anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CNCCCC(O)=O CNCCCC(O)=O is A gamma-amino acid comprising that is GABA in which one of the hydrogens attached to the nitrogen is replaced by a methyl group. Its functional parent is gamma-aminobutyric acid . Its functional parent is butyric acid . It is a conjugate acid of 4-(methylamino)butyrate . It is also related to or classified as gamma-amino acid .
The molecule [H+].[H+].OC(C(CCC([O-])=O)C([O-])=O)C([O-])=O [H+].[H+].OC(C(CCC([O-])=O)C([O-])=O)C([O-])=O is homoisocitrate(1-). It is a conjugate acid of homoisocitrate(2-) . It is also related to or classified as tricarboxylic acid monoanion .
The molecule c1ccc2cccc2cc1 c1ccc2cccc2cc1 is A mancude carbobicyclic parent consisting of a cycloheptatriene and cyclopentadiene rings. It has the role of volatile oil component . It has the role of plant metabolite . It is also related to or classified as ortho-fused bicyclic arene , azulenes , mancude carbobicyclic parent .
The molecule C[C@H](CCCCCCCCC[C@@H](O)CC(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O C[C@H](CCCCCCCCC[C@@H](O)CC(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O is an (omega-1)-hydroxy fatty acid ascaroside that is ascr#24 in which the pro-R hydrogen that is beta to the carboxy group is replaced by a hydroxy group. It is a metabolite of the nematode Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite . Its functional parent is ascr#24 . Its functional parent is (3R,13R)-3,13-dihydroxymyristic acid . It is a conjugate acid of bhas#24(1-) . It is also related to or classified as monocarboxylic acid , 3-hydroxy carboxylic acid , (omega-1)-hydroxy fatty acid ascaroside .
The molecule C(\C=C/C=C/[C@@H](C/C=C\CC)O)=C/C=C/C(C(CCCC(=O)[O-])O)O C(\C=C/C=C/[C@@H](C/C=C\CC)O)=C/C=C/C(C(CCCC(=O)[O-])O)O is an icosanoid anion that is the conjugate base of (7E,9E,11Z,13E,15R,17Z)-5,6,15-trihydroxyicosapentaenoic 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 , lipoxin anion .
The molecule C[C@@]12CC[C@H](C([C@H]1CC[C@]3([C@H]2C[C@@]4(C(=C)[C@]3(C(=O)[C@@](C4=O)(C)O)C(=O)OC)C)C)(C)C)O is a meroterpenoid found in Penicillium rubrum and has been shown to exhibit inhibitory activity against caspase-1. It has a role as a cysteine protease inhibitor and a Penicillium metabolite. It is a carbopolycyclic compound, a cyclic terpene ketone, a meroterpenoid, a diol, a methyl ester, a beta-diketone and a tertiary alpha-hydroxy ketone.
The molecule CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CC(=O)C/C=C/CC=O)O is an acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3,8-dioxooct-5-enoic acid. It is an acyl-CoA and an aldehyde. It is a conjugate acid of a 3,8-dioxooct-5-enoyl-CoA(4-).
The molecule Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl is an organochlorine compound that is diphenylmethane in which each of the phenyl groups is substituted by chlorines at positions 2, 3, and 5, and by a hydroxy group at position 6. An antiseptic that is effective against Gram-positive organisms, it is used in soaps and creams for the treatment of various skin disorders. It is also used in agriculture as an acaricide and fungicide, but is not approved for such use within the European Union. It has the role of acaricide . It has the role of antibacterial agent . It has the role of antiseptic drug . It has the role of antifungal agrochemical .  It is also related to or classified as trichlorobenzene  . It is also related to or classified as polyphenol , bridged diphenyl fungicide .
