anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C[C@H]([NH3+])C(=O)N[C@@H](C)C([O-])=O C[C@H]([NH3+])C(=O)N[C@@H](C)C([O-])=O is A dipeptide zwitterion resulting from the transfer of a proton from the carboxy to the amino group of Ala-Ala; major species at pH 7.3. It is also related to or classified as dipeptide zwitterion  .
The molecule Br.Br.O=NC=C1C=CN(C=C1)CCCN2C=CC(=CN=O)C=C2 Br.Br.O=NC=C1C=CN(C=C1)CCCN2C=CC(=CN=O)C=C2 is trimedoxime bromide. It has the role of cholinesterase reactivator . It has the role of antidote to organophosphate poisoning . It is also related to or classified as organic molecular entity .
The molecule C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)O)O)O)N is an amino cyclitol glycoside that is 2-deoxystreptamine in which the pro-R hydroxy group is substituted by a 6-amino-6-deoxy-alpha-D-glucosyl residue. It has a role as an antimicrobial agent. It derives from a 2-deoxystreptamine. It is a conjugate acid of a 2'-deamino-2'-hydroxyneamine(3+).
The molecule FC=1C=CC=CC1NC2=NC3=NON=C3N=C2NC=4C=CC=CC4F FC=1C=CC=CC1NC2=NC3=NON=C3N=C2NC=4C=CC=CC4F is an organic heterobicyclic compound that is [1,2,5]oxadiazolo[3,4-b]pyrazine substituted by (2-fluorophenyl)amino groups at positions 5 and 6. It is a mitochondrial protonophore uncoupler that is a potential treatment for obesity and sepsis. It has the role of geroprotector . It has the role of renoprotective agent . It has the role of antiparasitic agent . It has the role of antineoplastic agent . It has the role of anti-inflammatory agent . It has the role of apoptosis inducer . It has the role of anti-obesity agent .    It is also related to or classified as monofluorobenzenes  . It is also related to or classified as organic heterobicyclic compound , substituted aniline , secondary amino compound .
The molecule C1CC(C1)CNC[C@H]2[C@@H]([C@@H](N2C(=O)CC3=CN=CC=C3)CO)C4=CC=CC=C4 C1CC(C1)CNC[C@H]2[C@@H]([C@@H](N2C(=O)CC3=CN=CC=C3)CO)C4=CC=CC=C4 is 1-[(2R,3S,4R)-2-[(cyclobutylmethylamino)methyl]-4-(hydroxymethyl)-3-phenyl-1-azetidinyl]-2-(3-pyridinyl)ethanone. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule C=1(C(=C2C(C3=C(C=C(O)C(C([O-])=O)=C3C)C(C2=C(O)C1[O-])=O)=O)O)[C@@H]4O[C@@H]([C@H](C([C@H]4O)=O)O)CO C=1(C(=C2C(C3=C(C=C(O)C(C([O-])=O)=C3C)C(C2=C(O)C1[O-])=O)=O)O)[C@@H]4O[C@@H]([C@H](C([C@H]4O)=O)O)CO is major species at pH 7.3. It is also related to or classified as monocarboxylic acid anion  . It is also related to or classified as phenolate anion .
The molecule OC1=CC=C2NC=C(CC(=O)C([O-])=O)C2=C1 OC1=CC=C2NC=C(CC(=O)C([O-])=O)C2=C1 is A 2-oxo monocarboxylic acid anion that is the conjugate base of 3-(5-hydroxyindol-3-yl)pyruvic acid resulting from the deprotonation of the carboxy group; Major species at pH 7.3. Its functional parent is pyruvate . It is also related to or classified as 2-oxo monocarboxylic acid anion  .
The molecule C1=CC2=C(C=CC(=C2N=O)[O-])C=C1S(=O)(=O)[O-].C1=CC2=C(C=CC(=C2N=O)[O-])C=C1S(=O)(=O)[O-].C1=CC2=C(C=CC(=C2N=O)[O-])C=C1S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Fe+3] is an organic sodium salt composed of iron(3+), sodium and 5-(oxidoimino)-6-oxo-5,6-dihydronaphthalene-2-sulfonate ions in a 1:1:3 ratio. Used to stain collagen and animal tissue. It has a role as a histological dye. It is an organic sodium salt and an iron coordination entity. It contains a 5-(oxidoimino)-6-oxo-5,6-dihydronaphthalene-2-sulfonate.
