anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CCCCCCCCCCCCCCC(=O)OC is a fatty acid ester obtained by condensation of the carboxy group of pentadecanoic acid with the hydroxy group of methanol. It has a role as a plant metabolite and a bacterial metabolite. It derives from a pentadecanoic acid.
The molecule CC(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1 CC(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1 is A bromobisphenol that is 4,4'-methanediyldiphenol in which the methylene hydrogens are replaced by two methyl groups and the phenyl rings are substituted by bromo groups at positions 2, 2', 6 and 6'. It is a brominated flame retardant. Its functional parent is bisphenol A . It is also related to or classified as brominated flame retardant , bromobisphenol .
The molecule [H]C(=C([H])c1ccc(O)cc1)c1ccccc1 [H]C(=C([H])c1ccc(O)cc1)c1ccccc1 is A phenol having the structure of stilbene with a hydroxy function at C-4 of one of the phenyl rings; the stereochemistry across the alkene bond is not specified. It is also related to or classified as phenols  .
The molecule COC(=O)NS(=O)(=O)c1ccc(N)cc1 COC(=O)NS(=O)(=O)c1ccc(N)cc1 is A carbamate ester that is methyl carbamate substituted by a (4-aminophenyl)sulfonyl group at the nitrogen atom. A dihydropteroate synthase inhibitor, it is used (normally as the corresponding sodium salt, asulam-sodium) as a herbicide, mainly for killing bracken. It has the role of herbicide . It has the role of agrochemical . It has the role of xenobiotic . It has the role of EC 2.5.1.15 (dihydropteroate synthase) inhibitor . It has the role of environmental contaminant . It is a conjugate acid of asulam(1-) .  It is also related to or classified as sulfonamide  . It is also related to or classified as carbamate ester , substituted aniline , primary amino compound .
The molecule NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](N)C[C@@H]1O NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](N)C[C@@H]1O is A amino cyclitol glycoside that is kanamycin B lacking the 3-hydroxy substituent from the 2,6-diaminoglucose ring. It has the role of toxin . It has the role of antimicrobial agent . It has the role of antibacterial agent . Its functional parent is kanamycin B . It is also related to or classified as amino cyclitol glycoside .
The molecule C1=C(C=CC(=C1)S([N-]C(OC)=O)(=O)=O)N C1=C(C=CC(=C1)S([N-]C(OC)=O)(=O)=O)N is an organic nitrogen anion resulting from the deprotonation of the N-acylsulfonamide moiety of asulam. The conjugate base of asulam. It is also related to or classified as organic nitrogen anion .
The molecule O=C1N2[C@]3(C(=O)NC1=CC=4C5=C(C=CC=C5)NC4C(C=C)(C)C)[C@]67N(C(=O)/C(=C/C=8C9=C(C=CC=C9)NC8C(C=C)(C)C)/NC6=O)CC[C@H]7[C@@H]3CC2 O=C1N2[C@]3(C(=O)NC1=CC=4C5=C(C=CC=C5)NC4C(C=C)(C)C)[C@]67N(C(=O)/C(=C/C=8C9=C(C=CC=C9)NC8C(C=C)(C)C)/NC6=O)CC[C@H]7[C@@H]3CC2 is (+)-asperginulin A. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)C[C@H]1O Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)C[C@H]1O is cordycepin. It has the role of nucleoside antibiotic . It has the role of antimetabolite . It is also related to or classified as adenosines , 3'-deoxyribonucleoside .
The molecule C12=C(C=CC=C1)NC=3[C@]([C@@]4(/C(/C[N+](=CC4)CCC32)=C\C)[H])(C(=O)OC)C=O C12=C(C=CC=C1)NC=3[C@]([C@@]4(/C(/C[N+](=CC4)CCC32)=C\C)[H])(C(=O)OC)C=O is A four-electron reduction will result in CHEBI:9260. It is also related to or classified as organic cation , organic heterotetracyclic compound , monoterpenoid indole alkaloid .
