anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C(=C/CCCCCCCCCCCCC)\[C@@H](O)[C@@H](NC(CCCCCCCCCCCCCCCCC)=O)CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OS(O)(=O)=O)O C(=C/CCCCCCCCCCCCC)\[C@@H](O)[C@@H](NC(CCCCCCCCCCCCCCCCC)=O)CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OS(O)(=O)=O)O is A N-acyl-beta-D-galactosylsphingosine having a sulfo group at the 3-position on the galactose ring and stearoyl as the N-acyl group. It has the role of epitope . It is a conjugate acid of 1-(3-O-sulfo-beta-D-galactosyl)-N-stearoylsphingosine(1-) . It is also related to or classified as galactosylceramide sulfate  . It is also related to or classified as N-acyl-beta-D-galactosylsphingosine  .
The molecule C=12C(N=CN(C1N=CN2)C)=O C=12C(N=CN(C1N=CN2)C)=O is A methylhypoxanthine that is hypoxanthine with the methyl group at position 3. It is also related to or classified as methylhypoxanthine  .
The molecule C[C@@](COC1=C(C=CC(=C1)C#N)C(F)(F)F)(C#N)NC(=O)C2=CC=C(C=C2)SC(F)(F)F is a secondary carboxamide resulting from the formal condensation of the carboxy group of p-[(trifluoromethyl)sulfanyl]benzoic acid with the amino group of (2S)-2-amino-3-hydroxy-2-methylpropanenitrile in which the hydroxy group has been converted to the corresponding 5-cyano-2-(trifluoromethyl)phenyl ether. A broad-spectrum nematicide, it is used to control gastrointestinal roundworms in sheep and goats. It has a role as an anthelminthic drug and a nematicide. It is a nitrile, an aryl sulfide, an aromatic ether, a member of (trifluoromethyl)benzenes and a secondary carboxamide.
The molecule C1(OC(=O)CC1)CCCC C1(OC(=O)CC1)CCCC is A gamma-lactone that is oxolan-2-one substituted by a butyl group at position 5. It is a volatile compound found in peaches, mangoes, beef and ham. It has the role of insect attractant . It has the role of flavouring agent . It has the role of mammalian metabolite . It has the role of mouse metabolite . It has the role of plant metabolite . It has the role of fungal metabolite .  It is also related to or classified as gamma-lactone  . It is also related to or classified as volatile organic compound , tetrahydrofuranone .
The molecule CC(CCC[C@@H](/C=C/[C@@H]1[C@H](C2CC(C2)O1)C/C=C\\CCCC(=O)[O-])O)O is a thromboxane anion that is the conjugate base of 19-hydroxycarbocyclic thromboxane A2, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is an (omega-1)-hydroxy fatty acid anion and a thromboxane anion. It derives from a carbocyclic thromboxane A2(1-). It is a conjugate base of a 19-hydroxycarbocyclic thromboxane A2.
The molecule CCCCCCCCCCCCCCCCCCCCCCC\C=C/C(O)=O CCCCCCCCCCCCCCCCCCCCCCC\C=C/C(O)=O is the cis-isomer of 2-hexacosenoic acid. It is also related to or classified as 2-hexacosenoic acid  .
The molecule [139La] is the stable isotope of lanthanum with relative atomic mass 138.906348, 99.9 atom percent natural abundance and nuclear spin 7/2.
The molecule Oc1ccc(Cl)cc1C([O-])=O Oc1ccc(Cl)cc1C([O-])=O is conjugate base of 5-chlorosalicylic acid. It is also related to or classified as chlorobenzoate , hydroxybenzoate .
The molecule C=12C(NC=NC1N=CN2C)=O C=12C(NC=NC1N=CN2C)=O is A methylhypoxanthine that is hypoxanthine with the methyl group at position 7. It is also related to or classified as methylhypoxanthine  .