The molecule [Br-].[Br-].CCCCN(CCCC)c1ccc(C=CC=CC=Cc2cc[n+](CCC[N+](CC)(CC)CC)cc2)cc1 [Br-].[Br-].CCCCN(CCCC)c1ccc(C=CC=CC=Cc2cc[n+](CCC[N+](CC)(CC)CC)cc2)cc1 is A quaternary ammonium salt A liphophilic dye consisting of a dication that is N,N-dibutyl-4-[6-(pyridin-4-yl)hexa-1,3,5-trien-1-yl]aniline in which the nitrogen of the pyridine moiety is substituted by a 3-(triethylammonio)propyl group and two bromide ions. It is used to selectively stain yeast vacuolar membranes with red fluorescence. It has the role of fluorochrome . It is also related to or classified as quaternary ammonium salt , organic bromide salt .
The molecule C([C@@H]1[C@H]([C@@H]([C@H](C(O1)OCC(CO)O)O)O)O)O is a glucosylglycerol consisting of a D-glucosyl residue attached at position 1 of glycerol via a glycosidic bond. It is a glucosylglycerol and a D-glucoside.
The molecule Oc1ncnc2[nH]ncc12 Oc1ncnc2[nH]ncc12 is A bicyclic structure comprising a pyrazole ring fused to a hydroxy-substituted pyrimidine ring. It has the role of antimetabolite . It has the role of EC 1.17.3.2 (xanthine oxidase) inhibitor . It has the role of gout suppressant . It has the role of radical scavenger . It is also related to or classified as organic heterobicyclic compound , nucleobase analogue .
The molecule C[C@H](\C=C(C)\C=C\C(=O)NO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)c1ccc(cc1)N(C)C C[C@H](\C=C(C)\C=C\C(=O)NO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)c1ccc(cc1)N(C)C is trichostatin C. Its functional parent is trichostatin A . It is also related to or classified as trichostatin  . It is also related to or classified as O-amino sugar .
The molecule CCCN(C)C[C@@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)N(C)C)O[C@@H](CCCCO1)C)[C@@H](C)CO)C CCCN(C)C[C@@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)N(C)C)O[C@@H](CCCCO1)C)[C@@H](C)CO)C is (3R,9S,10R)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC(=O)N[C@@H](CCCC(=O)OP(O)(O)=O)C(O)=O CC(=O)N[C@@H](CCCC(=O)OP(O)(O)=O)C(O)=O is an aminoacyl phosphate consisting of N-acetyl-L-2-aminoadipic acid having the phosphate group located at the 6-position. Its functional parent is L-2-aminoadipic acid . It is a conjugate acid of N-acetyl-L-2-aminoadipate 6-phosphate(3-) . It is also related to or classified as aminoacyl phosphate .
The molecule [W+5] [W+5] is tungsten(5+). It is also related to or classified as monoatomic pentacation  . It is also related to or classified as tungsten cation .
The molecule ClC(Cl)=CC#CCCC(C(=O)OC)C(NC(=O)C)CCC/C=C/CC(Cl)Cl ClC(Cl)=CC#CCCC(C(=O)OC)C(NC(=O)C)CCC/C=C/CC(Cl)Cl is Taveuniamide C. Its functional parent is beta-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C1C[C@H](CNC1)C(=O)N is the (3R)-enantiomer of nipecotamide. It is a conjugate base of a (R)-nipecotamide(1+). It is an enantiomer of a (S)-nipecotamide.
The molecule CCCC(C)\C=C(\C)C(=O)OC1C(C)OC(CC1(C)O)OC1CCC(OC2C(O)=C(C(C)=O)C(=O)C3(O)C(=O)C4=C(O)C5=C(C(C)=C4CC23O)C(=O)C(OC)=CC5=O)OC1C CCCC(C)\C=C(\C)C(=O)OC1C(C)OC(CC1(C)O)OC1CCC(OC2C(O)=C(C(C)=O)C(=O)C3(O)C(=O)C4=C(O)C5=C(C(C)=C4CC23O)C(=O)C(OC)=CC5=O)OC1C is an anthracycline antibiotic of formula C44H54O17 isolated from Streptomyces species. It directly binds to the human serine protease inhibitor B6 (SERPINB6), inducing autophagy and apoptosis. It has the role of autophagy inducer . It has the role of antineoplastic agent . It has the role of apoptosis inducer . It has the role of bacterial metabolite . It is also related to or classified as 1,4-benzoquinones  . It is also related to or classified as tertiary alpha-hydroxy ketone  .  It is also related to or classified as ether  . It is also related to or classified as enol  . It is also related to or classified as phenols  .   It is also related to or classified as enoate ester  . It is also related to or classified as carbohydrate-containing antibiotic , carbopolycyclic compound , anthracycline antibiotic , disaccharide derivative .
