anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CCCCCCCCCCCCCCCC/C=C\\OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\\C/C=C\\CCCCC is a 1-(alk-1-enyl)-2-acyl-sn-glycero-3-phosphoethanolamine in which the alkenyl and acyl groups are specified asas (1Z)-octadecenyl and linoleoyl respectively. It has a role as a mouse metabolite. It derives from a linoleic acid. It is a tautomer of a 1-(1Z-octadecenyl)-2-linoleoyl-sn-glycero-3-phosphoethanolamine zwitterion.
The molecule CC1=C(C2=CC3=C(C(=C([N-]3)C=C4[C@@](C(=O)C(=N4)C=C5[C@@](C(=O)C(=N5)C=C1[N-]2)(C)CC(=O)[O-])(C)CC(=O)[O-])C)/C=C/C(=O)[O-])CCC(=O)[O-].[Fe] is a cyclic tetrapyrrole anion arising from deprotonation of the four carboxy groups of ferroheme d1; major species at pH 7.3. It is a cyclic tetrapyrrole anion and a tetracarboxylic acid anion. It is a conjugate base of a ferroheme d1.
The molecule C1COCCN1C(=O)C[C@H]2C=C[C@@H]([C@H](O2)CO)NC(=O)C3=CC(=CC=C3)F C1COCCN1C(=O)C[C@H]2C=C[C@@H]([C@H](O2)CO)NC(=O)C3=CC(=CC=C3)F is 3-fluoro-N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-(4-morpholinyl)-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]benzamide. It is also related to or classified as organohalogen compound  . It is also related to or classified as carbonyl compound .
The molecule O=C1C2=C(C(=O)[C@H]3[C@@]1(O3)C/C=C(/C(=O)O)\C)C4O[C@H]([C@@H]2[C@@H]5[C@H](OC=C6[C@@]45C(=O)[C@]7(O[C@H]7C6=O)C/C=C(/C(=O)O)\C)CCCCC)CCCCC O=C1C2=C(C(=O)[C@H]3[C@@]1(O3)C/C=C(/C(=O)O)\C)C4O[C@H]([C@@H]2[C@@H]5[C@H](OC=C6[C@@]45C(=O)[C@]7(O[C@H]7C6=O)C/C=C(/C(=O)O)\C)CCCCC)CCCCC is Torreyanic acid. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC is Di-n-octyl phthalate.  It is also related to or classified as diester  . It is also related to or classified as phthalate ester .
The molecule CCCCCCCCCOC1=CC2=C(C=C1)NC=C2CCN.C(=O)(C(=O)O)O is an oxalate salt obtained by reaction of 5-nonyloxytryptamine with one equivalent of oxalic acid. 5-HT1B selective agonist, several times more potent than sumatriptan and inactive as a 5-HT1A agonist (Ki at 5-HT1B = 1 nM, selectivity over 5-HT1A > 300-fold). It has a role as a serotonergic agonist. It contains a 5-nonyloxytryptaminium(1+).
The molecule CC/C=C\\C[C@@H](C/C=C/1\\[C@H](C=CC1=O)C/C=C\\CCCC(=O)[O-])O is a prostaglandin carboxylic acid anion that is the conjugate base of Delta(12)-prostaglandin J3. obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of a Delta(12)-prostaglandin J3.
The molecule CCN(N=O)C(N)=O CCN(N=O)C(N)=O is A member of the class of N-nitrosoureas that is urea in which one of the nitrogens is substituted by ethyl and nitroso groups. It has the role of alkylating agent . It has the role of mutagen . It has the role of genotoxin . It has the role of carcinogenic agent . Its functional parent is urea . It is also related to or classified as N-nitrosoureas .