The molecule COCC(=O)N1C[C@@H]2[C@H]([C@@H](N2C(=O)C1)CO)C3=CC=C(C=C3)C#CC4CC4 COCC(=O)N1C[C@@H]2[C@H]([C@@H](N2C(=O)C1)CO)C3=CC=C(C=C3)C#CC4CC4 is (6S,7R,8R)-7-[4-(2-cyclopropylethynyl)phenyl]-8-(hydroxymethyl)-4-(2-methoxy-1-oxoethyl)-1,4-diazabicyclo[4.2.0]octan-2-one. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule O=[NH+]C=C1C=CN(C=C1)COCN2C=CC(C=C2)=C[NH+]=O O=[NH+]C=C1C=CN(C=C1)COCN2C=CC(C=C2)=C[NH+]=O is obidoxime. It has the role of cholinesterase reactivator . It is also related to or classified as organic molecular entity .
The molecule C[C@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)CCN3CCOCC3)O[C@@H]1CN(C)CC4=CC(=C(C=C4)Cl)Cl)[C@@H](C)CO C[C@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)CCN3CCOCC3)O[C@@H]1CN(C)CC4=CC(=C(C=C4)Cl)Cl)[C@@H](C)CO is N-[(2S,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide. Its functional parent is beta-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C1[C@@]2([C@@]([C@@]3(C(C1)=CC(CC3)=O)C)(CC[C@@]4([C@@](CC[C@@]24[H])(O)C(CO)=O)CO)[H])[H] C1[C@@]2([C@@]([C@@]3(C(C1)=CC(CC3)=O)C)(CC[C@@]4([C@@](CC[C@@]24[H])(O)C(CO)=O)CO)[H])[H] is 18-hydroxy-11-deoxycortisol.   It is also related to or classified as 3-oxo steroid  . It is also related to or classified as deoxycortisol , 18-hydroxy steroid .
The molecule C[C@@]1(CC[C@@H]2[C@@]1(C=CC3=C4CCC(=O)C=C4CC[C@@H]23)C)O is a synthetic non-aromatisable androgen and anabolic steroid. It binds strongly to the androgen receptor and has therefore also been used as an affinity label for this receptor in the prostate and in prostatic tumors. It has a role as an androgen. It is an anabolic androgenic steroid, a 17beta-hydroxy steroid and a 3-oxo steroid. It derives from a hydride of an estrane.
The molecule [Gd++] [Gd++] is gadolinium(2+).  It is also related to or classified as monoatomic dication  . It is also related to or classified as gadolinium cation , divalent metal cation , elemental gadolinium .
The molecule S([O-])(=O)(=O)CCC[Si](C)(C)C.[Na+] S([O-])(=O)(=O)CCC[Si](C)(C)C.[Na+] is 1-Propanesulfonic acid, 3-(trimethylsilyl)- (sodium salt). It has the role of NMR chemical shift reference compound . It is also related to or classified as organosulfonic acid  .
The molecule C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)O is a hydroxy monocarboxylic acid that is lactic acid substituted by a 1H-indol-3-yl group at position 3. It is a metabolite of tryptophan. It has a role as a human metabolite. It is an indol-3-yl carboxylic acid and a hydroxy monocarboxylic acid. It derives from a rac-lactic acid. It is a conjugate acid of a 3-(indol-3-yl)lactate.
The molecule CC(=C)C(CCC(C)=O)CC(O)=O CC(=C)C(CCC(C)=O)CC(O)=O is A 6-oxo monocarboxylic acid that is heptanoic acid bearing isopropenyl and oxo substituents at positions 3 and 6 respectively. Its functional parent is heptanoic acid . It is a conjugate acid of 3-isopropenyl-6-oxoheptanoate . It is also related to or classified as 6-oxo monocarboxylic acid .
