)[S-] is a member of the class of dithiocarbamate anions resulting from the removal of the proton from the dithiocarbamic acid moiety of diethyldithiocarbamic acid. It is a conjugate base of a diethyldithiocarbamic acid.
The molecule C(CC/C=C\C/C=C/C=C/C(CCCCC)=O)C(=O)[O-] C(CC/C=C\C/C=C/C=C/C(CCCCC)=O)C(=O)[O-] is an oxo fatty acid anion that is the conjugate base of 12-oxo-(5Z,8E,10E)-heptadecatrienoic acid; major species at pH 7.3. It is also related to or classified as oxo fatty acid anion .
The molecule CCCCCCCCCCCCCCCCCCC(C(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@@H]([C@@H](CCCCCCCCCCC(C)C)O)O)O is an N-acyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine in which the acyl group has 20 carbons and 0 double bonds and is 2-hydroxylated. It derives from a 15-methylhexadecaphytosphingosine.
The molecule O=C(N1[C@H](CN[C@H](C1)CC2=CC(OC)=C3OCOC3=C2)CC4=CC(OC)=C(O)C(=C4)OC)/C=C/C5=CC=CC=C5 O=C(N1[C@H](CN[C@H](C1)CC2=CC(OC)=C3OCOC3=C2)CC4=CC(OC)=C(O)C(=C4)OC)/C=C/C5=CC=CC=C5 is Hancockiamide E. Its functional parent is cinnamic acid . It is also related to or classified as olefinic compound .
The molecule [13N] [13N] is the radioactive isotope of nitrogen with relative atomic mass 13.0057386. The longest-lived nitrogen radionuclide with half-life of 9.965 min. It is also related to or classified as nitrogen atom  .
The molecule [NH3+][C@@H](C=O)C([O-])=O [NH3+][C@@H](C=O)C([O-])=O is an amino acid zwitterion obtained by transfer of a proton from the amino to the carboxy group of L-3-oxoalanine; major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is also related to or classified as amino-acid zwitterion .
The molecule C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2O[C@@H]3[C@H]([C@@H](O[C@@H]([C@H]3O)CO)O[C@H]4[C@H]([C@H](O[C@H]([C@@H]4O)O)CO)O)NC(=O)C)CO)O)O)O)O)O is a linear amino tetrasaccharide consisting of alpha-fucosyl, beta-galactosyl, beta-glucosaminyl and beta-galactose units connected via sequential (1->2)-, (1->3)- and (1->3)-linkages. It is an amino tetrasaccharide and a glucosamine oligosaccharide.
The molecule CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)N)C(C)C)C(C)C)C(C)C)C(=O)N1CCC[C@H]1C(O)=O CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)N)C(C)C)C(C)C)C(C)C)C(=O)N1CCC[C@H]1C(O)=O is A 26-amino acid peptide with formula C129H230N36O29S.  It is a cell permeable inhibitor of NF-kappaB translocation. It has the role of anti-inflammatory agent . It has the role of NF-kappaB inhibitor . It has the role of cardioprotective agent . It is also related to or classified as polypeptide  .
The molecule C/C(=C\\CC/C(=C/C=C/C(=C/C=C/C=C(\\C)/C=C/C=C(\\C)/C=C/C=C(\\C)/CCCC(C)(C)O)/C)/C)/CCCC(C)(C)O is a carotenol obtained by formal hydration across the two double bonds at positions 1 and 1' of neurosporene. It is a carotenol, a tertiary alcohol and a diol. It derives from a neurosporene.
The molecule C1COCCC1C(=O)N2[C@@H]([C@H](C23CN(C3)C(=O)CC4=CN=CC=C4)C5=CC=CC=C5)CO C1COCCC1C(=O)N2[C@@H]([C@H](C23CN(C3)C(=O)CC4=CN=CC=C4)C5=CC=CC=C5)CO is 1-[(2S,3R)-2-(hydroxymethyl)-1-[4-oxanyl(oxo)methyl]-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]-2-(3-pyridinyl)ethanone. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule O(C1=C(O)C(OC)=CC(=C1)C[C@@H]2NC[C@H](CC3=CC=CC=C3)NC2)C O(C1=C(O)C(OC)=CC(=C1)C[C@@H]2NC[C@H](CC3=CC=CC=C3)NC2)C is Hancockiamide D. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule O=C([O-])CC(C(=O)[O-])CC(=O)OC(CC(C)CC(O)CCCCC(O)CC(O)C(NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC)C)C(OC(=O)CC(C(=O)[O-])CC(=O)[O-])C(C)CCCC O=C([O-])CC(C(=O)[O-])CC(=O)OC(CC(C)CC(O)CCCCC(O)CC(O)C(NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC)C)C(OC(=O)CC(C(=O)[O-])CC(=O)[O-])C(C)CCCC is major species at pH 7.3. Its functional parent is fumonisin B1 . It is also related to or classified as tetracarboxylic acid anion .
