anonymous041/ChEBI-Augmented huggingface dataset:
The molecule COC1=C(OC)C(=O)C(CCCCCCCCCCO)=C(C)C1=O COC1=C(OC)C(=O)C(CCCCCCCCCCO)=C(C)C1=O is A member of the class of 1,4-benzoquinones which is substituted by methoxy groups at positions 2 and 3, by a methyl group at positions 5, and by a 10-hydroxydecyl group at positions 6. Initially developed for the treatment of Alzheimer's disease, benefits were modest; it was subsequently found to be of benefit for the symptomatic treatment of Friedreich's ataxia. It has the role of ferroptosis inhibitor . It has the role of antioxidant . It is also related to or classified as 1,4-benzoquinones  . It is also related to or classified as primary alcohol  .
The molecule CCc1c(C)c2cc3[nH]c(cc4nc([C@@H](CCC(=O)OC\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@@H]4C)c4[C@@H](C(=O)OC)C(=O)c5c(C)c(cc1n2)[nH]c45)c(C)c3C=C CCc1c(C)c2cc3[nH]c(cc4nc([C@@H](CCC(=O)OC\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@@H]4C)c4[C@@H](C(=O)OC)C(=O)c5c(C)c(cc1n2)[nH]c45)c(C)c3C=C is pheophytin a. It is a conjugate acid of pheophytin a(1-) . It is also related to or classified as pheophytin  .
The molecule O[C@H]1[C@@]2([C@]([C@]3([C@@]([C@](CC3)([C@@H](CC[C@@H](O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO)CO)C(O)(C)C)C)[H])(C1)C)C)(CC=C6[C@]2(CC[C@H](O[C@@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7O)CO)C6(C)C)[H])[H])C O[C@H]1[C@@]2([C@]([C@]3([C@@]([C@](CC3)([C@@H](CC[C@@H](O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO)CO)C(O)(C)C)C)[H])(C1)C)C)(CC=C6[C@]2(CC[C@H](O[C@@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7O)CO)C6(C)C)[H])[H])C is mogroside IIIE. It has the role of plant metabolite .  It is also related to or classified as beta-D-glucoside  . It is also related to or classified as mogroside .
The molecule O1[C@H]2C(=NCC[C@@H]12)C(O)(C/C=C/C=C/C(=C/C=C/CC)/C)C O1[C@H]2C(=NCC[C@@H]12)C(O)(C/C=C/C=C/C(=C/C=C/CC)/C)C is Nocarditriene.  It is also related to or classified as gitoxigenin  . It is also related to or classified as organonitrogen heterocyclic compound .
The molecule CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C is A coumarin-derived antibiotic obtained from Streptomyces niveus. It has the role of antimicrobial agent . It has the role of antibacterial agent . It has the role of EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor . It has the role of hepatoprotective agent . It has the role of Escherichia coli metabolite . It is a conjugate acid of novobiocin(1-) .  It is also related to or classified as ether  . It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as phenols  . It is also related to or classified as hexoside  . It is also related to or classified as carbamate ester , hydroxycoumarin , monosaccharide derivative .
The molecule O[C@H]1[C@@]2([C@]([C@]3([C@@]([C@](CC3)([C@@H](CC[C@@H](O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO)CO[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)CO)C(O)(C)C)C)[H])(C1)C)C)(CC=C7[C@]2(CC[C@H](O[C@@H]8O[C@@H]([C@@H](O)[C@H](O)[C@H]8O[C@@H]9O[C@@H]([C@@H](O)[C@H](O)[C@H]9O)CO)CO)C7(C)C)[H])[H])C O[C@H]1[C@@]2([C@]([C@]3([C@@]([C@](CC3)([C@@H](CC[C@@H](O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO)CO[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)CO)C(O)(C)C)C)[H])(C1)C)C)(CC=C7[C@]2(CC[C@H](O[C@@H]8O[C@@H]([C@@H](O)[C@H](O)[C@H]8O[C@@H]9O[C@@H]([C@@H](O)[C@H](O)[C@H]9O)CO)CO)C7(C)C)[H])[H])C is mogroside VX. It has the role of plant metabolite .  It is also related to or classified as beta-D-glucoside  . It is also related to or classified as mogroside .