The molecule C[C@@](CC1=CC=C(OP(O)(O)=O)C(O)=C1)(NN)C(O)=O C[C@@](CC1=CC=C(OP(O)(O)=O)C(O)=C1)(NN)C(O)=O is an L-tyrosine derivative that is carbidopa in which the hydroxy group at position 4' is replaced by a phosphonooxy group. It is a water-soluble prodrug of carbidopa which is used for the treatment of Parkinson's disease. It has the role of antiparkinson drug . It has the role of prodrug . Its functional parent is carbidopa (anhydrous) . It is also related to or classified as O-phosphoamino acid , L-tyrosine derivative , non-proteinogenic L-alpha-amino acid .
The molecule C1CC1CC(=O)N2C[C@H]3[C@@H]([C@H](N3C(=O)C2)CO)C4=CC=C(C=C4)C#CC5=CC(=CC=C5)F C1CC1CC(=O)N2C[C@H]3[C@@H]([C@H](N3C(=O)C2)CO)C4=CC=C(C=C4)C#CC5=CC(=CC=C5)F is (6R,7S,8S)-4-(2-cyclopropyl-1-oxoethyl)-7-[4-[2-(3-fluorophenyl)ethynyl]phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule OC1=CNC2=C(O)C=CC(O)=C2C1=O OC1=CNC2=C(O)C=CC(O)=C2C1=O is A quinolone that is quinolin-4(1H)-one substituted by hydroxy groups at positions 3, 5, and 8. It is isolated from the sponge Aplysina aerophoba. It has the role of HIV-1 reverse transcriptase inhibitor . It has the role of animal metabolite . It has the role of marine metabolite . It is also related to or classified as quinolone , hydroxyquinoline .
The molecule CCN\\1C2=CC=CC=C2O/C1=C/C=C/C3=[N+](C4=CC=CC=C4O3)CC is the cationic form of a C3 cyanine dye having 3-ethyl-1,3-benzoxazol-2(3H)-yl units at each end. It has a role as a fluorochrome. It is a member of 1,3-benzoxazoles, a cyanine dye and a benzoxazolium ion.
The molecule BrC1=CC=2NC=C(CC3NC(=O)[C@H](NC3=O)CCCN=C(N)N)C2C=C1 BrC1=CC=2NC=C(CC3NC(=O)[C@H](NC3=O)CCCN=C(N)N)C2C=C1 is diketopiperazine Trp-Arg present in the deep-sea sponge Geodia barretti. It is also related to or classified as organic molecular entity .
The molecule C(CCC(CC(=O)[O-])=O)CCCC C(CCC(CC(=O)[O-])=O)CCCC is A 3-oxo monocarboxylic acid anion that is the conjugate base of 3-oxodecanoic acid, obtained by deprotonation of the carboxy group. It is also related to or classified as 3-oxo fatty acid anion  .
The molecule C[C@@]12CC[C@@H](C[C@H]1O)C(O2)(C)C is a cineole in which the 1,8-cineole skeleton is substituted at C-2 with a hydroxy group oriented endo (R configuration).
The molecule CC(C)C1=CC2=CC[C@@H]3[C@@]([C@H]2CC1)(CCC[C@@]3(C)C(=O)O)C is an abietane diterpenoid that is abieta-7,13-diene substituted by a carboxy group at position 18. It has a role as a plant metabolite. It is an abietane diterpenoid and a monocarboxylic acid. It is a conjugate acid of an abietate.
The molecule CC(C(C)=O)C(=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)=O)C(=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 an acyl-CoA(4-) that is the tetraanion of 2-methylacetoacetyl-CoA, arising from deprotonation of phosphate and diphosphate functions. It has the role of human metabolite . It is also related to or classified as acyl-CoA(4-)  .