The molecule C1CC(CCC1C2=CC=C(C=C2)Cl)C3=C(C4=CC=CC=C4C(=O)C3=O)O is a naphthoquinone compound having a 4-(4-chlorophenyl)cyclohexyl group at the 2-position and a hydroxy substituent at the 3-position. It has a role as an antimalarial, an antifungal agent, an EC 1.3.5.2 [dihydroorotate dehydrogenase (quinone)] inhibitor, an EC 1.6.5.3 [NADH:ubiquinone reductase (H(+)-translocating)] inhibitor and an EC 1.10.2.2 (quinol--cytochrome-c reductase) inhibitor. It is a member of monochlorobenzenes and a hydroxy-1,4-naphthoquinone.
The molecule O=C1N[C@H](C(=O)N2[C@]1(O)CCC2)CC3=CC=CC=C3 O=C1N[C@H](C(=O)N2[C@]1(O)CCC2)CC3=CC=CC=C3 is Cyclo(L-6-Hyp-L-Phe). Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OCCN3CCCCC3)C4=CC=CC=C4 is a carboxylic ester resulting from the formal condensation of 3-methylflavone-8-carboxylic acid with 2-(1-piperidinyl)ethanol. It has a role as a parasympatholytic, a muscarinic antagonist and an antispasmodic drug. It is a member of piperidines, a member of flavones, a carboxylic ester and a tertiary amino compound. It derives from a 3-methylflavone-8-carboxylic acid and a 2-(piperidin-1-yl)ethanol. It is a conjugate base of a flavoxate(1+).
The molecule C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=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=NC=C3)[C@H](C)CO)C)CN(C)C is N-[(3S,9R,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]-4-pyridinecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCCCCCCCCCCCCCCCCCCCCCCC(=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)COP(=O)(O)OC3[C@@H]([C@H](C([C@H]([C@H]3O)O)O)O)O)O)O)O)O)O)O)O)[C@@H](CCCCCCCCCCCCCCCCC)O is an inositol phosphomannosylinositol phosphoceramide compound having an inositol 1-phosphoryl group linked to the mannose residue and a tetracosanoyl group amide-linked to a C20 sphinganine base, with no hydroxylation at C-4 of the long-chain base or on the C24 very-long-chain fatty acid. It derives from a Man-1-2-Ins-1-P-Cer(d20:0/24:0).
The molecule C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C)C(=O)N(C[C@H]1OC)C)C)CC3=NC=CS3 C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C)C(=O)N(C[C@H]1OC)C)C)CC3=NC=CS3 is N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-thiazolylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@H]([C@@H](CN([C@H](CO2)C)C(=O)C3CC3)C)OC)C CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@H]([C@@H](CN([C@H](CO2)C)C(=O)C3CC3)C)OC)C is N-[(5S,6R,9S)-8-[cyclopropyl(oxo)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C1=CC=C2C(=C1)C(=O)N(C2=O)[C@@H](CCC(=O)O)C(=O)O is a glutamic acid derivative that is L-glutamic acid in which the two hydrogens on the amino group are substituted by a phthaloyl group. It is a member of phthalimides and a L-glutamic acid derivative. It derives from a phthalimide.
The molecule O=C1C(C(=O)NC(=O)C[C@@H](C(=O)O)C)=CNC(=C1)/C=C\CCCCCCCCC(=O)O O=C1C(C(=O)NC(=O)C[C@@H](C(=O)O)C)=CNC(=C1)/C=C\CCCCCCCCC(=O)O is Himeic acid E. It is also related to or classified as long-chain fatty acid  .
The molecule CCOP(=S)(OCC)Oc1cc(C)nc(n1)C(C)C CCOP(=S)(OCC)Oc1cc(C)nc(n1)C(C)C is A member of the class of  pyrimidines that is pyrimidine carrying an isopropyl group at position 2, a methyl group at position 6 and a (diethoxyphosphorothioyl)oxy group at position 4. It has the role of acaricide . It has the role of nematicide . It has the role of agrochemical . It has the role of xenobiotic . 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 environmental contaminant . Its functional parent is 2-isopropyl-6-methylpyrimidin-4-ol . It is also related to or classified as organic thiophosphate , pyrimidines .