The molecule CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)COS(=O)(=O)[O-])O)O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](O2)C(=O)[O-])O)O)O is anionic form of dermatan 6'-sulfate arising from deprotonation of the carboxylic acid and sulfate groups of the repeating units; major species at pH 7.3. It is a conjugate base of a dermatan 6'-sulfate.
The molecule O=C1C2=C(O)C=CC=C2C(=O)C3=C1C=C4[C@@H](O[C@@H]5OC(C(O)(C(=O)C)C(C5)O)C)[C@@]6(O[C@]7([C@H](C4=C3O)C6)NC8=NCCC8=C7)C O=C1C2=C(O)C=CC=C2C(=O)C3=C1C=C4[C@@H](O[C@@H]5OC(C(O)(C(=O)C)C(C5)O)C)[C@@]6(O[C@]7([C@H](C4=C3O)C6)NC8=NCCC8=C7)C is Isoquinocycline B. It is also related to or classified as quinone  . It is also related to or classified as tetracenes .
The molecule C=12C(NC=NC1N(C=N2)C)=O C=12C(NC=NC1N(C=N2)C)=O is A methylhypoxanthine that is hypoxanthine with the methyl group at position 9. It is also related to or classified as methylhypoxanthine  .
The molecule C1=C(C(=O)NC(=O)N1)C=O is a pyrimidone resulting from the formal oxidation of the alcoholic hydroxy group of 5-hydroxymethyluracil to the corresponding aldehyde. It is a major one-electron photooxidation product of thymine in oligodeoxynucleotides. It has a role as a human metabolite and a mutagen. It is a pyrimidone, an aldehyde and a nucleobase analogue. It derives from a 5-hydroxymethyluracil and a thymine.
The molecule OC(/C(=C\N)/C)=O OC(/C(=C\N)/C)=O is an alpha,beta-unsaturated monocarboxylic acid that is methacrylic acid (2-methylacrylic acid) in which the pro-Z hydrogen at the beta position has been replaced by an amino group. Its functional parent is methacrylic acid . It is a conjugate acid of (Z)-3-amino-2-methylacrylate . It is also related to or classified as enamine  . It is also related to or classified as alpha,beta-unsaturated monocarboxylic acid .
The molecule C(\C/C=C\C/C=C\C/C=C\CC)=C\C/C=C\C/C=C\CCC(=O)O C(\C/C=C\C/C=C\C/C=C\CC)=C\C/C=C\C/C=C\CCC(=O)O is A docosahexaenoic acid having six cis-double bonds at positions 4, 7, 10, 13, 16 and 19. It has the role of antineoplastic agent . It has the role of nutraceutical . It has the role of mouse metabolite . It has the role of human metabolite . It has the role of Daphnia tenebrosa metabolite . It has the role of algal metabolite . It is a conjugate acid of (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate . It is also related to or classified as omega-3 fatty acid , docosahexaenoic acid .
The molecule [H][C@]12CC[C@]3(C)[C@@H](CC[C@@]3([H])[C@]1([H])CCc1cc(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C([O-])=O)ccc21)OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O [H][C@]12CC[C@]3(C)[C@@H](CC[C@@]3([H])[C@]1([H])CCc1cc(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C([O-])=O)ccc21)OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O is A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of 17alpha-(N-acetyl-D-glucosaminyl)estradiol 3-glucosiduronic acid; 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 carbohydrate acid derivative anion .
The molecule [O-]C(/C(=C\N)/C)=O [O-]C(/C(=C\N)/C)=O is A monocarboxylic acid anion resulting from the deprotonation of the carboxy group of (Z)-3-amino-2-methylacrylic acid. The major species at pH 7.3. It is also related to or classified as monocarboxylic acid anion  .