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]3C[C@@]4([C@H](C[C@H]([C@H]5[C@]4(CC[C@@H]5[C@](C)(CCC=C(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)O)[C@@]7([C@@H]3C([C@H](CC7)O)(C)C)C)C)CO)O)O)O)O)O is a ginsenoside found in Panax ginseng that is dammarane which is substituted by hydroxy groups at the 3beta, 6alpha, 12beta and 20 pro-S positions, in which the hydroxy groups at positions 6 and 20 have been converted to the corresponding alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranoside and beta-D-glucopyranoside respectively, and in which a double bond has been introduced at the 24-25 position. It has a role as a plant metabolite, an antioxidant, a neuroprotective agent, an anti-inflammatory agent, an antineoplastic agent and a nephroprotective agent. It is a 12beta-hydroxy steroid, a 3beta-hydroxy steroid, a beta-D-glucoside, a ginsenoside, a tetracyclic triterpenoid, a disaccharide derivative and a 3beta-hydroxy-4,4-dimethylsteroid. It derives from a hydride of a dammarane.
The molecule BrC1=CC(C/C(=N\O)/C(=O)NCCC=2NC(=NC2)N)=CC(Br)=C1OC BrC1=CC(C/C(=N\O)/C(=O)NCCC=2NC(=NC2)N)=CC(Br)=C1OC is bromotyrosine derivative found in Aiolochroia crassa, Stryphnus fortis. It is also related to or classified as organic molecular entity .
The molecule CN(C)S(=O)(=O)C1=CC=C(C=C1)OP(=S)(OC)OC is an organic thiophosphate and an organothiophosphate insecticide. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor, an agrochemical and an anthelminthic drug. It derives from a 4-hydroxy-N,N-dimethylbenzenesulfonamide.
The molecule Cl[Gd](Cl)Cl Cl[Gd](Cl)Cl is gadolinium trichloride. It has the role of TRP channel blocker . It is also related to or classified as gadolinium coordination entity .
The molecule CC(C)N(C[C@H]1[C@@H]([C@@H](N1S(=O)(=O)C)CO)C2=CC=CC=C2)C(=O)CN(C)C CC(C)N(C[C@H]1[C@@H]([C@@H](N1S(=O)(=O)C)CO)C2=CC=CC=C2)C(=O)CN(C)C is 2-(dimethylamino)-N-[[(2R,3S,4R)-4-(hydroxymethyl)-1-methylsulfonyl-3-phenyl-2-azetidinyl]methyl]-N-propan-2-ylacetamide. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule C1[C@@]2([C@@]3([C@]([C@]4([C@](CC3)([C@H](CC4)C(CO)=O)C)[H])(CCC2=CC(C1)=O)[H])[H])CO C1[C@@]2([C@@]3([C@]([C@]4([C@](CC3)([C@H](CC4)C(CO)=O)C)[H])(CCC2=CC(C1)=O)[H])[H])CO is 19-hydroxy-11-deoxycorticosterone. It is also related to or classified as 19-hydroxydeoxycorticosterone  .  It is also related to or classified as 3-oxo-Delta(4) steroid  . It is also related to or classified as 20-oxo steroid , 21-hydroxy steroid .
The molecule CC(=CCC1=C(C=CC(=C1O)C2COC3=C(C2=O)C=CC(=C3)O)O)C is a hydroxyisoflavanone that is 2,3-dihydroneobavaisoflavone with an additional hydroxy group at position 2'. Isolated from Erythrina lysistemon, it exhibits anti-HIV activity. It has a role as a metabolite and an anti-HIV agent. It derives from a neobavaisoflavone.
The molecule Cl.O=NC=C1C=CN(C=C1)CN2C=CC(C=C2)=C[NH+]=O Cl.O=NC=C1C=CN(C=C1)CN2C=CC(C=C2)=C[NH+]=O is methoxime. It has the role of cholinesterase reactivator . It is also related to or classified as organic molecular entity .