The molecule [C@H]1([C@@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)C(=O)[O-] [C@H]1([C@@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)C(=O)[O-] is alpha-D-talopyranuronate.  It is also related to or classified as monocarboxylic acid anion  . It is also related to or classified as carbohydrate acid anion .
The molecule C1(=O)NC(=NC2=C1[N+](=CN2[C@@H]3O[C@H](COP(OP(OP(OC[C@H]4O[C@H]([C@@H]([C@@H]4O)O)N5C=6N=C(NC(=O)C6N=C5)N)(=O)[O-])(=O)[O-])(=O)[O-])[C@@H](O)[C@H]3O)C)N C1(=O)NC(=NC2=C1[N+](=CN2[C@@H]3O[C@H](COP(OP(OP(OC[C@H]4O[C@H]([C@@H]([C@@H]4O)O)N5C=6N=C(NC(=O)C6N=C5)N)(=O)[O-])(=O)[O-])(=O)[O-])[C@@H](O)[C@H]3O)C)N is A 7-methyl guanosine (m7G) linked via an inverted 5'-5' triphosphate bridge to an guanosine ribonucleotide; major species at pH 7.3. It is also related to or classified as (N(7)-methyl 5'-triphosphoguanosine)-nucleoside(2-)  . It is also related to or classified as organophosphate oxoanion .
The molecule CCCCC[C@@H](OO)\C=C\C=C/C\C=C/C\C=C/CCCC([O-])=O CCCCC[C@@H](OO)\C=C\C=C/C\C=C/C\C=C/CCCC([O-])=O is A hydroperoxy fatty acid anion that is the conjugate base of 15(R)-HPETE, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as HPETE anion .
The molecule Cc1cc(Cl)cc(O)c1O Cc1cc(Cl)cc(O)c1O is A chlorocatechol that iscatechol in which the hydrogens at positions 3 and 5 have been replaced by methyl and chlorine, respectively. It is also related to or classified as chlorocatechol , methylcatechol , monochlorobenzenes .
The molecule CCCCC\C=C/C=C/C(O)CCCCCCCC(O)=O CCCCC\C=C/C=C/C(O)CCCCCCCC(O)=O is A HODE that consists of (10E,12Z)-octadecadienoic acid with the hydroxy substituent located at position 9. It has the role of mouse metabolite . It has the role of plant metabolite . It has the role of human metabolite . It is a conjugate acid of 9-HODE(1-) . It is also related to or classified as octadecadienoic acid , HODE .
The molecule C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1NC(=O)[C@H](CCNC(=O)CC[C@@H](C(=O)O)N)O)O)O[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)N)N is a butirosin that is butirosin B in which a gamma-L-glutamyl is attached to the amino group of the (S)-4-amino-2-hydroxybutyrate side-chain. It has a role as an antimicrobial agent. It derives from a neamine. It is a conjugate base of a gamma-L-glutamylbutirosin B(3+).
The molecule C[C@@H]1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)Cl is a phenylalanine derivative resulting from the formal condensation of the amino group of L-phenylalanine with the carboxy group of (3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carboxylic acid (ochratoxin alpha). It is among the most widely occurring food-contaminating mycotoxins, produced by Aspergillus ochraceus, Aspergillus carbonarius and Penicillium verrucosum. It has a role as a calcium channel blocker, a mycotoxin, a nephrotoxin, a carcinogenic agent, a teratogenic agent, an Aspergillus metabolite and a Penicillium metabolite. It is a phenylalanine derivative, an organochlorine compound, a member of isochromanes, a monocarboxylic acid amide and a N-acyl-L-phenylalanine. It derives from an ochratoxin alpha.