The molecule CO[C@H]1CN(CC[C@H]1NC(=O)C2=CC(=C(C=C2OC)N)Cl)CCCOC3=CC=C(C=C3)F is the amide resulting from formal condensation of 4-amino-5-chloro-2-methoxybenzoic acid with cis-1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-amine. It has been used (as its monohydrate or as its tartrate) for the treatment of gastro-oesophageal reflux disease and for non-ulcer dyspepsia, but its propensity to cause cardiac arrhythmias resulted in its complete withdrawal from many countries, including the U.K., and restrictions on its use elsewhere. It has a role as a serotonergic agonist, an anti-ulcer drug and a gastrointestinal drug. It is a member of piperidines, a member of benzamides, a member of monochlorobenzenes, a substituted aniline, an organofluorine compound and an aromatic ether.
The molecule CCCCC[C@H]1CCCCCCCCCC(=O)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)O[C@H]4[C@@H]([C@H](O[C@H]([C@@H]4O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)OC(=O)/C(=C/C)/C)O)OC(=O)[C@@H](C)[C@H](C)O)O[C@@H]6[C@H]([C@@H]([C@H](O[C@H]6O1)C)O)O)CO)O)O)OC(=O)[C@@H](C)CC)OC(=O)[C@@H](C)CC)CO)O)O is a resin glycoside that is the pentasaccharide derivative of jalapinolic acid. It has been isolated from Calystegia soldanella. It has a role as a metabolite. It is a macrocyclic lactone, a resin glycoside and a pentasaccharide derivative. It derives from a tiglic acid and a jalapinolic acid.
The molecule Nc1nc2NC3OC4COP([O-])(=O)OC4C(=O)C3Nc2c(=O)[nH]1 Nc1nc2NC3OC4COP([O-])(=O)OC4C(=O)C3Nc2c(=O)[nH]1 is the anion resulting from the removal of the proton from the phosphate group of precursor Z. It is a conjugate acid of precursor Z(2-) . It is also related to or classified as dialkyl phosphate anion .
The molecule C1(C(=C(C(C(=C1OC)O)=O)C)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)=O C1(C(=C(C(C(=C1OC)O)=O)C)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)=O is A polyprenylbenzoquinone that is fumigatin which is substituted by an all-trans-decaprenyl group at position 6. It has the role of human metabolite . It is a conjugate acid of 3-demethylubiquinone-10(1-) .  It is also related to or classified as monohydroxy-1,4-benzoquinones  . It is also related to or classified as polyprenylbenzoquinone .
The molecule CCCCCCCCCCCCCCCCCCCCCCCC(=O)NCC(=O)O is an N-acylglycine in which the acyl group is specified as tetracosanoyl. It has a role as a human blood serum metabolite and a human urinary metabolite. It is a N-acylglycine and a fatty amide. It derives from a tetracosanoic acid. It is a conjugate acid of a N-tetracosanoylglycinate.
The molecule CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC is A glycotetraosylceramide with an N-octadecanoyl substituent attached to the ceramide nitrogen. It is also related to or classified as N-acetyl-beta-D-galactosaminyl-(1->3)-alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosylceramide  .
The molecule C(CC(=O)[O-])[C@@H](C(=O)[O-])NC(=O)CNC(=O)[C@H](CC(=O)[O-])N is a peptide anion obtained by deprotonation of the carboxy groups of Asp-Gly-Glu. It is a conjugate base of an Asp-Gly-Glu.
The molecule C=1C=C(C=CC1)C([C@H]([NH2+]C)C)=O C=1C=C(C=CC1)C([C@H]([NH2+]C)C)=O is an ammonium ion derivative that is the conjugate acid of (R)-methcathinone obtained from the protonation of the amino group. It is the major species at pH 7.3. It is a conjugate acid of (R)-methcathinone . It is also related to or classified as ammonium ion derivative .
The molecule [H]C(CCCCCCCCCCCCCCCCCCCCCCC)=C([H])C(O)=O [H]C(CCCCCCCCCCCCCCCCCCCCCCC)=C([H])C(O)=O is A hexacosenoic acid with the double bond at the 2-position. It is also related to or classified as hexacosenoic acid , alpha,beta-unsaturated monocarboxylic acid .