The molecule CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O is a UDP-N-acetyl-D-mannosamine in which the anomeric centre of the pyranose fragment has alpha-configuration. It is a conjugate acid of an UDP-N-acetyl-alpha-D-mannosamine(2-).
The molecule [H]C(=O)N(C[C@@H]1CNC2=C(N1)C(=O)NC(N)=N2)C1=CC=C(C=C1)C(=O)N[C@@H](CCC(O)=O)C(O)=O [H]C(=O)N(C[C@@H]1CNC2=C(N1)C(=O)NC(N)=N2)C1=CC=C(C=C1)C(=O)N[C@@H](CCC(O)=O)C(O)=O is A 10-formyltetrahydrofolic acid that has S-configuration at position 6. It is a conjugate acid of (6S)-10-formyltetrahydrofolate(2-) . It is also related to or classified as 10-formyltetrahydrofolic acid  .
The molecule CCCC(C)CCC is a branched C8 alkane, comprising heptane with a methyl group attached at C-4. It has been found in Amaranth seeds. It has a role as a plant metabolite.
The molecule CC1=CC(=NC(=N1)SCNC(=O)C2=CC=C(C=C2)Cl)C CC1=CC(=NC(=N1)SCNC(=O)C2=CC=C(C=C2)Cl)C is 4-chloro-N-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]benzamide. It is also related to or classified as organohalogen compound  . It is also related to or classified as carbonyl compound .
The molecule CC\C=C/CCCCCCCCCC(=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 CC\C=C/CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 is tetraanion of cis-tetradec-11-enoyl-CoA arising from deprotonation of phosphate and diphosphate functions. It is also related to or classified as monounsaturated fatty acyl-CoA(4-)  . It is also related to or classified as (11Z)-Delta(11)-fatty acyl-CoA(4-)  .
The molecule CCOC(=O)C1=C(N=C(S1)N2C(=O)C(C(=N2)C)N=NC3=CC=CC(=C3)C)C CCOC(=O)C1=C(N=C(S1)N2C(=O)C(C(=N2)C)N=NC3=CC=CC(=C3)C)C is 4-methyl-2-[3-methyl-4-(3-methylphenyl)azo-5-oxo-4H-pyrazol-1-yl]-5-thiazolecarboxylic acid ethyl ester. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule [O-]C(=O)CCc1ccccc1 [O-]C(=O)CCc1ccccc1 is A monocarboxylic acid anion that is the conjugate base of 3-phenylpropionic acid, obtained by deprotonation of the carboxy group. It has the role of plant metabolite . It has the role of human metabolite . It is also related to or classified as monocarboxylic acid anion  .
The molecule C[C@H]1CC2=CC(=C(C=C2C(=O)[C@@H]1C)O)OC is a lignan that is 3,4-dihydronaphthalen-1(2H)-one substituted by a hydroxy group at position 7, a methoxy group at position 6 and methyl groups at positions 2 and 3 (the 2R,3S-stereoisomer). It has been isolated from the bark of Machilus robusta. It has a role as a plant metabolite. It is a member of tetralins, a lignan and a member of guaiacols.
The molecule C[C@H](CCC(=C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CC[C@@H]([C@H]4CO)O)C)C is a 3beta-sterol that is 24-methylidenelophenol in which the methyl group at position 4 has been oxidised to the corresponding hydroxymethyl group. It is a 3beta-hydroxy steroid, a 3beta-sterol and a Delta(7)-sterol. It derives from a 24-methylidenelophenol. It derives from a hydride of a stigmastane.
The molecule [H]C(=O)N(C[C@H]1CNC2=C(N1)C(=O)NC(N)=N2)C1=CC=C(C=C1)C(=O)N[C@@H](CCC(O)=O)C(O)=O [H]C(=O)N(C[C@H]1CNC2=C(N1)C(=O)NC(N)=N2)C1=CC=C(C=C1)C(=O)N[C@@H](CCC(O)=O)C(O)=O is A 10-formyltetrahydrofolic acid that has R-configuration at position 6. It is a conjugate acid of (6R)-10-formyltetrahydrofolate(2-) . It is also related to or classified as 10-formyltetrahydrofolic acid  .
The molecule C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O[C@H]2[C@H](O[C@@H]([C@@H]([C@H]2O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)CO)O)O)O is a trisaccharide that is alpha-D-galactopyranose in which the hydroxy groups at positions 3 and 4 have been converted into the corresponding alpha-D-glucopyranosyl and beta-L-fucopyranosyl derivatives, respectively. It derives from an alpha-D-Glcp-(1->3)-alpha-D-Galp and a beta-L-Fucp-(1->4)-alpha-D-Galp.