The molecule C(=C/CCCCCCCCC)\CC\C=C\[C@@H](O)[C@@H](NC(=O)CCCCCCCCCCCCCCC)CO C(=C/CCCCCCCCC)\CC\C=C\[C@@H](O)[C@@H](NC(=O)CCCCCCCCCCCCCCC)CO is (4E,8E)-N-hexadecanoylsphinga-4,8-dienine. It is also related to or classified as N-acyl-sphinga-4,8-dienine  . It is also related to or classified as N-acylsphingoid  .
The molecule O1CC(CC2=C1C=C(O)C=C2)C=3C(OC)=CC(OC)=C(OC)C3 O1CC(CC2=C1C=C(O)C=C2)C=3C(OC)=CC(OC)=C(OC)C3 is 7-Hydroxy-2',4',5'-trimethoxyisoflavan. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)F)[C@H](C)CO)C)CNC C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)F)[C@H](C)CO)C)CNC is 1-(4-fluorophenyl)-3-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC1=CC(=O)C2=C(C=C3C(=C2O1)C(=O)C4=C(C(=C(C=C4C3=O)O)Cl)O)O is a naphthochromene that is 4H-naphtho[2,3-h]chromene-4,7,12-trione substituted by a chloro group at position 10, hydroxy groups at positions 5, 9 and 11 and a methyl group at position 2. It is isolated from a fungal strain Phoma sp.BAUA2861 and acts as an inhibitor of the enzyme topoisomerase I. It has a role as a metabolite, an EC 5.99.1.2 (DNA topoisomerase) inhibitor, an antiviral agent, an antineoplastic agent and an antimicrobial agent. It is an organochlorine compound, a naphthochromene, a member of phenols and a member of p-quinones.
The molecule C[N+]1=CN([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)N3C=NC4=C3N=CN=C4N)[C@@H](O)[C@H]2O)C2=C1C(=O)NC(N)=N2 C[N+]1=CN([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)N3C=NC4=C3N=CN=C4N)[C@@H](O)[C@H]2O)C2=C1C(=O)NC(N)=N2 is A guanosine 5'-phosphate that is 7-methyl-GTP(1+) in which the hydroxy group of the terminal phosphate is substituted by an adenosyl group. It is a cap analog that can be incorporated into mRNA. Its functional parent is 7-methyl-GTP(1+) . It is a conjugate acid of (N(7)-methyl 5'-triphospho-guanosine)-adenosine(2-) . It is also related to or classified as purine ribonucleoside 5'-triphosphate , adenosine 5'-phosphate , guanosine 5'-phosphate .
The molecule COC(=O)NC(N)=O COC(=O)NC(N)=O is A  carbamate ester obatined by the formal condensation of  urea-1-carboxylic acid with methanol. It has the role of metabolite . Its functional parent is urea-1-carboxylic acid . It is also related to or classified as carbamate ester , ureas .
The molecule CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@@H](/C=C/CCCCCCCCC(C)CC)O is a sphingomyelin 39:1 obtained by formal condensation of the carboxy group of docosanoic acid with the amino group of 14-methylhexadecasphingosine-1-phosphocholine. It is a metabolite of the nematode Caenorhabditis elegans. It has a role as a Caenorhabditis elegans metabolite. It derives from a 14-methylhexadecasphingosine and a docosanoic acid.
The molecule C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C(=CC=C3)O is a dihydroxyanthraquinone that is anthracene-9,10-dione substituted by hydroxy groups at positions 1 and 5. It derives from a hydride of an anthracene.