The molecule C1C[C@@]2([C@@]([C@@]3([C@@]1(CC(C=C3)=O)[H])C)(CC[C@@]4(C(=O)CC[C@@]24[H])C)[H])[H] C1C[C@@]2([C@@]([C@@]3([C@@]1(CC(C=C3)=O)[H])C)(CC[C@@]4(C(=O)CC[C@@]24[H])C)[H])[H] is A 3-oxo Delta(1)-steroid that is androst-1-ene substituted by oxo groups at positions 3 and 17. It has the role of human urinary metabolite . It is also related to or classified as 17-oxo steroid  . It is also related to or classified as 3-oxo-Delta(1) steroid  . It is also related to or classified as androstanoid .
The molecule OC(=O)\C=C\CCCCCCCCCC OC(=O)\C=C\CCCCCCCCCC is 3-n-decyl acrylic acid. It is also related to or classified as long-chain fatty acid  .
The molecule [O-]C(=O)CN(CCOCCOCCN(CC([O-])=O)CC([O-])=O)CC([O-])=O [O-]C(=O)CN(CCOCCOCCN(CC([O-])=O)CC([O-])=O)CC([O-])=O is ethylene glycol bis(2-aminoethyl)tetraacetate. Its functional parent is ethylene glycol . It is also related to or classified as tetracarboxylic acid anion .
The molecule CC(=O)N[C@@H](CSC1=CC=CC=C1)C([O-])=O CC(=O)N[C@@H](CSC1=CC=CC=C1)C([O-])=O is an S-substituted N-acetyl-L-cysteinate that is the conjugate base of N-acetyl-S-phenyl-L-cysteine resulting from the deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as S-substituted N-acetyl-L-cysteinate  .
The molecule CCOC CCOC is an ether that is the methyl ether derivative of ethanol. It has the role of Lewis base . Its functional parent is ethanol . It is also related to or classified as ether  .
The molecule ClC(Cl)(CCC[C@H](OC(=O)C=1N=C([C@H](O)COC(=O)C[C@@H](O)[C@@H](NC(=O)CCC)CC(C)C)SC1)[C@@H](C(=O)O[C@H](C=2SC=C(N2)C(=O)OC)C(O)(C)C)C)C ClC(Cl)(CCC[C@H](OC(=O)C=1N=C([C@H](O)COC(=O)C[C@@H](O)[C@@H](NC(=O)CCC)CC(C)C)SC1)[C@@H](C(=O)O[C@H](C=2SC=C(N2)C(=O)OC)C(O)(C)C)C)C is Lyngbyabellin P. Its functional parent is tetracarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule [H]O[Mo]([O-])(=O)=O [H]O[Mo]([O-])(=O)=O is A monovalent inorganic anion that consists of molybdic acid where one of the two OH groups has been deprotonated. It is a conjugate acid of molybdate . It is also related to or classified as molybdenum oxoanion , monovalent inorganic anion .
The molecule C1=CC=C(C2=C1C(=CN2)C(C(C3=CNC=4C3=CC=CC4Cl)C(C(=O)[O-])=[NH2+])C(C(=O)[O-])=[NH2+])Cl C1=CC=C(C2=C1C(=CN2)C(C(C3=CNC=4C3=CC=CC4Cl)C(C(=O)[O-])=[NH2+])C(C(=O)[O-])=[NH2+])Cl is A zwitterion that is derived from 3,4-bis(7-chloroindol-3-yl)-2,5-diiminohexanedioic acid by deprotonation of both carboxylic acid groups and protonation of both amino groups; major species at pH 7.3. It is also related to or classified as zwitterion  .