The molecule [C@@H]1([C@H](O)[C@](C(=O)[O-])(C)[C@]2([C@@]([C@@H]1O)(C([O-])=O)[C@]3(CC[C@@]4([C@](C3=CC2)(C)CC[C@]5([C@]4(CC[C@@H]5C(C)C)[H])C)C)[H])[H])O [C@@H]1([C@H](O)[C@](C(=O)[O-])(C)[C@]2([C@@]([C@@H]1O)(C([O-])=O)[C@]3(CC[C@@]4([C@](C3=CC2)(C)CC[C@]5([C@]4(CC[C@@H]5C(C)C)[H])C)C)[H])[H])O is major microspecies at pH 7.3. It is also related to or classified as triterpenoid  .
The molecule [H][C@@]1(CC[C@]2([H])[C@]1(C)CCC\C2=C/C=C1/C[C@@H](O)CCC1=C)[C@H](C)CC[C@@H](O)C(C)(C)O [H][C@@]1(CC[C@]2([H])[C@]1(C)CCC\C2=C/C=C1/C[C@@H](O)CCC1=C)[C@H](C)CC[C@@H](O)C(C)(C)O is (24R)-24,25-dihydroxycalciol. It has the role of human metabolite .  It is also related to or classified as hydroxycalciol  . It is also related to or classified as seco-cholestane , hydroxy seco-steroid .
The molecule C12=C(C=CC=C1)NC=3[C@]([C@@]4(/C(/CN(CC4)CCC32)=C\C)[H])(C(=O)OC)C=O C12=C(C=CC=C1)NC=3[C@]([C@@]4(/C(/CN(CC4)CCC32)=C\C)[H])(C(=O)OC)C=O is A two-electron reduction of this compound results in CHEBI:9260. It is also related to or classified as methyl ester  . It is also related to or classified as organic heterotetracyclic compound , monoterpenoid indole alkaloid .
The molecule C=1(CC=2C(=NC(N)=NC2)N)C=C(C(OC)=C(C1)OC)OC C=1(CC=2C(=NC(N)=NC2)N)C=C(C(OC)=C(C1)OC)OC is an aminopyrimidine antibiotic whose structure consists of pyrimidine 2,4-diamine and 1,2,3-trimethoxybenzene moieties linked by a methylene bridge. It has the role of diuretic . It has the role of xenobiotic . It has the role of antibacterial drug . It has the role of EC 1.5.1.3 (dihydrofolate reductase) inhibitor . It has the role of environmental contaminant . It has the role of drug allergen . It is also related to or classified as aminopyrimidine , methoxybenzenes .
The molecule CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\COP(O)(=O)OP(O)(O)=O CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\COP(O)(=O)OP(O)(O)=O is the all-trans-isomer of geranylgeranyl diphosphate. It has the role of mouse metabolite . It is a conjugate acid of 2-trans,6-trans,10-trans-geranylgeranyl diphosphate(3-) . It is also related to or classified as geranylgeranyl diphosphate  .
The molecule [H][C@]12SCC=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\c1csc(N)n1)C([O-])=O [H][C@]12SCC=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\c1csc(N)n1)C([O-])=O is the monocarboxylic acid anion formed by deprotonating ceftizoxime at the carboxyl oxygen. It is also related to or classified as monocarboxylic acid anion  .
The molecule OS(=O)(=O)Oc1ccc2c(ccc3ccccc23)c1 OS(=O)(=O)Oc1ccc2c(ccc3ccccc23)c1 is 2-phenanthryl hydrogen sulfate. It is a conjugate acid of 2-phenanthryl sulfate . It is also related to or classified as phenanthryl hydrogen sulfate .
The molecule O=C1N2[C@@]3(C(=O)NC1=CC=4C5=C(C=CC=C5)NC4C(C=C)(C)C)[C@@]67N(C(=O)/C(=C/C=8C9=C(C=CC=C9)NC8C(C=C)(C)C)/NC6=O)CC[C@@H]7[C@H]3CC2 O=C1N2[C@@]3(C(=O)NC1=CC=4C5=C(C=CC=C5)NC4C(C=C)(C)C)[C@@]67N(C(=O)/C(=C/C=8C9=C(C=CC=C9)NC8C(C=C)(C)C)/NC6=O)CC[C@@H]7[C@H]3CC2 is (-)-asperginulin A. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CCCCCCCCCCCCCCCCCCCCCCC CCCCCCCCCCCCCCCCCCCCCCC is A straight chain alkane containing 23 carbon atoms. It has the role of volatile oil component . It has the role of plant metabolite . It is also related to or classified as long-chain alkane  .