The molecule CCCCC\C=C/C=C/C(O)CCCCCCCC([O-])=O CCCCC\C=C/C=C/C(O)CCCCCCCC([O-])=O is A HODE(1-) that is the conjugate base of 9-HODE, obtained by deprotonation of the carboxy group; major species at pH 7.3. Its functional parent is linoleate . It is also related to or classified as HODE(1-) .
The molecule C1C=CN(C=C1C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)OP(=O)([O-])[O-])O)O)O is tetraanion of NADPH arising from deprotonation of the diphosphate and phosphate OH groups; major species at pH 7.3. It has a role as a human metabolite, a Saccharomyces cerevisiae metabolite, a hydrogen donor and a cofactor. It is a conjugate base of a NADPH.
The molecule OC1C[NH2+]C(C1)C([O-])=O OC1C[NH2+]C(C1)C([O-])=O is the amino acid zwitterion formed from 4-hydroxyproline. It is also related to or classified as amino-acid zwitterion .
The molecule C([C@@]1([C@H]2[C@@H]3[C@H](N=C(N[C@@]34[C@H]([C@@H]1O[C@]([C@H]4O)(O2)O)O)N)O)O)O is a quinazoline alkaloid that is a marine toxin isolated from fish such as puffer fish. It has been shown to exhibit potential neutotoxicity due to its ability to block voltage-gated sodium channels. It has a role as a voltage-gated sodium channel blocker, a neurotoxin, a marine metabolite, an animal metabolite and a bacterial metabolite. It is a quinazoline alkaloid, an azatetracycloalkane and an oxatetracycloalkane.
The molecule CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OC2=C(C=CC(=C2)CC3COC4=CC(=C(C(=C4C3=O)OC)OC)OC)OC is a homoisoflavonoid that is cremastranone in which the phenolic hydroxy of the 3-hydroxy-4-methoxybenzyl group has undergone formal esterification with N-Boc-L-phenylalanine and in which both of the remaining hydroxy groups have undergone O-methylation. It has a role as a pharmaceutical and an angiogenesis inhibitor. It is a homoisoflavonoid, a carbamate ester, a L-phenylalanine derivative, an aromatic ether and a semisynthetic derivative. It derives from a cremastranone.
The molecule c1cc[se]c1 c1cc[se]c1 is A five-membered monocyclic heteroarene composed of four CH units and one selenium atom. The parent of the class of selenophenes. It is also related to or classified as mancude organic heteromonocyclic parent , monocyclic heteroarene , selenophenes .
The molecule [H][C@@]12C[C@@H](O)[C@@H](O)C[C@]1(C)[C@@]1([H])[C@H](O)C[C@]3(C)[C@]([H])(CC[C@@]3(O)C1=CC2=O)[C@@](C)(O)[C@H](O)CC[C@@](C)(O)CO [H][C@@]12C[C@@H](O)[C@@H](O)C[C@]1(C)[C@@]1([H])[C@H](O)C[C@]3(C)[C@]([H])(CC[C@@]3(O)C1=CC2=O)[C@@](C)(O)[C@H](O)CC[C@@](C)(O)CO is (25R)-11alpha,20,26-trihydroxyecdysone. Its functional parent is ecdysone . It is also related to or classified as 11alpha-hydroxy steroid , phytoecdysteroid , 26-hydroxy steroid , 20-hydroxy steroid .
The molecule c1cc[te]c1 c1cc[te]c1 is A five-membered monocyclic heteroarene composed of four CH units and one tellurium atom. The parent of the class of tellurophenes. It is also related to or classified as mancude organic heteromonocyclic parent , monocyclic heteroarene , tellurophenes .
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)S(=O)(=O)C3=C(ON=C3C)C 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)S(=O)(=O)C3=C(ON=C3C)C is N-[[(3R,9S,10S)-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,3,5-trimethyl-4-isoxazolesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C1=CC(=CC=C1C2=C(C(=C(N2)C(F)(F)F)Br)C#N)Cl is a pyrrole resulting from the N-dealkylation of the ethoxymethyl group of chlorfenapyr. It is the active insecticide of the proinsecticide chlorfenapyr. It has a role as an acaricide, an insecticide and an antifouling biocide. It is an organochlorine acaricide, an organochlorine insecticide, an organofluorine acaricide, an organofluorine insecticide, a member of pyrroles, a nitrile, a member of monochlorobenzenes and an organobromine compound.