The molecule F[Mo-4](F)(F)(F)(F)(F)(F)F F[Mo-4](F)(F)(F)(F)(F)(F)F is octafluoromolybdate(4-). It is also related to or classified as molybdenum coordination entity , perfluorometallate anion .
The molecule S(OC1C(O)(COC1OC2C(O)C(O)C(OC2OC=3C=C4OC(=CC(=O)C4=C(O)C3)C5=CC=C(O)C=C5)COC(=O)C)CO)(O)(=O)=O S(OC1C(O)(COC1OC2C(O)C(O)C(OC2OC=3C=C4OC(=CC(=O)C4=C(O)C3)C5=CC=C(O)C=C5)COC(=O)C)CO)(O)(=O)=O is [2-({6-[(acetyloxy)methyl]-4,5-dihydroxy-2-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-3-yl}oxy)-4-hydroxy-4-(hydroxymethyl)oxolan-3-yl]oxidanesulfonic acid. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule COCCO COCCO is A hydroxyether that is ethanol substituted by a methoxy group at position 2. It has the role of solvent . It has the role of protic solvent . It is also related to or classified as glycol ether .
The molecule [O-]S(=O)(=O)Oc1ccccc1 [O-]S(=O)(=O)Oc1ccccc1 is A phenyl sulfate oxoanion resulting from the removal of a proton from the hydrogen sulfate group of phenyl hydrogen sulfate. Major structure at pH 7.3. It is also related to or classified as phenyl sulfate oxoanion  .
The molecule O=C/1N(O)[C@H](C(=O)N\C1=C/C2=CC=C(OC/C=C(/CC[C@H](O)C(O)(C)C)\C)C=C2)C O=C/1N(O)[C@H](C(=O)N\C1=C/C2=CC=C(OC/C=C(/CC[C@H](O)C(O)(C)C)\C)C=C2)C is Janthinolide B. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C1=CC=CC2=C1C(=CN2)C(C(C3=CNC=4C3=CC=CC4)C(C(=O)O)=N)C(C(=O)O)=N C1=CC=CC2=C1C(=CN2)C(C(C3=CNC=4C3=CC=CC4)C(C(=O)O)=N)C(C(=O)O)=N is A member of the class of indoles obtained by dimerisation of 2-imino-3-(indol-3-yl)propanoic acid. An intermediate in the biosynthesis of violacein. It has the role of bacterial metabolite . Its functional parent is 2-imino-3-(indol-3-yl)propanoic acid .  It is also related to or classified as ketimine  . It is also related to or classified as indoles , dicarboxylic acid .
The molecule OS(=O)(=O)CCN1CCN(CC1)CCS(O)(=O)=O OS(=O)(=O)CCN1CCN(CC1)CCS(O)(=O)=O is A Good's buffer substance, pKa = 6.8 at 20 degreeC. It is a conjugate acid of 2,2'-piperazine-1,4-diylbisethanesulfonate . It is also related to or classified as PIPES .
The molecule C[C@H](OS([O-])(=O)=O)C([O-])=O C[C@H](OS([O-])(=O)=O)C([O-])=O is an organosulfate oxoanion arising from deprotonation of the sulfo and carboxy groups of (S)-2-O-sulfolactic acid. It is also related to or classified as monocarboxylic acid anion  . It is also related to or classified as organosulfate oxoanion  .
The molecule COC(=O)CCC(N)C(O)=O COC(=O)CCC(N)C(O)=O is A glutamic acid derivative that is glutamic acid in which the carboxy group at position 5 has been replaced by a methoxycarbonyl group.  It is also related to or classified as methyl ester  . It is also related to or classified as glutamic acid derivative , non-proteinogenic alpha-amino acid .
The molecule Br[Au-](Br)(Br)Br Br[Au-](Br)(Br)Br is tetrabromoaurate(1-). It is also related to or classified as gold coordination entity , perbromometallate anion .
