anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C(CCC)C[C@@H]([C@H](C/C=C\C/C=C\C/C=C\CCCC(O)=O)O)O C(CCC)C[C@@H]([C@H](C/C=C\C/C=C\C/C=C\CCCC(O)=O)O)O is A (5Z,8Z,11Z)-14,15-dihydroxyicosatrienoic acid in which the two stereocentres at positions 14 and 15 both have S-configuration. Its functional parent is arachidonic acid . It is a conjugate acid of (5Z,8Z,11Z,14S,15S)-14,15-dihydroxyicosatrienoate . It is also related to or classified as (5Z,8Z,11Z)-14,15-dihydroxyicosatrienoic acid  .
The molecule O1[C@H](CC(=O)C=C1CC=2C=C(OC)C=C(O)C2)C O1[C@H](CC(=O)C=C1CC=2C=C(OC)C=C(O)C2)C is Citreovirenone. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule CC(C[N+](C)(C)C)SC(=O)C.[I-] is a quaternary ammonium salt that is the monoiodide salt of acetyl-beta-methylthiocholine. It is a quaternary ammonium salt, an organic iodide salt and a thioester. It contains an acetyl-beta-methylthiocholine.
The molecule [H][C@@]12[C@H](C[C@@H](C)[C@H](C=O)[C@]1(O)[C@](C)(CC2(C)C)C=O)OC(C)=O [H][C@@]12[C@H](C[C@@H](C)[C@H](C=O)[C@]1(O)[C@](C)(CC2(C)C)C=O)OC(C)=O is A cytotoxic fungal metabolite isolated from plant tissues infected by phytopathogen Botrytis cinerea. It has the role of mycotoxin . It is also related to or classified as dialdehyde .
The molecule OCC1OC(C(O)C(O)C1O)N1C=C(CC2=CC=C(C=C2)C2CC2)C2=C(F)C=CC=C12 OCC1OC(C(O)C(O)C1O)N1C=C(CC2=CC=C(C=C2)C2CC2)C2=C(F)C=CC=C12 is A fluoroindole that is 1H-indole substituted by a beta-D-glucopyranosyl, 4-cyclopropylbenzyl, and fluoro groups at positions 1, 3 and 4, respectively. It is a highly potent and selective SGLT2 inhibitor, with antihyperglycemic effects in high-fat diet-fed KK mice. It has the role of hypoglycemic agent . It has the role of sodium-glucose transport protein subtype 2 inhibitor .  It is also related to or classified as N-glycosyl compound  . It is also related to or classified as fluoroindole , benzenes , cyclopropanes .
The molecule C(CCC)C/C=C\C[C@@H]([C@H](C/C=C\C/C=C\CCCC(O)=O)O)O C(CCC)C/C=C\C[C@@H]([C@H](C/C=C\C/C=C\CCCC(O)=O)O)O is A (5Z,8Z,14Z)-11,12-dihydroxyicosatrienoic acid in which the two stereocentres at positions 11 and 12 both have S-configuration. Its functional parent is arachidonic acid . It is a conjugate acid of (5Z,8Z,11S,12S,14Z)-11,12-dihydroxyicosatrienoate . It is also related to or classified as (5Z,8Z,14Z)-11,12-dihydroxyicosatrienoic acid  .
The molecule CC(=O)N(C)N(C1=CC=CC=C1)C(=O)C(=O)N(C)C is a monocarboxylic acid amide that is N,N-dimethyl-2-oxoacetamide substituted by a 2-acetyl-2-methyl-1-phenylhydrazinyl group at position 2. It is a metabolite of the drug aminopyrine. It has a role as a marine xenobiotic metabolite and a drug metabolite. It is a carbohydrazide and a monocarboxylic acid amide.
The molecule O(C(=O)CCC(OC)=O)CC O(C(=O)CCC(OC)=O)CC is Ethyl methyl_succinate. It is also related to or classified as fatty acid methyl ester  .
The molecule [H]\C(C)=C1/CN2[C@@]3([H])C[C@]1([H])[C@@]([H])(CO)[C@]2([H])Cc1c3[nH]c2ccc(O)cc12 [H]\C(C)=C1/CN2[C@@]3([H])C[C@]1([H])[C@@]([H])(CO)[C@]2([H])Cc1c3[nH]c2ccc(O)cc12 is an indole alkaloid that is sarpagan bearing hydroxy groups at positions 10 and 17. It is also related to or classified as primary alcohol  . It is also related to or classified as phenols  . It is also related to or classified as indole alkaloid , secondary amino compound , tertiary amino compound .