The molecule COC(=O)[C-]1C(=O)c2c(C)c3C=C4C(C=C)=C(C)C5=[N+]4[Mg--]46n3c2C1=C1C(CCC([O-])=O)=C(C)C(C=c2c(C)c(C=C)c(=C5)n42)=[N+]61 COC(=O)[C-]1C(=O)c2c(C)c3C=C4C(C=C)=C(C)C5=[N+]4[Mg--]46n3c2C1=C1C(CCC([O-])=O)=C(C)C(C=c2c(C)c(C=C)c(=C5)n42)=[N+]61 is dianion of 2,4-divinyl protochlorophyllide a. It is also related to or classified as cyclic tetrapyrrole anion .
The molecule O1[C@@H]([C@H](O)[C@H](O)[C@@H](O)C1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC(OC)=C(O)C=C4)CO[C@@]5(O[C@H]([C@H](O)[C@@H](O)[C@H]5O)C)[H] O1[C@@H]([C@H](O)[C@H](O)[C@@H](O)C1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC(OC)=C(O)C=C4)CO[C@@]5(O[C@H]([C@H](O)[C@@H](O)[C@H]5O)C)[H] is A glycosyloxyflavone that is isorhamnetin substituted at position 3 by a robinobiosyl residue. It has the role of antioxidant . It has the role of apoptosis inducer . It has the role of plant metabolite . Its functional parent is isorhamnetin . It is also related to or classified as monomethoxyflavone  .  It is also related to or classified as glycosyloxyflavone  . It is also related to or classified as trihydroxyflavone , disaccharide derivative .
The molecule C[C@H]1[C@@H](C[C@@H]([C@]2([C@H]1C3=CC[C@@H]4[C@]5(CCC(=O)C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)C)C)O)C(=O)OC is a pentacyclic triterpenoid with formula C31H48O4, originally isolated from the roots of Tripterygium regelii. It has a role as a plant metabolite. It is a pentacyclic triterpenoid, a cyclic ketone, a secondary alcohol and a methyl ester. It derives from a hydride of an ursane.
The molecule C(=O)(N)NC(=O)N is a member of the class of condensed ureas that is the compound formed by the condensation of two molecules of urea; the parent compound of the biuret group of compounds. Used as a non-protein nitrogen source in ruminant feed.
The molecule C1(=O)NC(=NC2=C1[N+](=CN2[C@@H]3O[C@H](COP(OP(OP(OC[C@H]4O[C@H]([C@@H]([C@@H]4O)O)N5C6=C(C(=NC=N6)N)N=C5)(=O)[O-])(=O)[O-])(=O)[O-])[C@@H](O)[C@H]3O)C)N C1(=O)NC(=NC2=C1[N+](=CN2[C@@H]3O[C@H](COP(OP(OP(OC[C@H]4O[C@H]([C@@H]([C@@H]4O)O)N5C6=C(C(=NC=N6)N)N=C5)(=O)[O-])(=O)[O-])(=O)[O-])[C@@H](O)[C@H]3O)C)N is A 7-methyl guanosine (m7G) linked via an inverted 5'-5' triphosphate bridge to an adenosine ribonucleotide; major species at pH 7.3. It is also related to or classified as (N(7)-methyl 5'-triphosphoguanosine)-nucleoside(2-)  . It is also related to or classified as organophosphate oxoanion .
The molecule OC1CNC(C1)C([O-])=O OC1CNC(C1)C([O-])=O is the alpha-amino-acid anion formed by loss of a proton from the carboxy group of 4-hydroxyproline. It is also related to or classified as alpha-amino-acid anion .
The molecule [Mn] [Mn] is manganese atom. It has the role of micronutrient . It has the role of Escherichia coli metabolite . It is also related to or classified as manganese group element atom .