The molecule CC(C)NNC(=O)c1ccncc1 CC(C)NNC(=O)c1ccncc1 is Iproniazid.  It is also related to or classified as carbohydrazide  . It is also related to or classified as pyridines .
The molecule CCN(CCOC(C)=O)c1ccc(N=Nc2ncc(s2)[N+]([O-])=O)c(C)c1 CCN(CCOC(C)=O)c1ccc(N=Nc2ncc(s2)[N+]([O-])=O)c(C)c1 is A monoazo compound consisting of diazene with a 5-nitrothiazol-2-yl group attached to one nitrogen and a substituted 4-aminophenyl group attached to the other; used as a dye standard for the assay of allergy-releasing dyes in textiles. It has the role of dye . It has the role of allergen . It has the role of hapten . It is also related to or classified as tertiary amine  . It is also related to or classified as 1,3-thiazoles , monoazo compound .
The molecule CCCCCCCCCCCCCCCCCCCCCC CCCCCCCCCCCCCCCCCCCCCC is A straight-chain alkane with 22 carbon atoms. It has the role of plant metabolite . It is also related to or classified as long-chain alkane  .
The molecule CC1=CC=C(C=C1)C1=CC(=NN1C1=CC=C(C=C1)S(N)(=O)=O)C(F)(F)F CC1=CC=C(C=C1)C1=CC(=NN1C1=CC=C(C=C1)S(N)(=O)=O)C(F)(F)F is A member of the class of pyrazoles that is 1H-pyrazole which is substituted at positions 1, 3 and 5 by 4-sulfamoylphenyl, trifluoromethyl and p-tolyl groups, respectively. A cyclooxygenase-2 inhibitor, it is used in the treatment of arthritis. It has the role of geroprotector . It has the role of non-steroidal anti-inflammatory drug . It has the role of non-narcotic analgesic . It has the role of cyclooxygenase 2 inhibitor .   It is also related to or classified as sulfonamide  . It is also related to or classified as organofluorine compound  . It is also related to or classified as pyrazoles , toluenes .
The molecule CC(C)[C@@H]([C@@H](O)C(O)=O)C(O)=O CC(C)[C@@H]([C@@H](O)C(O)=O)C(O)=O is (2R,3S)-3-isopropylmalic acid. It is a conjugate acid of (2R,3S)-3-isopropylmalate(2-) . It is also related to or classified as 3-isopropylmalic acid  .
The molecule CCCCCCCCCCCCCCCCCCCCC CCCCCCCCCCCCCCCCCCCCC is an alkane that has 21 carbons and a straight-chain structure. It has been isolated from plants like Periploca laevigata and Carthamus tinctorius. It has the role of pheromone . It has the role of volatile oil component . It has the role of plant metabolite . It is also related to or classified as long-chain alkane  .
The molecule C(C(CCCCCCCCCCCCCCCCCCCC)O)(NC(COC1OC(C(O)C(O)C1O)CO)C(O)C(CCCCCCCCCCCC)O)=O C(C(CCCCCCCCCCCCCCCCCCCC)O)(NC(COC1OC(C(O)C(O)C1O)CO)C(O)C(CCCCCCCCCCCC)O)=O is vGSL-like (t16:0/h22:0). It is also related to or classified as O-acyl carbohydrate , fatty acid derivative .
The molecule C1=CC([C@]2([N@@+](CCC2)([O-])C)[H])=CN=C1 C1=CC([C@]2([N@@+](CCC2)([O-])C)[H])=CN=C1 is an (S)-nicotine N(1')-oxide in which the N(1')-methyl group is on the same side of the pyrrolidine ring as the pyridine substituent. The major species at pH 7.3. It is also related to or classified as (S)-nicotine N(1')-oxide  .