The molecule C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3CCCCC3)[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)NC(=O)NC3CCCCC3)[C@H](C)CO)C)CN(C)C(=O)NC4=CC=C(C=C4)F is 1-[[(3R,9R,10R)-16-[[(cyclohexylamino)-oxomethyl]amino]-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]-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 C1[C@@]2([C@@]3([C@]([C@]4([C@](CC3)([C@H](CC4)C(CO)=O)CO)[H])(CCC2=CC(C1)=O)[H])[H])C C1[C@@]2([C@@]3([C@]([C@]4([C@](CC3)([C@H](CC4)C(CO)=O)CO)[H])(CCC2=CC(C1)=O)[H])[H])C is 18-hydroxydeoxycorticosterone.    It is also related to or classified as 3-oxo-Delta(4) steroid  . It is also related to or classified as 21-hydroxy steroid , 18-hydroxy steroid , 20-oxo steroid .
The molecule C1=CC(=CC(=C1)N)C(=O)O is an aminobenzoic acid carrying an amino group at position 3. It derives from a benzoic acid. It is a conjugate acid of a 3-aminobenzoate.
The molecule C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)C)[C@H](C)CO)C)CN(C)CC4CCCCC4 C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)C)[C@H](C)CO)C)CN(C)CC4CCCCC4 is N-[(3S,9S,10S)-9-[[cyclohexylmethyl(methyl)amino]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-methylbenzenesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C1COCCN1CC(=O)N2CC3(C2)[C@@H]([C@@H](N3CC4=CC=C(C=C4)F)CO)C5=CC=CC=C5 C1COCCN1CC(=O)N2CC3(C2)[C@@H]([C@@H](N3CC4=CC=C(C=C4)F)CO)C5=CC=CC=C5 is 1-[(2R,3R)-1-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]-2-(4-morpholinyl)ethanone. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule FC(F)(F)C1=C(C=NC=C1)C#N FC(F)(F)C1=C(C=NC=C1)C#N is 4-(Trifluoromethyl)nicotinonitrile. It is also related to or classified as nitrile  . It is also related to or classified as pyridines .
The molecule C1=CC(=CC=C1N=NC2=C(C3=C(C(=C(C=C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])N=NC4=CC=C(C=C4)S(=O)(=O)CCOS(=O)(=O)[O-])N)O)S(=O)(=O)CCOS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+] is a bis(azo) compound with two aryldiazenyl moieties placed at positions 2 and 7 of a multi-substituted naphthalene. It has a role as a dye. It is a bis(azo) compound, a sulfone and an organic sodium salt. It contains a remazole black-GR (4-).
The molecule NCCCNC\C=C\CN NCCCNC\C=C\CN is an N-(3-aminopropyl)but-2-ene-1,4-diamine having a trans-double bond. It is also related to or classified as N-(3-aminopropyl)but-2-ene-1,4-diamine  .
The molecule ClC=1SC(C(OC(C)(C)C)=O)=CN1 ClC=1SC(C(OC(C)(C)C)=O)=CN1 is Tert-butyl 2-chloro-1,3-thiazole-5-carboxylate. It is also related to or classified as aromatic carboxylic acid , thiazoles .
The molecule CC\\1=C(/C(=C/C2=C(C(=C(N2)/C=C\\3/C(=C(C(=O)N3)C)C=C)C)CCC(=O)[O-])/N/C1=C\\C4=NC(=O)C(=C4C)C=C)CCC(=O)[O-] is dicarboxylate anion of biliverdin; major species at pH 7.3. It has a role as a human metabolite. It is a linear tetrapyrrole anion and a dicarboxylic acid dianion. It is a conjugate base of a biliverdin.
The molecule [Gd+4] [Gd+4] is gadolinium(4+).  It is also related to or classified as monoatomic tetracation  . It is also related to or classified as gadolinium cation , elemental gadolinium .
The molecule O=C1C2=C(O)C(=CC=C2C(=O)C3=C1C=C[C@]4([C@@]3(O[C@@H]5O[C@H]([C@@H](O)CC5)C)C(=O)C[C@@](O)(C)C4)O)[C@@H]6O[C@@H]([C@@H](O)[C@@H](C6)O[C@@H]7O[C@H]([C@@H](O)CC7)C)C O=C1C2=C(O)C(=CC=C2C(=O)C3=C1C=C[C@]4([C@@]3(O[C@@H]5O[C@H]([C@@H](O)CC5)C)C(=O)C[C@@](O)(C)C4)O)[C@@H]6O[C@@H]([C@@H](O)[C@@H](C6)O[C@@H]7O[C@H]([C@@H](O)CC7)C)C is OM-4842.  It is also related to or classified as glycoside  . It is also related to or classified as anthraquinone .