The molecule CC1=C(NC(=O)N=C1)N is a pyrimidine that is a derivative of cytosine, having a methyl group at the 5-position. It has a role as a human metabolite. It is a member of pyrimidines and a methylcytosine. It derives from a cytosine.
The molecule CC(C)(COP(=O)([O-])[O-])[C@H](C(=O)NCCC(=O)[O-])O is an organophosphate oxoanion that is the trianion of (R)-5-phosphopantothenic acid arising from deprotonation of the carboxy and phosphate OH groups; major species at pH 7.3 It has a role as a human metabolite. It derives from a (R)-pantothenic acid. It is a conjugate base of a (R)-4'-phosphopantothenate(2-).
The molecule CC1=C(CCO1)SSC1=C(C)OCC1 CC1=C(CCO1)SSC1=C(C)OCC1 is A member of the class of  dihydrofurans that is disulfane in which both hydrogen's are substituted by 2-methyl-4,5-dihydrofuran-3-yl groups. It is a flavouring agent found in meat. It has the role of flavouring agent . It has the role of Maillard reaction product . It has the role of human metabolite . It is also related to or classified as organic disulfide  . It is also related to or classified as dihydrofuran .
The molecule [H]C(CCCCCCCCCCC)=C([H])CCCCC(O)=O [H]C(CCCCCCCCCCC)=C([H])CCCCC(O)=O is an octadecenoic acid having a cis- or trans- double bond at position 6. It is also related to or classified as octadecenoic acid .
The molecule C(CCC)C/C=C\C[C@H]([C@@H](C/C=C\C/C=C\CCCC(O)=O)O)O C(CCC)C/C=C\C[C@H]([C@@H](C/C=C\C/C=C\CCCC(O)=O)O)O is A (5Z,8Z,14Z)-11,12-dihydroxyicosatrienoic acid in which the two stereocentres at positions 11 and 12 both have R-configuration. Its functional parent is arachidonic acid . It is a conjugate acid of (5Z,8Z,11R,12R,14Z)-11,12-dihydroxyicosatrienoate . It is also related to or classified as (5Z,8Z,14Z)-11,12-dihydroxyicosatrienoic acid  .
The molecule CC/C=C\\C[C@@H](/C=C/C=C\\C=C\\C=C\\[C@H]([C@H](C/C=C\\CCC(=O)[O-])O)O)O is a polyunsaturated fatty acid anion that is the conjugate base of resolvin D1, obtained by deprotonation of the carboxy group; major species at pH 7.3. It has a role as an anti-inflammatory agent. It is a hydroxy fatty acid anion and a polyunsaturated fatty acid anion. It is a conjugate base of a resolvin D1.
The molecule CCCCCCOC1=CC=C(Br)C(O)=C1F CCCCCCOC1=CC=C(Br)C(O)=C1F is A member of the class of phenols that is phenol substituted by fluoro, hexyloxy, and bromo groups at positions 2, 3, and 6, respectively. It is also related to or classified as phenols  .   It is also related to or classified as monofluorobenzenes  . It is also related to or classified as aromatic ether , bromobenzenes .
The molecule CCCCCCCCCCCCCCCCCC(=O)OCC(CSCC(=O)NCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[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)O)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)NC(=O)C)OC(=O)CCCCCCCCCCCCCCCCC is a monothioglycerolipid in which the parent monothioglycerol is esterified on O-1 and O-2 by stearoyl groups and on S-3 by a 2-[(2-{beta-D-Glcp-(1->4)-[beta-D-Glcp-(1->4)-beta-D-Glcp-(1->6)]-beta-D-GlcpNAc-1-O-yl}ethyl)amino]-2-oxoethyl group It is a glycerolipid, an amino tetrasaccharide, a monothioglycerolipid, a carboxylic ester and an organosulfur compound.