The molecule [Na+].[Na+].Cl[Pt--](Cl)(Cl)(Cl)(Cl)Cl [Na+].[Na+].Cl[Pt--](Cl)(Cl)(Cl)(Cl)Cl is an inorganic sodium salt comprising separate sodium cations and octahedral [PtCl6](2-)  anions. It has the role of NMR chemical shift reference compound . It is also related to or classified as inorganic sodium salt .
The molecule CCCCCCCCCCCCCCCCCCC CCCCCCCCCCCCCCCCCCC is A straight-chain alkane with 19 carbon atoms. It has been found as a component of essential oils isolated from Artemisia armeniaca. It has the role of volatile oil component . It has the role of plant metabolite . It is also related to or classified as long-chain alkane  .
The molecule C1=CC([C@]2([N@+](CCC2)([O-])C)[H])=CN=C1 C1=CC([C@]2([N@+](CCC2)([O-])C)[H])=CN=C1 is an (S)-nicotine N(1')-oxide in which the N(1')-methyl group is on the opposite side of the pyrrolidine ring to the pyridine substituent. The major species at pH 7.3. It is also related to or classified as (S)-nicotine N(1')-oxide  .
The molecule C[N+](C)(C)C C[N+](C)(C)C is the simplest quaternary ammonium cation, comprising a central nitrogen linked to four methyl groups. It is also related to or classified as quaternary ammonium ion  .
The molecule [H][C@@]12C[C@@H](C)[C@H](C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(Cl)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C [H][C@@]12C[C@@H](C)[C@H](C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(Cl)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C is 16alpha-Methylpregna-1,4-diene-3,20-dione bearing hydroxy substituents at the 11beta and 21 positions, fluorine at position 6 and chlorine at position 9. A medium potency corticosteroid, it is used as its 21-O-pivalate or caproate ester for the relief of inflammatory and pruritic (itching) skin disorders. It has the role of anti-inflammatory drug . It has the role of antipruritic drug . It is also related to or classified as primary alpha-hydroxy ketone  .   It is also related to or classified as 11beta-hydroxy steroid  .   It is also related to or classified as 3-oxo-Delta(1),Delta(4)-steroid  . It is also related to or classified as glucocorticoid , 21-hydroxy steroid , 20-oxo steroid , fluorinated steroid , chlorinated steroid .
The molecule O=C1C(OC)=CC(=O)C(=C1CCCCCCC/C=C\CCCCC/C=C/C(=O)O)O O=C1C(OC)=CC(=O)C(=C1CCCCCCC/C=C\CCCCC/C=C/C(=O)O)O is Phlebiachrysoic acid C. It is also related to or classified as long-chain fatty acid  .
The molecule [NH3+][NH3+] [NH3+][NH3+] is hydrazinium(2+). It is a conjugate acid of hydrazinium(1+) . It is also related to or classified as nitrogen hydride .
The molecule C=1(C=NC=CC1)C2[N+](CCC2)([O-])C C=1(C=NC=CC1)C2[N+](CCC2)([O-])C is A tertiary amine oxide resulting from the oxidation of the pyrrolidine nitrogen of nicotine. It is also related to or classified as pyridines , pyrrolidine N-oxides .
The molecule O=C1O[C@H](C(=O)[C@]2([C@H]1[C@]3([C@H](O)C(=O)[C@H]4C(C(=O)CC[C@]4([C@@H]3CC2=C)C)(C)C)C)C)C O=C1O[C@H](C(=O)[C@]2([C@H]1[C@]3([C@H](O)C(=O)[C@H]4C(C(=O)CC[C@]4([C@@H]3CC2=C)C)(C)C)C)C)C is Asperterpene F. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule C1=CC([C@]2([N+](CCC2)([O-])C)[H])=CN=C1 C1=CC([C@]2([N+](CCC2)([O-])C)[H])=CN=C1 is A nicotine N(1')-oxide resulting from the oxidation of the pyrrolidine nitrogen of (S)-nicotine; major species at pH 7.3. Its functional parent is (S)-nicotine . It is also related to or classified as nicotine N(1')-oxide  .