The molecule BrC1=C(OC)C(O)=C(O)C(=C1C)OC BrC1=C(OC)C(O)=C(O)C(=C1C)OC is Alcalinaphenol E. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])[C@@H](O)C[C@@]1(C)[C@@]2([H])CC[C@]1(O)C(=O)COC(=O)CCCCC [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])[C@@H](O)C[C@@]1(C)[C@@]2([H])CC[C@]1(O)C(=O)COC(=O)CCCCC is the 21-O-hexanoyl derivative of hydrocortisone. Its functional parent is cortisol . It is also related to or classified as tertiary 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(4) steroid  . It is also related to or classified as hexanoate ester  . It is also related to or classified as cortisol ester , glucocorticoid , 17alpha-hydroxy steroid , 20-oxo steroid .
The molecule C1CCC1 C1CCC1 is cyclobutane.  It is also related to or classified as cycloalkane  . It is also related to or classified as cyclobutanes .
The molecule C1=CC=CC2=C1C(=CN2)C(C(C3=CNC=4C3=CC=CC4)C(C(=O)[O-])=[NH2+])C(C(=O)[O-])=[NH2+] C1=CC=CC2=C1C(=CN2)C(C(C3=CNC=4C3=CC=CC4)C(C(=O)[O-])=[NH2+])C(C(=O)[O-])=[NH2+] is A zwitterion that is derived from 2,5-diimino-3,4-bis(indol-3-yl)hexanedioic acid by deprotonation of both carboxylic acid groups and protonation of both amino groups; major species at pH 7.3. It has the role of bacterial metabolite . It is also related to or classified as zwitterion  .
The molecule OC(=O)c1ccccc1[N+]([O-])=O OC(=O)c1ccccc1[N+]([O-])=O is A nitrobenzoic acid carrying the nitro substituent at position 2. Its functional parent is benzoic acid . It is a conjugate acid of 2-nitrobenzoate . It is also related to or classified as nitrobenzoic acid .
The molecule C[C@@H](OS(O)(=O)=O)C(O)=O C[C@@H](OS(O)(=O)=O)C(O)=O is the (R)-enantiomer of 2-O-sulfolactic acid. It is a conjugate acid of (R)-2-O-sulfonatolactate(2-) . It is also related to or classified as 2-O-sulfolactic acid  .
The molecule O1C([C@@H](O)C(O)C(O)[C@H]1OC2=C(OC)C=C(C=C2)C=3OC=4C(C(=O)C3OC)=C(O)C(OC)=C(OC)C4)CO O1C([C@@H](O)C(O)C(O)[C@H]1OC2=C(OC)C=C(C=C2)C=3OC=4C(C(=O)C3OC)=C(O)C(OC)=C(OC)C4)CO is Chrysosplenin. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule O=C(\C=C\c1ccccc1)c1ccccc1 O=C(\C=C\c1ccccc1)c1ccccc1 is the trans-isomer of chalcone. It has the role of EC 3.2.1.1 (alpha-amylase) inhibitor . It is also related to or classified as chalcone  .
The molecule O=C1C2=C(O)C3=C(OC)C(=CC=C3C=C2C(=O)C4=C1CC[C@@](C4)(O)C)C O=C1C2=C(O)C3=C(OC)C(=CC=C3C=C2C(=O)C4=C1CC[C@@](C4)(O)C)C is M-4. It is also related to or classified as quinone  . It is also related to or classified as tetracenes .
The molecule CC(OS(O)(=O)=O)C(O)=O CC(OS(O)(=O)=O)C(O)=O is 2-O-sulfolactic acid. Its functional parent is rac-lactic acid . It is also related to or classified as carboxyalkyl sulfate .
The molecule C(COP(=O)(O)O)(=O)[H] C(COP(=O)(O)O)(=O)[H] is A member of the class of aldehydes that is glycolaldehyde in which the hydroxy hydrogen has been replaced by a phospho group. Its functional parent is glycolaldehyde . It is a conjugate acid of glycolaldehyde phosphate(2-) . It is also related to or classified as aldehyde  . It is also related to or classified as monoalkyl phosphate .