The molecule C(=O)(C)C1=CC=CC(=C1)C(=O)N C(=O)(C)C1=CC=CC(=C1)C(=O)N is A methyl ketone that is benzamide in which one of the meta hydrogens has been replaced by an acetyl group. It is a bacterial secondary metabolite from actinomycete strain WA23-4-4 isolated from the intestinal tract of Periplaneta americana (American cockroach), it shows significant antifungal activity against Candida albicans ATCC 10231 and Aspergillus niger ATCC 16404 but is less active against Trichophyton rubrum ATCC 60836 and Aspergillus fumigatus ATCC 96918. It has the role of antifungal agent . It has the role of bacterial metabolite . It is also related to or classified as primary carboxamide  . It is also related to or classified as benzamides , methyl ketone , aromatic ketone .
The molecule CNC(=O)C1=C(C)OC2=C1C=CC(OC1=NC=NC3=C1C=C(OC)C(OC)=C3)=C2 CNC(=O)C1=C(C)OC2=C1C=CC(OC1=NC=NC3=C1C=C(OC)C(OC)=C3)=C2 is A member of the class of quinazolines that is quinazoline substituted by [2-methyl-3-(methylcarbamoyl)-1-benzofuran-6-yl]oxy, methoxy, and methoxy groups at positions 4, 6, and 7, respectively. It is a highly potent and selective inhibitor of VEGFR 1, 2 and 3 (IC50 = 33, 0.35, and 35 nM) used for the treatment of metastatic colorectal cancer. It has the role of antineoplastic agent . It has the role of EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor . It has the role of vascular endothelial growth factor receptor antagonist . It is also related to or classified as secondary carboxamide  . It is also related to or classified as aromatic ether , quinazolines , 1-benzofurans .
The molecule CCC[C@H]([NH2+][C@H]1CCC2=CC(F)=CC(F)=C2C1)C(=O)NC1=CN(C=N1)C(C)(C)C[NH2+]CC(C)(C)C CCC[C@H]([NH2+][C@H]1CCC2=CC(F)=CC(F)=C2C1)C(=O)NC1=CN(C=N1)C(C)(C)C[NH2+]CC(C)(C)C is A secondary ammonium ion resulting from the protonation of the two secondary amino groups of nirogacestat; Major species at pH 7.3. It is a conjugate acid of nirogacestat . It is also related to or classified as secondary ammonium ion  .
The molecule CCCCC\C=C/CC(O)C(O)C\C=C/C\C=C/CCCC([O-])=O CCCCC\C=C/CC(O)C(O)C\C=C/C\C=C/CCCC([O-])=O is A polyunsaturated fatty acid anion that is the conjugate base of (5Z,8Z,14Z)-11,12-dihydroxyicosatrienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as hydroxyicosatrienoate .
The molecule ON=CCS[C@H](CC([O-])=O)C([O-])=O ON=CCS[C@H](CC([O-])=O)C([O-])=O is major microspecies at pH 7.3. Its functional parent is succinate(2-) . It is also related to or classified as dicarboxylic acid anion .
The molecule CCCCCCCC[C@H]1[C@H](O1)CCCCCCCC(=O)[O-] is a 9,10-epoxyoctadecanoate that is the conjugate base of (9R,10S)-9,10-epoxyoctadecanoic acid arising from deprotonation of the carboxylic acid function; major species at pH 7.3. It is a conjugate base of a (9R,10S)-9,10-epoxyoctadecanoic acid. It is an enantiomer of a (9S,10R)-epoxyoctadecanoate.
The molecule CN(O)C=S CN(O)C=S is A thiocarbonyl compound that is ammonia in which the hydrogens are substituted by methyl, hydroxy, and carbonothioyl groups. It has the role of antibacterial agent . Its functional parent is N-hydroxymethanethioamide . It is also related to or classified as hydroxylamines , thiocarbonyl compound .
The molecule [H]C(CCC(C)(O)C=C)=C(C)CCC=C(C)C [H]C(CCC(C)(O)C=C)=C(C)CCC=C(C)C is A farnesane sesquiterpenoid that is dodeca-1,6,10-triene which carries methyl groups at positions 3, 7 and 11 and a hydroxy group at position 3. It is a natural product that is present in various flowers and plants with a floral odor. Chemically, it exists in two geometric isomers, trans and cis forms. It is widely used in cosmetics (e.g. shampoos and perfumes), in non-cosmetic products (e.g. detergents and cleansers) and also as a food flavoring agent. It has the role of antioxidant . It has the role of herbicide . It has the role of insect attractant . It has the role of pheromone . It has the role of volatile oil component . It has the role of flavouring agent . It has the role of antihypertensive agent . It has the role of antifungal agent . It has the role of neuroprotective agent . It has the role of cosmetic . It has the role of anti-inflammatory agent .  It is also related to or classified as tertiary allylic alcohol  . It is also related to or classified as volatile organic compound , farnesane sesquiterpenoid .