The molecule C[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@H](O[C@H]3[C@H](C)O[C@@H](O[C@H]4[C@@H](O)[C@@H](CO)O[C@H](O[C@@H]5[C@H](O[C@H](CO)[C@@H](O)[C@@H]5O[C@H]5O[C@H](C)[C@H](O)C[C@H]5O)O[C@H]5[C@H](C)O[C@@H](O[C@H]6[C@@H](O)[C@@H](CO)O[C@H](O[C@@H]7[C@H](O[C@H](CO)[C@@H](O)[C@@H]7O[C@H]7O[C@H](C)[C@H](O)C[C@H]7O)O[C@H]7[C@H](C)O[C@@H](O)[C@H](O)[C@@H]7O)[C@@H]6O)[C@H](O)[C@@H]5O)[C@@H]4O)[C@H](O)[C@@H]3O)[C@H]2O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)C[C@H]1O C[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@H](O[C@H]3[C@H](C)O[C@@H](O[C@H]4[C@@H](O)[C@@H](CO)O[C@H](O[C@@H]5[C@H](O[C@H](CO)[C@@H](O)[C@@H]5O[C@H]5O[C@H](C)[C@H](O)C[C@H]5O)O[C@H]5[C@H](C)O[C@@H](O[C@H]6[C@@H](O)[C@@H](CO)O[C@H](O[C@@H]7[C@H](O[C@H](CO)[C@@H](O)[C@@H]7O[C@H]7O[C@H](C)[C@H](O)C[C@H]7O)O[C@H]7[C@H](C)O[C@@H](O)[C@H](O)[C@@H]7O)[C@@H]6O)[C@H](O)[C@@H]5O)[C@@H]4O)[C@H](O)[C@@H]3O)[C@H]2O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)C[C@H]1O is A polysaccharide that is a branched dodecasaccharide consisting of three repeating tetrasaccharide units; reported to be a possible epitope of the O-antigen polysaccharide in Salmonella. It is also related to or classified as polysaccharide  .
The molecule OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@H]6[C@H](O)[C@@H](O)[C@H](O)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@H]6[C@H](O)[C@@H](O)[C@H](O)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O is A D-cellohexaose in which the carbon bearing the anomeric hydroxy group has beta configuration. It is also related to or classified as D-cellohexaose  .
The molecule CCC(C)CCCCCCCCCCC(O)=O CCC(C)CCCCCCCCCCC(O)=O is A branched-chain saturated fatty acid comprising tetradecanoic acid carrying a 12-methyl substituent. It is also related to or classified as long-chain fatty acid  . It is also related to or classified as branched-chain saturated fatty acid .
The molecule OCC(O)COP([O-])(=O)OCC(O)CO OCC(O)COP([O-])(=O)OCC(O)CO is an organophosphate oxoanion that is the conjugate base of glycerophosphoglycerol; major species at pH 7.3. It is also related to or classified as organophosphate oxoanion .
The molecule O(C(=O)CCCCCCCCCCC(CC)C)C O(C(=O)CCCCCCCCCCC(CC)C)C is A fatty acid methyl ester resulting from the formal condensation of the carboxy group of 12-methyltetradecanoic acid (12-methylmyristic acid) with methanol. It has the role of plant metabolite . Its functional parent is 12-methyltetradecanoic acid . It is also related to or classified as fatty acid methyl ester  .
The molecule NCCNCCN.C1C(CCl)O1.Cl NCCNCCN.C1C(CCl)O1.Cl is the hydrochloride of colestipol, a highly cross-linked, high molecular weight copolymer of diethylenetriamine and epichlorohydrin (hydrochloride), with approximately 1 out of 5 amine nitrogens protonated. It is used for binding bile acids in the intestine, inhibiting their reabsorption. It has the role of anticholesteremic drug . It is also related to or classified as hydrochloride .
The molecule COC(C)(C)C\C=C\C(C)=C\C=C\C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C=C(C)\C=C\CC(C)(C)OC COC(C)(C)C\C=C\C(C)=C\C=C\C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C=C(C)\C=C\CC(C)(C)OC is A carotenoid ether that is (3E,3'E)-1,1'-dihydroxy-3,3',4,4'-tetradehydro-1,1',2,2'-tetrahydro-psi,psi-carotene in which both hydroxyl hydrogens are replaced by methyl groups. It has the role of bacterial metabolite . It is also related to or classified as carotenoid ether .