The molecule CC(C)=CCC\C(C)=C/CC\C(C)=C/COP(O)(=O)OP(O)(O)=O CC(C)=CCC\C(C)=C/CC\C(C)=C/COP(O)(=O)OP(O)(O)=O is 2-cis,6-cis-farnesyl diphosphate. It is a conjugate acid of 2-cis,6-cis-farnesyl diphosphate(3-) . It is also related to or classified as farnesyl diphosphate  .
The molecule C[C@@]1(CC(=O)C2=C(C=C(C=C2O1)O)O)[C@H]3CCC(=O)O3 is an organic heterobicyclic compound that is 2,3-dihydro-4H-chromen-4-one substituted by hydroxy groups at positions 5 and 7, a methyl group at position 2 and a 5-oxotetrahydrofuran-2-yl group at position 2. Isolated from the endophytic fungus Microdiplodia species, it exhibits antibacterial activity. It has a role as a metabolite and an antibacterial agent. It is a chromanone, an organic heterobicyclic compound, a butan-4-olide and a member of resorcinols.
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)CCC(F)(F)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)CCC(F)(F)F is N-[[(3R,9S,10S)-16-(benzenesulfonamido)-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]-4,4,4-trifluoro-N-methylbutanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule S1C(=NC(=C1)C(O)=O)C=2SC=CC2 S1C(=NC(=C1)C(O)=O)C=2SC=CC2 is 2-(2-Thienyl)-1,3-thiazole-4-carboxylic acid. It is also related to or classified as aromatic carboxylic acid , thiazoles .
The molecule CC(C)CN is an alkylamine having isobutyl as the alkyl group. It has been isolated from Sambucus nigra (Elderberry). It has a role as a plant metabolite. It is a conjugate base of a 2-methylpropanaminium.
The molecule NCCCCNC(=O)CC[C@H](N)C(O)=O NCCCCNC(=O)CC[C@H](N)C(O)=O is gamma-L-glutamylputrescine. It has the role of Escherichia coli metabolite . It is also related to or classified as L-glutamine derivative , gamma-glutamylputrescine , non-proteinogenic L-alpha-amino acid .
The molecule OC(=O)\C=C\C=C OC(=O)\C=C\C=C is the (E)-isomer of penta-2,4-dienoic acid. It is also related to or classified as penta-2,4-dienoic acid  .
The molecule C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)O)O)O)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@H]3[C@@H]([C@H]([C@@H]4[C@H](O3)CO[C@](O4)(C)C(=O)O)O)NC(=O)C)O is an amino trisaccharide consisting of beta-L-rhamnose at the reducing end having a 4,6-O-[(1S)-1-carboxyethylidene]-N-acetyl-beta-D-glucosaminyl-(1->3)-alpha-D-galactosyl group attached at the 4-position. It is an amino trisaccharide, a carbohydrate derivative and a cyclic ketal.
The molecule [H][C@@]12CCC(=C)[C@H](CC\C(C)=C\C(O)=O)[C@@]1(C)CCC(O)C2(C)C [H][C@@]12CCC(=C)[C@H](CC\C(C)=C\C(O)=O)[C@@]1(C)CCC(O)C2(C)C is 3-hydroxylabda-8(20),13-dien-15-oic acid. It has the role of metabolite . It is also related to or classified as diterpenoid  .
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)O)O[C@@H]3[C@H](OC([C@@H]([C@H]3O)O)O)CO)CO)O)O)N[C@H]4C=C([C@H]([C@@H]([C@H]4O)O)O)CO is a tetrasaccharide derivative consisting of a dideoxy-4-{[4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl C7 cyclitol moiety [called valienol (or valienamine)] linked via nitrogen to isomaltotriose. It has a role as an EC 3.2.1.20 (alpha-glucosidase) inhibitor, an EC 3.2.1.1 (alpha-amylase) inhibitor and a hypoglycemic agent. It is a conjugate base of an acarbose(1+).