The molecule CCCCC/C=C\\C/C=C\\C[C@H]([C@@H](C/C=C\\CCCC(=O)[O-])O)O is a (5Z,11Z,14Z)-8,9-dihydroxyicosatrienoate obtained by deprotonation of the carboxy group of (5Z,8R,9R,11Z,14Z)-8,9-dihydroxyicosatrienoic acid; major species at pH 7.3. It is a conjugate base of a (5Z,8R,9R,11Z,14Z)-8,9-dihydroxyicosatrienoic acid. It is an enantiomer of a (5Z,8S,9S,11Z,14Z)-8,9-dihydroxyicosatrienoate.
The molecule OC1=C(O)C=C2CNCCC2=C1 OC1=C(O)C=C2CNCCC2=C1 is an isoquinolinol that is 1,2,3,4-tetrahydroisoquinoline substituted by hydroxy groups at positions 6 and 7. It is present in the dopamine-rich areas of the human brain, including the substantia nigra. It has the role of apoptosis inducer . It has the role of animal metabolite . It has the role of marine metabolite . It has the role of human metabolite . It is also related to or classified as isoquinolinol .
The molecule C(CCC)C[C@H]([C@@H](C/C=C\C/C=C\C/C=C\CCCC(O)=O)O)O C(CCC)C[C@H]([C@@H](C/C=C\C/C=C\C/C=C\CCCC(O)=O)O)O is A (5Z,8Z,11Z)-14,15-dihydroxyicosatrienoic acid in which the two stereocentres at positions 14 and 15 both have R-configuration. Its functional parent is arachidonic acid . It is a conjugate acid of (5Z,8Z,11Z,14R,15R)-14,15-dihydroxyicosatrienoate . It is also related to or classified as (5Z,8Z,11Z)-14,15-dihydroxyicosatrienoic acid  .
The molecule CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2[C@H]([C@H](OC([C@@H]2O)O)CO)O)CO)O)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O is an amino trisaccharide consisting of beta-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose and D-galactopyranose residues joined in sequence by (1->3) glycosidic bonds. It is an oligosaccharide, an amino trisaccharide and a member of acetamides. It derives from a beta-D-GlcpNAc-(1->3)-D-Galp and a beta-D-Galp-(1->3)-beta-D-GlcpNAc.
The molecule P(=O)([O-])(OC[C@H]([C@H]([C@H](COP(=O)([O-])OC[C@H]([C@H]([C@H](CO)O)O)O)O)O)O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@@H]1O)CO)O)NC(C)=O P(=O)([O-])(OC[C@H]([C@H]([C@H](COP(=O)([O-])OC[C@H]([C@H]([C@H](CO)O)O)O)O)O)O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@@H]1O)CO)O)NC(C)=O is major microspecies at pH 7.3. It is also related to or classified as carbohydrate phosphate .
The molecule Cc1cn([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)O[C@H]3OC(C)(C)[C@H](O)[C@@H](O)[C@H]3O)O2)c(=O)[nH]c1=O Cc1cn([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)O[C@H]3OC(C)(C)[C@H](O)[C@@H](O)[C@H]3O)O2)c(=O)[nH]c1=O is A dTDP-sugar having 5,5-di-C-methyl-beta-L-lyxose as the sugar component. It is a conjugate acid of dTDP-5,5-di-C-methyl-beta-L-lyxose(2-) . It is also related to or classified as dTDP-sugar  .
The molecule C[C@H](CC[C@H](C(C)(C)O)O)[C@H]1CC[C@@]2([C@@]1(C[C@H]([C@@]3([C@H]2CC=C4[C@H]3CC[C@@H](C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)O)C)C is a mogroside that is mogrol in which the hydroxyl hydrogen at position 3 has been replaced by a beta-D-glucosyl residue. It has a role as a plant metabolite. It is a mogroside, a beta-D-glucoside and a monosaccharide derivative. It derives from a mogrol.