The molecule CCCCCCCCCCCCCCCC/C=C\\OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\C/C=C\\CCCCC is a 1-(Z)-alk-1-enyl-2-acyl-sn-glycero-3-phosphocholine in which the alk-1-enyl and acyl groups are specified as (1Z)-octadecenyl and linoleoyl (9Z,12Z-octadecadienoyl) respectively. It has a role as a mouse metabolite. It is a 1-(Z)-alk-1-enyl-2-acyl-sn-glycero-3-phosphocholine and a phosphatidylcholine (P-36:2). It derives from a linoleic acid.
The molecule ON1C(CS)C(C[C@H]1C(=O)NCC(O)=O)c1ccc2OCOc2c1 ON1C(CS)C(C[C@H]1C(=O)NCC(O)=O)c1ccc2OCOc2c1 is A dipeptide consisting of a modified L-proline residue attached to glycine via a peptide linkage. It is also related to or classified as N-acylglycine  .  It is also related to or classified as dipeptide  . It is also related to or classified as benzodioxoles .
The molecule C=1C=C(C=CC1)C([C@@H](NC)C)=O C=1C=C(C=CC1)C([C@@H](NC)C)=O is A 2-methylamino-1-phenylpropan-1-one that has (S)-configuration. It is also related to or classified as 2-methylamino-1-phenylpropan-1-one  .
The molecule Nc1nc2NC3OC4COP(O)(=O)OC4C(=O)C3Nc2c(=O)[nH]1 Nc1nc2NC3OC4COP(O)(=O)OC4C(=O)C3Nc2c(=O)[nH]1 is A linear-fused organic heterotetracyclic compound consisting of a [1,3,2]dioxaphosphinane fused to a pyran-4-one ring which is in turn fused to a pteridine ring system. It is a conjugate acid of precursor Z(1-) . It is also related to or classified as organonitrogen heterocyclic compound , oxacycle , organic heterotetracyclic compound .
The molecule CC(C)N(CC1=CC=CC=C1)C(=O)C(C)(C)C is a monocarboxylic acid amide that is propanamide substituted by a benzyl and an isopropyl group at the nitrogen atom and two methyl groups at position 2. It is an agrochemical used as a herbicide. It has a role as a xenobiotic, an environmental contaminant, a herbicide and an agrochemical.
The molecule CC(C)(C=C)C1=CC(=C(C2=C1OC3=C(C=CC(=C3C2=O)O)O)OC)O is a member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 2, 5 and 8, methoxy group at position 1 and a 2-methylbut-3-en-2-yl group at position 4. Isolated from the woods of Garcinia subelliptica, it exhibits antioxidant activity. It has a role as a metabolite and an antioxidant. It is a member of xanthones, a polyphenol and an aromatic ether.
The molecule C1=C(CC(C(C1O)O)O)C(=O)O C1=C(CC(C(C1O)O)O)C(=O)O is A cyclohexenecarboxylic acid that is 1-cyclohexene-1-carboxylic acid carrying three hydroxy substituents at positions 3, 4 and 5. It has the role of bacterial metabolite . It is also related to or classified as cyclohexenecarboxylic acid , hydroxy monocarboxylic acid , alpha,beta-unsaturated monocarboxylic acid .
The molecule C=1C=C(C=CC1)C([C@@H]([NH2+]C)C)=O C=1C=C(C=CC1)C([C@@H]([NH2+]C)C)=O is an ammonium ion derivative that is the conjugate acid of (S)-methcathinone obtained from the protonation of the amino group. It is the major species at pH 7.3. It is a conjugate acid of (S)-methcathinone . It is also related to or classified as ammonium ion derivative .