The molecule [Na+].[Na+].Cl[Pt--](Cl)(Cl)Cl [Na+].[Na+].Cl[Pt--](Cl)(Cl)Cl is an inorganic sodium salt comprising separate sodium cations and square planar [PtCl4](2-) anions. It is also related to or classified as inorganic sodium salt .
The molecule CC(\C=C\C=C(C)\C=C\C1C(C)=CC(O)CC1(C)C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1C(C)=CC(O)CC1(C)C CC(\C=C\C=C(C)\C=C\C1C(C)=CC(O)CC1(C)C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1C(C)=CC(O)CC1(C)C is A carotenol isolated from the white tuna, or albacore tuna (Thunnus albacares). It has the role of animal metabolite . It has the role of marine metabolite . It is also related to or classified as carotenol .
The molecule C(CCCCCCCCC)CCCCC(OC)=O C(CCCCCCCCC)CCCCC(OC)=O is A fatty acid ester obtained by condensation of the carboxy group of pentadecanoic acid with the hydroxy group of methanol. It has the role of plant metabolite . It has the role of bacterial metabolite . Its functional parent is pentadecanoic acid . It is also related to or classified as fatty acid methyl ester  .
The molecule O=C1C(O)=C2[C@](CCC(C2(C)C)=O)(C)[C@@]34[C@]1([C@H]5C(=O)O[C@@](C(=O)OC)(C)C([C@]5(C)C([C@@H]3O4)=C)=O)C O=C1C(O)=C2[C@](CCC(C2(C)C)=O)(C)[C@@]34[C@]1([C@H]5C(=O)O[C@@](C(=O)OC)(C)C([C@]5(C)C([C@@H]3O4)=C)=O)C is Asperterpene D. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule CN\C(NCCC[C@H](N)C(O)=O)=N\C CN\C(NCCC[C@H](N)C(O)=O)=N\C is A  L-arginine derivative having two methyl groups at the N(omega)- and N'(omega)-positions. It has the role of EC 1.14.13.39 (nitric oxide synthase) inhibitor . It is also related to or classified as guanidines , non-proteinogenic L-alpha-amino acid , L-arginine derivative , dimethylarginine .
The molecule C12=C(C=CC=C1)NC=3[C@]([C@]4(/C(/CN(CC4)CCC32)=C\C)[H])(C(=O)OC)CO C12=C(C=CC=C1)NC=3[C@]([C@]4(/C(/CN(CC4)CCC32)=C\C)[H])(C(=O)OC)CO is A monoterpenoid indole alkaloid with forumula C21H26N2O3, isolated from the fruits of Tabernaemontana heyneana. 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 methyl ester  . It is also related to or classified as organic heterotetracyclic compound , monoterpenoid indole alkaloid .
The molecule CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCC([O-])=O CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCC([O-])=O is A docosatetraenoate that is the conjugate base of lynenic acid resulting from the deprotonation of the carboxy group; Major species at pH 7.3. It is also related to or classified as docosatetraenoate  .
The molecule Cc1cccc(c1)[N+]([O-])=O Cc1cccc(c1)[N+]([O-])=O is A mononitrotoluene carrying a nitro group at position 3. It is also related to or classified as mononitrotoluene .
The molecule O=C/1N2[C@@H](OCC)CC[C@H]2C(=O)N\C1=C/C=3C4=C(C=CC=C4)NC3C(C=C)(C)C O=C/1N2[C@@H](OCC)CC[C@H]2C(=O)N\C1=C/C=3C4=C(C=CC=C4)NC3C(C=C)(C)C is Aspamide B. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C(CCCCCCCCCC)CCCCC(NCC(O)=O)=O C(CCCCCCCCCC)CCCCC(NCC(O)=O)=O is an N-acylglycine in which the acyl group is specified as hexadecanoyl (palmitoyl). It has the role of marine metabolite . It has the role of human metabolite . Its functional parent is hexadecanoic acid . It is a conjugate acid of N-hexadecanoylglycinate . It is also related to or classified as N-acylglycine 16:0  . It is also related to or classified as fatty amide .