The molecule O(C(CO)CO)C(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC O(C(CO)CO)C(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC is MG(0:0/18:4(6Z,9Z,12Z,15Z)/0:0).  It is also related to or classified as 2-monoglyceride  . It is also related to or classified as polyunsaturated fatty ester .
The molecule CC(C)=CCC\C(C)=C\CCC(C)(O)C=C CC(C)=CCC\C(C)=C\CCC(C)(O)C=C is A nerolidol in which the double bond at position 6 adopts a trans-configuration. It is also related to or classified as nerolidol  .
The molecule CCCCCC(O)C(O)C\C=C/C\C=C/C\C=C/CCCC([O-])=O CCCCCC(O)C(O)C\C=C/C\C=C/C\C=C/CCCC([O-])=O is A polyunsaturated fatty acid anion that is the conjugate base of (5Z,8Z,11Z)-14,15-dihydroxyicosatrienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as hydroxy polyunsaturated fatty acid anion  . It is also related to or classified as long-chain fatty acid anion  . It is also related to or classified as icosanoid anion .
The molecule CNCC(C1=CC=CC=C1)O is an alkaloid that is ethanolamine having the phenyl group at the 1-position and a methyl group attached to the nitrogen. It has been isolated from Halostachys caspica. It has a role as a human metabolite and a plant metabolite. It is an alkaloid and a member of phenylethanolamines. It is a conjugate base of a N-methylphenylethanolaminium.
The molecule [3He] [3He] is the stable isotope of helium with relative atomic mass 3.016029. The least abundant (0.000137 atom percent) isotope of naturally occurring helium. It is also related to or classified as helium atom  .
The molecule O[C@]1([C@H](CCCC1)CNC)C2=CC(O)=CC=C2 O[C@]1([C@H](CCCC1)CNC)C2=CC(O)=CC=C2 is N,O-Didesmethyltramadol.  It is also related to or classified as alkylbenzene  . It is also related to or classified as ring assembly .
The molecule CCCCCCC[C@H](C(=O)O)O is a nine-carbon straight-chain (2R)-2-hydroxy monocarboxylic acid. It is a (2R)-2-hydroxy monocarboxylic acid and a 2-hydroxy fatty acid. It derives from a nonanoic acid. It is a conjugate acid of a (R)-2-hydroxynonanoate.
The molecule CCCCCC(=O)CC(O)=O CCCCCC(=O)CC(O)=O is A derivative of octanoic acid carrying a beta-oxo group; a possible metabolite of 2-octynoic acid. Its functional parent is octanoic acid . It is also related to or classified as 3-oxo fatty acid .
The molecule C(CCC)C/C=C\C/C=C\C[C@@H]([C@H](C/C=C\CCCC(O)=O)O)O C(CCC)C/C=C\C/C=C\C[C@@H]([C@H](C/C=C\CCCC(O)=O)O)O is A (5Z,11Z,14Z)-8,9-dihydroxyicosatrienoic acid in which the two stereocentres at positions 8 and 9 both have S-configuration. Its functional parent is arachidonic acid . It is a conjugate acid of (5Z,8S,9S,11Z,14Z)-8,9-dihydroxyicosatrienoate . It is also related to or classified as (5Z,11Z,14Z)-8,9-dihydroxyicosatrienoic acid  .
The molecule O(CCC1=CC=CC=C1)C(=O)C=2C(O)=CC=CC2 O(CCC1=CC=CC=C1)C(=O)C=2C(O)=CC=CC2 is Phenethyl salicylate. Its functional parent is salicylic acid . It is also related to or classified as phenols  . It is also related to or classified as benzoate ester .
The molecule C(CCCCCCCC(=O)O)CCCCCCC=O is an omega-oxo fatty acid derived from hexadecanoic acid. It has a role as a plant metabolite. It is an omega-oxo fatty acid, an aldehydic acid and a long-chain fatty acid. It derives from a hexadecanoic acid. It is a conjugate acid of a 16-oxohexadecanoate.
The molecule O1C(C(O)C(O)C(O)C1OC2=C(OC)C(O)=C3C(OC=C(C3=O)C=4C(OC)=CC=CC4)=C2)C O1C(C(O)C(O)C(O)C1OC2=C(OC)C(O)=C3C(OC=C(C3=O)C=4C(OC)=CC=CC4)=C2)C is 5,7-Dihydroxy-2',6-dimethoxyisoflavone 7-rhamnoside. It is also related to or classified as acrovestone  . It is also related to or classified as isoflavonoid .