The molecule CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O)OC(=O)CCCCCCC/C=C\\C/C=C\\CCCCC is a CDP-diacylglycerol(2-) obtained by deprotonation of the diphosphate OH groups of CDP-1-stearoyl-2-linoleoyl-sn-glycerol; major species at pH 7.3. It has a role as a human metabolite. It is a conjugate base of a CDP-1-stearoyl-2-linoleoyl-sn-glycerol.
The molecule CC(=CCC1=C(C2=C(C=C1O)OC[C@@H]3[C@H]2OC4=C(C(=C(C=C34)O)OC)CC=C(C)C)OC)C is a member of the class of pterocarpans that is (6aR,11aR)-pterocarpan substituted by hydroxy groups at positions 3 and 8, methoxy groups at positions 1 and 9 and prenyl groups at positions 2 and 10. Isolated from the roots of Lespedeza floribunda, it acts as a melanin synthesis inhibitor. It has a role as a melanin synthesis inhibitor and a plant metabolite. It is an aromatic ether, a member of phenols and a member of pterocarpans.
The molecule C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3CCC3)C(=O)N(C[C@@H]1OC)C)C)C(=O)NC(C)C C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3CCC3)C(=O)N(C[C@@H]1OC)C)C)C(=O)NC(C)C is (5R,6R,9R)-14-[[cyclobutyl(oxo)methyl]amino]-5-methoxy-3,6,9-trimethyl-2-oxo-N-propan-2-yl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule O=C(OC)C(OC[C@H]1C(=C)CC[C@@H]2[C@@]1(CCC[C@]2(CO)C)C)C(C(=O)OC[C@]3([C@H]4[C@@]([C@H](C(=C)CC4)COC(C(=O)OC)[C@@H](C(=O)OC)CC(=O)O)(CCC3)C)C)CC(=O)O O=C(OC)C(OC[C@H]1C(=C)CC[C@@H]2[C@@]1(CCC[C@]2(CO)C)C)C(C(=O)OC[C@]3([C@H]4[C@@]([C@H](C(=C)CC4)COC(C(=O)OC)[C@@H](C(=O)OC)CC(=O)O)(CCC3)C)C)CC(=O)O is Cryptoporic acid E. Its functional parent is pentacarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule C([C@H](CC1=CC=CC=C1)NC([C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H]3N(CCC3)C([C@@H](NC([C@H](CCCNC(=N)N)NC([C@H](CCCNC(N)=N)NC([C@H](C)NC([C@H]([C@H](CC)C)N)=O)=O)=O)=O)CC4=CN=CN4)=O)=O)(=O)O C([C@H](CC1=CC=CC=C1)NC([C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H]3N(CCC3)C([C@@H](NC([C@H](CCCNC(=N)N)NC([C@H](CCCNC(N)=N)NC([C@H](C)NC([C@H]([C@H](CC)C)N)=O)=O)=O)=O)CC4=CN=CN4)=O)=O)(=O)O is an 8 amino acid oligopeptide fragment of kinetensin lacking the C-terminal L-leucine residue. It has the role of histamine releasing agent . It has the role of human metabolite . It is also related to or classified as oligopeptide  .
The molecule CCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=C(C=C3)F is the monocarboxylic acid amide resulting from the formal condensation of the aryl amino group of N-(4-fluorophenyl)-1-(2-phenylethyl)piperidin-4-amine with propanoic acid. It is a member of piperidines, an organofluorine compound and a monocarboxylic acid amide.
The molecule CCO[C@H]1[C@]23CCC[C@@]([C@@H]2CC(=O)C4=CC(=C(C=C34)O)C(C)C)(CO1)C is an abietane diterpenoid isolated from the stem bark of Fraxinus sieboldiana. It has a role as a plant metabolite. It is an abietane diterpenoid, a cyclic ether, a tetracyclic diterpenoid and a cyclic terpene ketone.