The molecule C1C=CC=[As]1 is that one of the three tautomers of arsole that has the double bonds at positions 1 and 3. It is a tautomer of a 3H-arsole and a 1H-arsole.
The molecule CC1C2CC2(CC1=O)C(C)C is a thujane monoterpenoid that is thujane substituted by an oxo group at position 3. It has a role as a plant metabolite. It is a thujane monoterpenoid and a cyclic terpene ketone.
The molecule [O-]c1cc2CC[n+]3cc4cc5OCOc5cc4c(c1)c23 [O-]c1cc2CC[n+]3cc4cc5OCOc5cc4c(c1)c23 is ungeremine. It has the role of metabolite . It is also related to or classified as organic molecular entity .
The molecule O1CC(CC2=C1C=C(O)C=C2)C3=C(OC)C(OC)=C(OC)C=C3 O1CC(CC2=C1C=C(O)C=C2)C3=C(OC)C(OC)=C(OC)C=C3 is 7-Hydroxy-2',3',4'-trimethoxyisoflavan. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule CCC1=C(C)\C(NC1=O)=C\C1=N\C(=C/c2[nH]c(\C=C3NC(=O)C(C)=C/3CC)c(C)c2CCC(O)=O)\C(CCC(O)=O)=C1C CCC1=C(C)\C(NC1=O)=C\C1=N\C(=C/c2[nH]c(\C=C3NC(=O)C(C)=C/3CC)c(C)c2CCC(O)=O)\C(CCC(O)=O)=C1C is A bilin that consists of 3,18-diethyl-2,7,13,17-tetramethyl-1,19,22,24-tetrahydro-21H-biline-8,12-dipropanoic acid bearing two oxo substituents at positions 1 and 19. It is a conjugate acid of mesobiliverdin(2-) . It is also related to or classified as bilins .
The molecule ClC(Cl)(Cl)C(=O)OCCCCCCCCCCCCCCCC ClC(Cl)(Cl)C(=O)OCCCCCCCCCCCCCCCC is Hexadecyl trichloroacetate. Its functional parent is carboxylic acid . It is also related to or classified as organohalogen compound  .
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](O[C@@H]([C@H]2O)COP(=O)(O)OCCCCCN)O[C@H](CO)C(=O)O)NC(=O)C)CO)O)O is a synthetic disaccharide phosphate consisting of an alpha-D-GlcNAc-(1->3)-alpha-D-GlcNAc disaccharide linked glycosidically to O-2 of D-glyceric acid and connected to a 5-aminopentyl linker via a phospho group at O-6 of the reducing-end residue. Synthesized for immobilization on microarray surfaces and conjugation to carrier proteins as a potential vaccine candidate to protect from Clostridium difficile infections. It derives from a D-glyceric acid.
The molecule C1[C@@H]([C@H]([C@H]([C@@H]1O)/C=C/[C@H](CCCCC)O[C@@H]2O[C@H](C([O-])=O)[C@H]([C@@H]([C@H]2O)O)O)C/C=C\CCCC([O-])=O)O C1[C@@H]([C@H]([C@H]([C@@H]1O)/C=C/[C@H](CCCCC)O[C@@H]2O[C@H](C([O-])=O)[C@H]([C@@H]([C@H]2O)O)O)C/C=C\CCCC([O-])=O)O is major microspecies at pH 7.3. Its functional parent is 8-epi-prostaglandin F2alpha(1-) . It is also related to or classified as F2-isoprostane , glucosiduronic acid , prostaglandin carboxylic acid anion .
The molecule COc1ccn(C)c(=O)c1C(O)=O COc1ccn(C)c(=O)c1C(O)=O is 4-methoxy-1-methyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid. Its functional parent is nicotinic acid . It is a conjugate acid of 4-methoxy-1-methyl-2-oxo-1,2-dihydropyridine-3-carboxylate . It is also related to or classified as methylpyridines , pyridone .