The molecule C[C@@H]1C[C@H]([C@@H]2[C@@]([C@]1(CCC3=COC=C3)O)(CCCC2(C)C)C)OC(=O)C is a labdane diterpenoid that is isolated from the fruits of Vitex rotundifolia. It has a role as a plant metabolite, an apoptosis inducer and an antineoplastic agent. It is a labdane diterpenoid, an acetate ester, a member of furans, a tertiary alcohol and a carbobicyclic compound.
The molecule N1=CN=C2C(N=C(N2[C@@H]3O[C@@H]4COP(O[C@H]4[C@H]3O)(=O)O)N5CCCCC5)=C1N N1=CN=C2C(N=C(N2[C@@H]3O[C@@H]4COP(O[C@H]4[C@H]3O)(=O)O)N5CCCCC5)=C1N is A cyclic adenyl ribonucleotide that is cAMP (cyclic adenosine 3',5'-phosphate) in which the hydrogen at position 8 has been replaced by a piperidin-1-yl group. A selective cAMP-dependent protein kinase A (PKA) activator and cAMP analogue with high selectivity for site A of PKA type I and for site B of PKA type II. It has the role of antineoplastic agent . It has the role of protein kinase A agonist . Its functional parent is 3',5'-cyclic AMP . It is also related to or classified as 3',5'-cyclic purine nucleotide , piperidines , tertiary amino compound , adenyl ribonucleotide .
The molecule CCCCCC1=CC(=CC(=C1)O)O is a member of the class of resorcinols that is resorcinol in which the hydrogen at position 5 is replaced by a pentyl group. It has a role as a lichen metabolite.
The molecule OC(C#N)c1ccccc1 OC(C#N)c1ccccc1 is A cyanohydrin that is phenylacetonitrile in which one of the methylene hydrogens is replaced by a hydroxy group. It is also related to or classified as cyanohydrin  .
The molecule Nc1nc2NC3OC(COP(O)(O)=O)C(O)=C(S)C3Nc2c(=O)[nH]1 Nc1nc2NC3OC(COP(O)(O)=O)C(O)=C(S)C3Nc2c(=O)[nH]1 is an organic heterotricyclic compound consisting of a pyran ring fused to a pteridine ring system. It is also related to or classified as organic heterotricyclic compound , organonitrogen heterocyclic compound , oxacycle .
The molecule OC[C@H]1OC(O[C@@H]2[C@H](O)C(O)O[C@H](CO)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O OC[C@H]1OC(O[C@@H]2[C@H](O)C(O)O[C@H](CO)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O is A (1->3)-linked D-glucosyl-D-mannose compound with undefined stereochemistry at both anomeric centres. It is also related to or classified as D-glucosyl-D-mannose .
The molecule C[C@@H]1[C@H]2[C@@H]([C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O.O is the monohydrate form of doxycycline. A semi-synthetic tetracycline antibiotic, it is used to inhibit bacterial protein synthesis and treat non-gonococcal urethritis and cervicitis, exacerbations of bronchitis in patients with chronic obstructive pulmonary disease (COPD), and adult periodontitis. It has a role as an antibacterial drug. It contains a doxycycline.
The molecule NCCCC(N)(C(F)F)C(O)=O NCCCC(N)(C(F)F)C(O)=O is A fluoroamino acid that is ornithine substituted by a difluoromethyl group at position 2. It has the role of trypanocidal drug . Its functional parent is ornithine .  It is also related to or classified as alpha-amino acid  . It is also related to or classified as fluoroamino acid .
The molecule Nc1ncnc2n([C@@H]3O[C@@H]4COP(O)(=O)O[C@H]4[C@H]3O)c(Br)nc12 Nc1ncnc2n([C@@H]3O[C@@H]4COP(O)(=O)O[C@H]4[C@H]3O)c(Br)nc12 is A 3',5'-cyclic purine nucleotide that is 3',5'-cyclic AMP bearing an additional bromo substituent at position 8 on the adenine ring. An activator of cyclic AMP-dependent protein kinase, but resistant to degradation by cyclic AMP phosphodiesterase. It has the role of antidepressant . It has the role of protein kinase agonist . Its functional parent is 3',5'-cyclic AMP .  It is also related to or classified as organobromine compound  . It is also related to or classified as 3',5'-cyclic purine nucleotide , adenyl ribonucleotide .