The molecule C[C@@H]1CC(=O)[C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O is a dTDP-sugar having 3-dehydro-4,6-dideoxy-alpha-D-glucose as the sugar component. It is a dTDP-sugar and a secondary alpha-hydroxy ketone. It is a conjugate acid of a dTDP-3-dehydro-4,6-dideoxy-alpha-D-glucose(2-).
The molecule CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)O)Cl is a biphenylyltetrazole that is losartan with the hydroxymethyl group at position 5 on the imidazole ring replaced with a carboxylic acid. It has a role as a metabolite. It is a biphenylyltetrazole, a member of imidazoles and an organochlorine compound. It derives from a losartan.
The molecule CCCCCCCCCCCCC\C=C\C(=O)[C@@H](N)CO CCCCCCCCCCCCC\C=C\C(=O)[C@@H](N)CO is A sphingoid that is the 3-keto analogue of sphingosine. Its functional parent is sphingosine . Its functional parent is sphing-4-enine .  It is also related to or classified as sphingoid  . It is also related to or classified as enone  . It is also related to or classified as amino alcohol , beta-hydroxy ketone .
The molecule C1CC2=C(C=C(C=C2O[C@@H]1C3=CC(=C(C=C3)O)O)O)O is a tetrahydroxyflavan in which the four hydroxy groups are located at positions 3', 4', 5 and 7. It has a role as a plant metabolite. It derives from a hydride of a (2S)-flavan.
The molecule OC(C(CC(O)=O)C(O)=O)C(O)=O OC(C(CC(O)=O)C(O)=O)C(O)=O is A tricarboxylic acid that is propan-1-ol with a hydrogen at each of the 3 carbon positions replaced by a carboxy group. It has the role of fundamental metabolite . It is a conjugate acid of isocitrate(1-) .  It is also related to or classified as secondary alcohol  . It is also related to or classified as tricarboxylic acid .
The molecule C[C@H]1[C@@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H]3CSC[C@@H]4C(=O)N[C@@H](CS1)C(=O)N[C@@H](CNCCCC[C@H](NC(=O)[C@@H]([C@@H](SC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N4)CCC(=O)N)CCCNC(=N)N)N)C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC3=O)[C@H](C(=O)O)O)CC(=O)N)C(=O)O)C(=O)N[C@H](C(=O)NCC(=O)N5CCC[C@H]5C(=O)N[C@H](C(=O)N2)CC6=CC=CC=C6)CC7=CC=CC=C7)C(C)C)CC8=CC=CC=C8 is a type B lantibiotic consisting of a 19 amino acid tetracyclic polypeptide produced by Streptomyces cinnamoneus. It is a heterodetic cyclic peptide, a macrocycle, a type B lantibiotic and a L-cysteine thioether.
The molecule O1C(C1C(O)=O)(C)C O1C(C1C(O)=O)(C)C is dimethyloxirane-2-carboxylic acid. It is also related to or classified as epoxide  . It is also related to or classified as carboxylic acid  .
The molecule C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3F)C(=O)N(C[C@H]1OC)C)C)CC4CC4 C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3F)C(=O)N(C[C@H]1OC)C)C)CC4CC4 is N-[(5S,6R,9R)-8-(cyclopropylmethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-fluorobenzamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule [H+].[Cl-].Cc1cc2cc3cc(C)c(N)cc3nc2cc1N [H+].[Cl-].Cc1cc2cc3cc(C)c(N)cc3nc2cc1N is acridine yellow. It has the role of fluorochrome . It is also related to or classified as hydrochloride , aminoacridines .
The molecule O=C1C2=C(O)C3=C(C=C(C)O[C@@H]3CCC)C=C2C(=O)C=C1[C@H]4OC(CO)[C@H]([C@H]4O)O O=C1C2=C(O)C3=C(C=C(C)O[C@@H]3CCC)C=C2C(=O)C=C1[C@H]4OC(CO)[C@H]([C@H]4O)O is Anhydroexfoliamycin. It is also related to or classified as glycoside  . It is also related to or classified as benzochromenone .