The molecule CCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCCC is a phosphatidylglycerol 12:0 in which the acyl groups at C-1 and C-2 are both hexanoyl. It is a phosphatidylglycerol 12:0 and a hexanoate ester.
The molecule CC(=CCCO)C is a homoallylic alcohol that is 2-methylpent-2-ene in which a hydrogen of the methyl group at position 5 has been replaced by a hydroxy group. It has a role as a plant metabolite. It is a homoallylic alcohol and a primary alcohol.
The molecule CCC[C@H](N[C@H]1CCC2=CC(F)=CC(F)=C2C1)C(=O)NC1=CN(C=N1)C(C)(C)CNCC(C)(C)C CCC[C@H](N[C@H]1CCC2=CC(F)=CC(F)=C2C1)C(=O)NC1=CN(C=N1)C(C)(C)CNCC(C)(C)C is A member of the class of imidazoles that is 1H-imidazole substituted by a 1-[(2,2-dimethylpropyl)amino]-2-methylpropan-2-yl group at position 1 and a {N-[(2S)-6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-L-norvalyl}amino group at position 4. It is a gamma-secretase inhibitor whose hydrobromide salt is indicated for adult patients with progressing desmoid tumours who require systemic treatment. It has the role of antineoplastic agent . It has the role of gamma-secretase modulator . It is also related to or classified as secondary carboxamide  .   It is also related to or classified as organofluorine compound  . It is also related to or classified as imidazoles , tetralins , secondary amino compound .
The molecule CCCCC\C=C/C\C=C/CC(O)C(O)C\C=C/CCCC([O-])=O CCCCC\C=C/C\C=C/CC(O)C(O)C\C=C/CCCC([O-])=O is A polyunsaturated fatty acid anion that is the conjugate base of (5Z,11Z,14Z)-8,9-dihydroxyicosatrienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as long-chain fatty acid anion  . It is also related to or classified as hydroxy fatty acid anion , icosanoid anion , polyunsaturated fatty acid anion .
The molecule O=C1C2=C3O[C@H]4O[C@](C3=CC=C2C(=O)C=5C1=C(O)C=6C(=CC(C)=CC6)C5)([C@H](O)[C@@H]([C@H]4O)N(C)C)C O=C1C2=C3O[C@H]4O[C@](C3=CC=C2C(=O)C=5C1=C(O)C=6C(=CC(C)=CC6)C5)([C@H](O)[C@@H]([C@H]4O)N(C)C)C is (1'S,2'R,3'R,4'R,5'R)-decilorene B. It is also related to or classified as quinone  . It is also related to or classified as tetracenes .
The molecule O=C1[C@@]23C(=O)N[C@H]([C@@H]2[C@H](C)C(=C[C@@H]3[C@H]4[C@@]5(C[C@@H](C[C@H]([C@H]4C1)O5)CO)C)C)CC(C)C O=C1[C@@]23C(=O)N[C@H]([C@@H]2[C@H](C)C(=C[C@@H]3[C@H]4[C@@]5(C[C@@H](C[C@H]([C@H]4C1)O5)CO)C)C)CC(C)C is 16-hydroxymethylaspergillin PZ. It has the role of fungal metabolite . It is also related to or classified as cytochalasin .
The molecule C/C/1=C\\CC[C@](/C=C/[C@H](CCC2=C[C@@H](C1)OC2=O)C(C)C)(C)O is a cembrane diterpenoid that is cembra-2E,7E,11Z-trien-20,10-olide substituted by a hydroxy group at position 4. It has been isolated from the leaves of Croton gratissimus. It has a role as a metabolite. It is a cembrane diterpenoid, a diterpene lactone, a macrocycle and a tertiary alcohol.
The molecule C1CC2=C(C=CC(=C2)F)O[C@H]1[C@@H](C[NH2+]C[C@H]([C@@H]3CCC4=C(O3)C=CC(=C4)F)O)O is an organic cation obtained by protonation of the secondary amino function of (S,R,R,R)-nebivolol. It is an ammonium ion derivative and an organic cation. It is a conjugate acid of a (S,R,R,R)-nebivolol. It is an enantiomer of a (R,S,S,S)-nebivolol(1+).