The molecule O=[Sn]=O O=[Sn]=O is A tin oxide compound consisting of tin(IV) covalently bound to two oxygen atoms. It is also related to or classified as tin oxide .
The molecule CCCC(C(C(=O)[O-])O)C(=O)[O-] is a dicarboxylic acid dianion resulting from the removal of a proton from both of the carboxylic acid groups of 3-propylmalic acid. It derives from a benzoin. It is a conjugate base of a 3-propylmalic acid.
The molecule CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC is A dihydroceramide compound having a hexacosanoyl group attached to the nitrogen atom. It has the role of Saccharomyces cerevisiae metabolite . Its functional parent is sphinganine . It is also related to or classified as Cer(d44:0)  . It is also related to or classified as N-(very-long-chain fatty acyl)-sphingoid base  . It is also related to or classified as N-acylsphinganine  .
The molecule OC(=O)C(F)(F)F OC(=O)C(F)(F)F is A monocarboxylic acid that is the trifluoro derivative of acetic acid. It has the role of reagent . It has the role of human xenobiotic metabolite . Its functional parent is acetic acid . It is a conjugate acid of trifluoroacetate . It is also related to or classified as fluoroalkanoic acid .
The molecule CCCCCCCCCCCCCCOCC(=O)COP(=O)([O-])[O-] is a 1-alkylglycerone 3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of 1-tetradecylglycerone 3-phosphate; major species at pH 7.3. It is a conjugate base of a 1-tetradecylglycerone 3-phosphate.
The molecule O=C(OCCC(=C[C@@H](C(=O)O)CC=C(C)C)CO)[C@H](C=C(CO)CCO)CC=C(C)C O=C(OCCC(=C[C@@H](C(=O)O)CC=C(C)C)CO)[C@H](C=C(CO)CCO)CC=C(C)C is Sterepinic acid C. It is also related to or classified as medium-chain fatty acid  .
The molecule O(C(C=C(CCC=C(C)C)C)OC)C O(C(C=C(CCC=C(C)C)C)OC)C is A monoterpenoid that is the acetal obtained by formal condensation of citral with methanol. Its functional parent is citral . It is also related to or classified as monoterpenoid , acetal , olefinic compound .
The molecule [C@H]1([C@H]([C@@H](O[C@@H]([C@H]1O[C@@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)CO)CO)OC)O)O[C@@H]3O[C@H]([C@H]([C@H]([C@@H]3O)O)O)C [C@H]1([C@H]([C@@H](O[C@@H]([C@H]1O[C@@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)CO)CO)OC)O)O[C@@H]3O[C@H]([C@H]([C@H]([C@@H]3O)O)O)C is A methyl glycoside that is beta-D-Galp-(1->4)-[alpha-L-Rhap-(1->3)]-beta-D-Glcp (RhaLac) in which the hydroxy group at the reducing-end anomeric centre is methylated. It is also related to or classified as methyl glycoside , trisaccharide derivative .
The molecule CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC is an N-(1,2-saturated acyl)sphinganine having a tetracosanoyl group attached to the nitrogen atom. It has the role of mouse metabolite . It has the role of Saccharomyces cerevisiae metabolite . Its functional parent is tetracosanoic acid . It is also related to or classified as N-(very-long-chain fatty acyl)-sphingoid base  . It is also related to or classified as N-(1,2-saturated acyl)sphinganine  .
The molecule C1(=C(C(=C(C(=C1Br)Br)Br)Br)Br)OC2=C(C(=C(C(=C2Br)Br)Br)Br)Br is a polybromodiphenyl ether that is diphenyl ether in which all of the hydrogens have been replaced by bromines. It has a role as a neurotoxin.