The molecule C1COc2ccccc2OCCOCCOc2ccccc2OCCO1 C1COc2ccccc2OCCOCCOc2ccccc2OCCO1 is A crown ether that is 18-crown-6 ortho-fused to two benzene rings at positions 8-9 and 17-18. It has the role of phase-transfer catalyst . It is also related to or classified as benzenes , crown ether .
The molecule C1=C(C(=C(N=C1Cl)C(=O)O)Cl)N is an organochlorine pesticide having a 3,6-dichlorinated 4-aminopicolinic acid structure. It has a role as a herbicide. It is an organochlorine pesticide, a member of pyridines and an aromatic amine. It derives from a picolinic acid.
The molecule C1[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC=C(C=C3)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)OC(=O)C6=CC(=C(C(=C6C7=C(C(=C(C=C7C(=O)O1)O)O)O)O)O)O is a beta-D-glucoside compound having a a hexahydroxydiphenoyl (HHDP) group bridging over positions 4 and 6, galloyl groups at positions 2 and 3 and a 4-hydroxyphenyl substituent at the 1-position. Isolated from Eugenia hyemalis, it exhibits inhibitory activity against HIV-1. It has a role as a metabolite and an EC 3.1.26.13 (retroviral ribonuclease H) inhibitor. It is a beta-D-glucoside and a gallate ester. It derives from a hydroquinone O-beta-D-glucopyranoside.
The molecule CC/C=C\\C[C@H]1C(=C/C=C\\CCCCCCCC(=O)[O-])O1 is an unsaturated fatty acid anion resulting from the removal of a proton from the carboxy group of (9Z,13S,15Z)-12,13-epoxyoctadeca-9,11,15-trienoic acid. It is a long-chain fatty acid anion and a polyunsaturated fatty acid anion. It derives from a 9,11,15-octadecatrienoate. It is a conjugate base of a (9Z,13S,15Z)-12,13-epoxyoctadeca-9,11,15-trienoic acid.
The molecule O=C1[C@](OC[C@@]2([C@]1([C@@H]3[C@H](C[C@@H](C)CC3)C=C2)C)O)(O)C O=C1[C@](OC[C@@]2([C@]1([C@@H]3[C@H](C[C@@H](C)CC3)C=C2)C)O)(O)C is Oblongolide U. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule CCCN1C[C@H]([C@H](CN(C(=O)C2=C(C=C(C=C2)NC(=O)NC3=C(ON=C3C)C)OC[C@H]1C)C)OC)C CCCN1C[C@H]([C@H](CN(C(=O)C2=C(C=C(C=C2)NC(=O)NC3=C(ON=C3C)C)OC[C@H]1C)C)OC)C is 1-(3,5-dimethyl-4-isoxazolyl)-3-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-propyl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC(C)c1nc(C)cc(O)n1 CC(C)c1nc(C)cc(O)n1 is A hydroxypyrimidine that is pyrimidine substituted by an isopropyl group at position 2, a methyl group at position 6 and a hydroxy group at position 4. It is also related to or classified as hydroxypyrimidine .
The molecule C[C@H]1CC[C@H]2[C@@H]1[C@@H](OC=C2C(=O)[O-])O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O is a monocarboxylic acid anion that is the conjugate base of 7-deoxyloganic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of a 7-deoxyloganic acid.
The molecule [C@H]1([C@H](C([C@H]([C@H](C1OP(=O)(O)O)O)O)OP(=O)(O)O)O)O is a myo-inositol bisphosphate. It has a role as a mouse metabolite. It derives from a myo-inositol. It is a conjugate acid of a 1D-myo-inositol 1,4-bisphosphate(4-).