The molecule O=C1[C@]([C@@]2([C@@](CC1)(C=3C(CC2)=C(OC)C(=CC3O)C(C)C)C)[H])(CO)C O=C1[C@]([C@@]2([C@@](CC1)(C=3C(CC2)=C(OC)C(=CC3O)C(C)C)C)[H])(CO)C is A tricyclic diterpenoid having formula C21H30O4, originally isolated from Tripterygium wilfordii. It has the role of plant metabolite . 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 aromatic ether , cyclic ketone , tricyclic diterpenoid .
The molecule CC(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)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C1=CC(O)CC=C1 CC(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)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C1=CC(O)CC=C1 is an acyl-CoA(4-) that is the tetraanion of 3-hydroxycyclohexa-1,5-diene-1-carbonyl-CoA arising from deprotonation of phosphate and diphosphate functions. It is also related to or classified as acyl-CoA(4-)  .
The molecule CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@@H](CN([C@@H](CO2)C)C(=O)COC)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)COC)C)OC)C is N-[(5R,6R,9R)-5-methoxy-8-(2-methoxy-1-oxoethyl)-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 C[C@H]1[C@@H](C[C@H]([C@@H](O1)OCCCCC(=O)[O-])O)O is a hydroxy fatty acid ascaroside anion resulting from the deprotonation of the carboxy group of oscr#9. The conjugate base of oscr#9 and the major species at pH 7.3. It is a conjugate base of an oscr#9.
The molecule CC(=O)O[C@@H]1[C@H](OC([C@@H]1O)O)COP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O is a nucleotide-sugar oxoanion arising from deprotonation of the diphosphate OH groups of 3''-O-acetyl-ADP-D-ribose; major species at pH 7.3. It derives from an ADP-D-ribose(2-).
The molecule [H][C@@]1(OC[C@@H](O)[C@H]1c1ccc(O)cc1)[C@H](O)c1ccc(O)c(OC)c1 [H][C@@]1(OC[C@@H](O)[C@H]1c1ccc(O)cc1)[C@H](O)c1ccc(O)c(OC)c1 is Metasequirin F. It has the role of metabolite . It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule CCCCCC(=O)/C=C/C=C\\CCCCCCCC(=O)O is an oxooctadecadienoic acid that consists of 9Z,11E-octadecadienoic acid bearing an additional 13-keto substituent. In addtion it has been found as a natural product found in Carthamus oxyacantha. It has a role as a metabolite and a mouse metabolite. It derives from a 13-HODE. It is a conjugate acid of a 13-oxo-9Z,11E-ODE(1-).
The molecule CC1=CC[C@@H]2C(=C(C)C)CC[C@]2(CC1)C is a carbobicylic compound that is (8aS)-1,2,3,3a,4,5,8,8a-octahydroazulene substituted by a propan-2-ylidene, methyl and methyl groups at positions 1, 3aR and 6, respectively. It has a role as an Aspergillus metabolite. It is a sesquiterpene, a carbocyclic compound and a polycyclic olefin.
The molecule Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl is an aromatic ether that is phenol which is substituted at C-5 by a chloro group and at C-2 by a 2,4-dichlorophenoxy group. It is widely used as a preservative and antimicrobial agent in personal care products such as soaps, skin creams, toothpaste and deodorants as well as in household items such as plastic chopping boards, sports equipment and shoes. It has the role of EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitor . It has the role of fungicide . It has the role of antibacterial agent . It has the role of xenobiotic . It has the role of antimalarial . It has the role of EC 1.5.1.3 (dihydrofolate reductase) inhibitor . It has the role of persistent organic pollutant . It has the role of drug allergen . It is also related to or classified as dichlorobenzene  . It is also related to or classified as phenols  . It is also related to or classified as aromatic ether , monochlorobenzenes .