The molecule CCCCCCCCCCCCCC(=O)OC1=CC=CC2=CC=CC=C21 CCCCCCCCCCCCCC(=O)OC1=CC=CC2=CC=CC=C21 is A fatty acid ester obtained by formal condensation of the carboxy group of tetradecanoic acid with the phenolic hydroxy group of 1-naphthol. It has the role of bacterial metabolite . Its functional parent is 1-naphthol . Its functional parent is tetradecanoic acid . It is also related to or classified as fatty acid ester  .
The molecule [C@H]1([C@H]([C@@H](O[C@@H]([C@H]1O[C@@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)CO)CO)OC)NC(=O)C)O[C@@H]3O[C@H]([C@@H]([C@H]([C@H]3O)O)O)C [C@H]1([C@H]([C@@H](O[C@@H]([C@H]1O[C@@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)CO)CO)OC)NC(=O)C)O[C@@H]3O[C@H]([C@@H]([C@H]([C@H]3O)O)O)C is A methyl glycoside that is beta-D-Galp-(1->4)-[alpha-L-Rhap-(1->3)]-beta-D-GlcpNAc (LacLe(x)) in which the hydroxy group at the reducing-end anomeric centre is methylated. It is also related to or classified as methyl glycoside , trisaccharide derivative .
The molecule CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=S)(O)O[C@H]3C[C@@H](O[C@@H]3COP(=S)(O)O[C@H]4C[C@@H](O[C@@H]4COP(=S)(O)O[C@H]5C[C@@H](O[C@@H]5COP(=S)(O)O[C@H]6C[C@@H](O[C@@H]6COP(=S)(O)O[C@H]7C[C@@H](O[C@@H]7COP(=S)(O)O[C@H]8C[C@@H](O[C@@H]8COP(=S)(O)O[C@H]9C[C@@H](O[C@@H]9COP(=S)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O[C@H]1C[C@@H](O[C@@H]1COP(=S)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=S)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=S)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=S)(O)O[C@H]1C[C@@H](O[C@@H]1CO)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C(N=CN=C21)N)S)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=CC(=NC1=O)N)OP(=S)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=NC2=C(N=CN=C21)N)OP(=S)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=CC(=NC1=O)N)OP(=S)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=CC(=NC1=O)N)O is a phosphorothioate oligonucleotide consisting of seven deoxyguanosine, seven deoxycytidine, three deoxyadenosine and four thymidine residues connected by 3'->5' phosphorothioate linkages in the sequence G-C-C-G-A-G-G-T-C-C-A-T-G-T-C-G-T-A-C-G-C. It has a role as an antigen and an antisense oligonucleotide.
The molecule O1C2=C(C=C(O)C3=C2[C@@H]4O[C@@H](C=C[C@@H]4CC3)C)C=CC1(C)C O1C2=C(C=C(O)C3=C2[C@@H]4O[C@@H](C=C[C@@H]4CC3)C)C=CC1(C)C is (-)-euroticin B. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule [H][C@@](COC(C)=O)(COP([O-])(=O)OCC[N+](C)(C)C)OC(C)=O [H][C@@](COC(C)=O)(COP([O-])(=O)OCC[N+](C)(C)C)OC(C)=O is A 1,2-diacyl-sn-glycero-3-phosphocholine in which the acyl groups at C-1 and C-2 contain 36 carbons in total with 5 double bonds. It has the role of metabolite . It is also related to or classified as 1,2-diacyl-sn-glycero-3-phosphocholine  .
The molecule Clc1ccc(Cc2ccc(Cl)cc2)cc1 Clc1ccc(Cc2ccc(Cl)cc2)cc1 is A chlorophenylmethane that is methane in which two of the hydrogens have been replaced by p-chlorophenyl groups. It is also related to or classified as chlorophenylmethane , monochlorobenzenes .