The molecule CCOS(C)(=O)=O CCOS(C)(=O)=O is A methanesulfonate ester resulting from the formal condensation of methanesulfonic acid with ethanol. It has the role of alkylating agent . It has the role of mutagen . It has the role of antineoplastic agent . It has the role of genotoxin . It has the role of carcinogenic agent . It has the role of teratogenic agent . It is also related to or classified as methanesulfonate ester  .
The molecule O=C/1N[C@H](C(=O)N\C1=C/C=2C3=C(C=C4C(O[C@H](CC4=C3)C(O)(C)C)(C)C)NC2C(C=C)(C)C)C O=C/1N[C@H](C(=O)N\C1=C/C=2C3=C(C=C4C(O[C@H](CC4=C3)C(O)(C)C)(C)C)NC2C(C=C)(C)C)C is Variecolorin K. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C[C@@H]1C(=O)N(C[C@@H]2[C@H](CC[C@H](O2)CCOC3=C(C=CC=C3C(=O)N1C)C#N)OC)C C[C@@H]1C(=O)N(C[C@@H]2[C@H](CC[C@H](O2)CCOC3=C(C=CC=C3C(=O)N1C)C#N)OC)C is LSM-12084. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C1=C(NC=N1)/C=C/C(=O)[O-] is an monocarboxylic acid anion that is the conjugate base of urocanic acid. It has a role as a human metabolite. It is a conjugate base of a urocanic acid.
The molecule C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)C(=O)C3CCCCC3 C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)C(=O)C3CCCCC3 is N-[[(3S,9R,10R)-16-(dimethylamino)-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-9-yl]methyl]-N-methylcyclohexanecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)OCCCCC2=CC=CC=C2)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O is a glycophytoceramide having a 4-O-(4-phenylbutyl)-alpha-D-galactosyl residue at the O-1 position and a hexacosanoyl group attached to the nitrogen. One of a series of an extensive set of 4"-O-alkylated alpha-GalCer analogues evaluated (PMID:30556652) as invariant natural killer T-cell (iNKT) antigens. It derives from an alpha-D-galactose.
The molecule S1S[C@H](C2=C(O)C(OC)=C(OC)C=C2)[C@@H]3C(N4[C@]1(C(=O)N3C)C[C@]5(O)[C@H](O)C=C[C@H]([C@@H]5O4)O)=O S1S[C@H](C2=C(O)C(OC)=C(OC)C=C2)[C@@H]3C(N4[C@]1(C(=O)N3C)C[C@]5(O)[C@H](O)C=C[C@H]([C@@H]5O4)O)=O is Pretrichodermamide C. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule CCCCOC(=O)c1ccccc1C(=O)OCCCC CCCCOC(=O)c1ccccc1C(=O)OCCCC is A phthalate ester that is the diester obtained by the formal condensation of the carboxy groups of phthalic acid with two molecules of  butan-1-ol. Although used extensively as a plasticiser, it is a ubiquitous environmental contaminant that poses a risk to humans. It has the role of metabolite . It has the role of teratogenic agent . It has the role of EC 3.2.1.20 (alpha-glucosidase) inhibitor . It has the role of environmental contaminant . It has the role of plasticiser . Its functional parent is butan-1-ol .  It is also related to or classified as diester  . It is also related to or classified as phthalate ester .
The molecule C1=CC=C(C=C1)CCC(=O)CCO is a beta-hydroxy ketone that is pentan-3-one with a hydroxy group at position 1 and a phenyl group at position 5. Isolated from the edible mushroom Mycoleptodonoides aitchisonii, it exhibits protective activity against endoplasmic reticulum (ER) stress-dependent cell death. It has a role as a metabolite and a neuroprotective agent. It is a beta-hydroxy ketone and a primary alcohol.