The molecule [Br-].CCC[N+](CCC)(CCC)CCC [Br-].CCC[N+](CCC)(CCC)CCC is A quarternary ammonium bromide salt in which the cation has four propyl substituents around the central nitrogen. It has the role of potassium channel blocker . It is also related to or classified as bromide salt , quaternary ammonium salt .
The molecule O=C(N[C@H](C(=O)NCC(O)=O)CC)CCC(=O)C(O)=O O=C(N[C@H](C(=O)NCC(O)=O)CC)CCC(=O)C(O)=O is A dipeptide that is N-[(2S)-2-aminobutanoyl]glycine in which the terminal amino group has been acylated by formal condensation of the 5-carboxy group of 2-oxopentanedioic acid. It is a conjugate acid of N-(4-carboxy-4-oxobutanoyl)-L-ethylglycylglycine(2-) . It is also related to or classified as secondary carboxamide  .  It is also related to or classified as dipeptide  . It is also related to or classified as oxo dicarboxylic acid .
The molecule CCCCCCCCC[C@@H]1[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O1)C)C)CC(C)C)C(C)C)C is an emericellamide derived from N-[(2R,3R)-3-hydroxy-2-methyldodecanoyl]glycyl-L-valyl-L-leucyl-L-alanyl-L-alanine by the formal intramolecular condensation of the alcoholic hydroxy group with the C-terminal carboxylic acid group.
The molecule C[C@@H]1C[C@H]1\C=C\[C@@H]1C[C@H]1[C@@H]1C[C@H]1[C@@H]1C[C@H]1[C@@H]1C[C@H]1\C=C\C=C\C(=O)NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1CCC(=O)NC1=O C[C@@H]1C[C@H]1\C=C\[C@@H]1C[C@H]1[C@@H]1C[C@H]1[C@@H]1C[C@H]1[C@@H]1C[C@H]1\C=C\C=C\C(=O)NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1CCC(=O)NC1=O is A polyketide that is 5'-amino-5'-deoxy-3,4,5,6-tetrahydrouridine in which one of the hydrogens of the amino group is substituted by a (1E,3E)-1-[(1R,1'R,1''R,1'''R,2S,2'R,2''R,2'''S)-2'''-{(E)-2-[(1R,2R)-2-methylcyclopropyl]ethenyl}[1,1':2',1'':2'',1'''-quater(cyclopropan)]-2-yl]-5-oxopenta-1,3-dien-5-yl group. It is a metabolite isolated from the bacterium, Streptoverticillium fervens and targets the catalytic subunit of the fungal UDP-glycosyltransferase, the first step in the biosynthesis of glycosylphosphatidylinositol (GPI) anchors. It exhibits broad spectrum antifungal activity against several pathogenic fungi including Mucorales. It has the role of antifungal agent . It has the role of bacterial metabolite . It is also related to or classified as secondary carboxamide  . It is also related to or classified as polyketide  . It is also related to or classified as cyclopropanes , nucleoside analogue , olefinic compound .
The molecule ClC1=CC=2NC=3[C@@]4([C@@]5([C@](O)(C6=CC(=O)[C@H]7[C@](OC(=O)C)(C)CO[C@@]6(O7)CC5)CC[C@H]4CC3C2C=C1)C)C ClC1=CC=2NC=3[C@@]4([C@@]5([C@](O)(C6=CC(=O)[C@H]7[C@](OC(=O)C)(C)CO[C@@]6(O7)CC5)CC[C@H]4CC3C2C=C1)C)C is Asperindole A. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule O=C(N[C@H](C(=O)NCC([O-])=O)CC)CCC(=O)C([O-])=O O=C(N[C@H](C(=O)NCC([O-])=O)CC)CCC(=O)C([O-])=O is A dicarboxylic acid dianion resulting from the deprotonation of both of the carboxy groups of N-(4-carboxy-4-oxobutanoyl)-L-ethylglycylglycine. The major species at pH 7.3. It is also related to or classified as dicarboxylic acid dianion  .
The molecule CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](/C=C/CCCCCCCC/C=C\\CCC)O is a ceramide obtained by formal condensation of the carboxy group of tricosanoic acid with the amino group of (4E,14Z)-sphinga-4,14-dienine. It has a role as a Papio hamadryas metabolite. It derives from a tricosanoic acid.