The molecule C1CCC(NC1)c1cccnc1 C1CCC(NC1)c1cccnc1 is A pyridine alkaloid that is pyridine substituted by a piperidin-2-yl group at position 3. It has the role of nicotinic acetylcholine receptor agonist . It has the role of teratogenic agent . It has the role of plant metabolite . It is also related to or classified as piperidine alkaloid , pyridine alkaloid .
The molecule [H]C(=O)c1ccc2ccccc2c1 [H]C(=O)c1ccc2ccccc2c1 is A naphthaldehyde that is naphthalene substituted by a formyl group at position 2. It has the role of mouse metabolite . It is also related to or classified as naphthaldehyde .
The molecule C(CCCCCCCCCC)CCCCC(NCC([O-])=O)=O C(CCCCCCCCCC)CCCCC(NCC([O-])=O)=O is an N-acylglycinate that is the conjugate base of N-hexadecanoylglycine, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as N-(fatty acyl)-glycine(1-)  . It is also related to or classified as N-acylglycinate  .
The molecule COC(C)(C)C\C=C\C(C)=C\C=C\C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(/C)CC\C=C(/C)CCC=C(C)C COC(C)(C)C\C=C\C(C)=C\C=C\C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(/C)CC\C=C(/C)CCC=C(C)C is the cartenoid ether that is the methyl ether of 3,4-didehydro-1,2,7',8'-tetrahydro-psi,psi-caroten-1-ol. It is also related to or classified as carotenoid ether .
The molecule O[C@@H]1[C@@H](O)[C@@H](O[C@@H]([C@H]1O)C(O)=O)OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl O[C@@H]1[C@@H](O)[C@@H](O[C@@H]([C@H]1O)C(O)=O)OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl is A beta-D-glucosiduronic acid (beta-D-glucuronide) that is a metabolite of diclofenac. It has the role of drug metabolite . Its functional parent is diclofenac .  It is also related to or classified as dichlorobenzene  . It is also related to or classified as beta-D-glucosiduronic acid , monocarboxylic acid , secondary amino compound .
The molecule C[C@@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]3[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)O[C@@H]4CO)[C@@H]3NC(C)=O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O C[C@@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]3[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)O[C@@H]4CO)[C@@H]3NC(C)=O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O is A branched amino pentasaccharide consisting of two D-glucose residues (one at the reducing end), one N-acetyl-D-glucosamine residue, one D-galactose residue and one L-fucose residue, linked as shown. It is also related to or classified as amino pentasaccharide .
The molecule Cc1ccc2ccccc2c1 Cc1ccc2ccccc2c1 is A  methylnaphthalene carrying a methyl substituent at position 2. It is also related to or classified as methylnaphthalene .
The molecule CC(C)=CCC\C(C)=C\C=C\C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C=C(/C)CCCC(C)(C)O CC(C)=CCC\C(C)=C\C=C\C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C=C(/C)CCCC(C)(C)O is A carotenol having the structure of 1,2-dihydro-psi,psi-carotene with a hydroxy function at C-1. It has the role of bacterial metabolite .  It is also related to or classified as tertiary alcohol  . It is also related to or classified as carotenol .
The molecule [NH4+].[NH4+].Cl[Pt--](Cl)(Cl)(Cl)(Cl)Cl [NH4+].[NH4+].Cl[Pt--](Cl)(Cl)(Cl)(Cl)Cl is an ammonium salt comprising separate ammonium cations and octahedral [PtCl6](2-) anions. It is also related to or classified as ammonium salt .
The molecule C[C@](N)(CCC(N)=O)C(O)=O C[C@](N)(CCC(N)=O)C(O)=O is A non-proteinogenic L-alpha-amino acid that is L-glutamine substituted by a methyl group at position 2. Its functional parent is L-glutamine . It is also related to or classified as non-proteinogenic L-alpha-amino acid .