The molecule C/C=C/C1=CC2=C(C=C1)OC(=C2)C3=CC=C(C=C3)O is a member of the class of benzofurans that is 1-benzofuran substituted by a 4-hydroxyphenyl group at position 2 and a prop-1-en-1-yl group at position 5. It is a lignan derivative isolated from the roots of Krameria lappacea. It has a role as an anti-inflammatory agent, a cyclooxygenase 1 inhibitor, a cyclooxygenase 2 inhibitor, a plant metabolite and a NF-kappaB inhibitor. It is a member of benzofurans and a member of phenols.
The molecule C([C@H](CC(C)C)NC([C@H](CC1=CC=CC=C1)NC([C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H]3N(CCC3)C([C@@H](NC([C@H](CCCNC(=N)N)NC([C@H](CCCNC(N)=N)NC([C@H](C)NC([C@H]([C@H](CC)C)N)=O)=O)=O)=O)CC4=CN=CN4)=O)=O)=O)(=O)O C([C@H](CC(C)C)NC([C@H](CC1=CC=CC=C1)NC([C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H]3N(CCC3)C([C@@H](NC([C@H](CCCNC(=N)N)NC([C@H](CCCNC(N)=N)NC([C@H](C)NC([C@H]([C@H](CC)C)N)=O)=O)=O)=O)CC4=CN=CN4)=O)=O)=O)(=O)O is an oligopeptide comprising of nine amino acids with sequence L-Ile-L-Ala-L-Arg-L-Arg-L-His-L-Pro-L-Tyr-L-Phe-L-Leu. It was originally isolated from pepsin-treated human plasma and shares some sequence homology with the C-terminal end of neurotensin. It is a potent histamine releaser and may serve as an inflammatory mediator. It has the role of histamine releasing agent . It has the role of human metabolite . It is also related to or classified as oligopeptide  .
The molecule O1C(O)C(OC=2C=C(OC)C3=C(O)C=4CO[C@H](CC4C=C3C2)C)C(O)C(C1CO)OC O1C(O)C(OC=2C=C(OC)C3=C(O)C=4CO[C@H](CC4C=C3C2)C)C(O)C(C1CO)OC is 3-[[(3S)-10-hydroxy-9-methoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-7-yl]oxy]-6-(hydroxymethyl)-5-methoxyoxane-2,4-diol. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule CCCCCCCCCCCCCCC[C@H]([C@H](CO)NC(=O)CCCCCCCCCCCCCCC/C=C\\CCCCCCCC)O is a dihydroceramide in which the ceramide N-acyl group is specified as (17Z)-hexacosenoyl It has a role as a mouse metabolite. It derives from a (17Z)-hexacosenoic acid.
The molecule COP(=O)(OC)OC=C(Cl)Cl COP(=O)(OC)OC=C(Cl)Cl is an alkenyl phosphate that is the 2,2-dichloroethenyl ester of dimethyl phosphate. It has the role of antibacterial agent . It has the role of anthelminthic drug . It has the role of antifungal 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 is also related to or classified as dialkyl phosphate , organophosphate insecticide , alkenyl phosphate , organochlorine acaricide .
The molecule CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O is pantetheine 4'-phosphate with D (R) configuration at the 2' position. It has a role as a prosthetic group. It is a conjugate acid of a D-pantetheine 4'-phosphate(2-).
The molecule C(C[C@@H](C(=O)O)NC(=O)C[C@@H](C(=O)O)N)CN=C(N)N is a dipeptide consisting of an L-aspartyl residue attached to L-arginine via the beta-carboxy group. It is a tautomer of a beta-Asp-Arg zwitterion.
The molecule [H][C@@]12C[C@H](O)[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](O)CC[C@]12C [H][C@@]12C[C@H](O)[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](O)CC[C@]12C is A 3alpha-hydroxy steroid that is androst-5-ene carrying three additional hydroxy groups at positions 3alpha, 16beta and 17beta. It is also related to or classified as 16beta-hydroxy steroid  .  It is also related to or classified as 17beta-hydroxy steroid  . It is also related to or classified as 3alpha-hydroxy steroid  . It is also related to or classified as triol .