The molecule [O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O [O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O is A tetracarboxylic acid anion formed by deprotonation of all four carboxy groups in ethylenediaminetetraacetic acid (EDTA). It is also related to or classified as tetracarboxylic acid anion .
The molecule COc1cc2CCn3c(cc4c(C=C)cncc4c3=O)-c2cc1O COc1cc2CCn3c(cc4c(C=C)cncc4c3=O)-c2cc1O is A member of the class of isoquinolinonaphthyridines that is 5,6-dihydroisoquinolino[2,1-b][2,7]naphthyridin-8-one bearing additional hydroxy, methoxy and vinyl substituents at positions 2, 3 and 12 respectively. It has the role of plant metabolite .  It is also related to or classified as phenols  .  It is also related to or classified as isoquinolinonaphthyridine  . It is also related to or classified as isoquinoline alkaloid , aromatic ether , benzopyridoquinolizidine derivative , olefinic compound .
The molecule OC[C@H]1O[C@H](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]1O[C@H](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 glycosylglucose consisting of D-glucose with undefined anomeric stereochemistry and an alpha-D-glucosyl residue attached at the 3-position. It is also related to or classified as glycosylglucose .
The molecule CC(CO)=CCNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O CC(CO)=CCNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O is an N-glycosylzeatin that is zeatin in which the hydrogen attached to the nitrogen at position 9 of the adenine moiety is replaced by a beta-D-ribofuranosyl group. It has the role of cytokinin . Its functional parent is N-ribosyl-N(6)-isopentenyladenine . It is also related to or classified as adenosines , N-glycosylzeatin .
The molecule C=1(C=C(C(O)=CC1)O)C(CNCCCCCCNCC(C2=CC(=C(C=C2)O)O)O)O.S(O)(O)(=O)=O C=1(C=C(C(O)=CC1)O)C(CNCCCCCCNCC(C2=CC(=C(C=C2)O)O)O)O.S(O)(O)(=O)=O is hexoprenaline sulfate. Its functional parent is hexoprenaline . It is also related to or classified as ethanolamine sulfate salt .
The molecule C(COP(=O)([O-])[O-])(=O)[H] C(COP(=O)([O-])[O-])(=O)[H] is an organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of glycolaldehyde phosphate; major microspecies at pH 7.3. It is also related to or classified as organophosphate oxoanion .
The molecule O[C@H]1[C@@]2([C@]([C@]3([C@@]([C@](CC3)([C@@H](CC[C@@H](O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO)C(O)(C)C)C)[H])(C1)C)C)(CC=C6[C@]2(CC[C@H](O[C@@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7O[C@@H]8O[C@@H]([C@@H](O)[C@H](O)[C@H]8O)CO)CO)C6(C)C)[H])[H])C O[C@H]1[C@@]2([C@]([C@]3([C@@]([C@](CC3)([C@@H](CC[C@@H](O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO)C(O)(C)C)C)[H])(C1)C)C)(CC=C6[C@]2(CC[C@H](O[C@@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7O[C@@H]8O[C@@H]([C@@H](O)[C@H](O)[C@H]8O)CO)CO)C6(C)C)[H])[H])C is mogroside IVX. It has the role of plant metabolite .  It is also related to or classified as beta-D-glucoside  . It is also related to or classified as mogroside .
The molecule S1C(C(NC(=O)C(N)CO)C1(C)C)(C)C S1C(C(NC(=O)C(N)CO)C1(C)C)(C)C is 2-amino-3-hydroxy-N-(2,2,4,4-tetramethylthietan-3-yl)propanimidic acid. It is also related to or classified as saturated organic heteromonocyclic parent , organosulfur heterocyclic compound .
The molecule OC[C@H]1O[C@H](OC[C@H]2OC(O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O OC[C@H]1O[C@H](OC[C@H]2OC(O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O is A glycosylglucose consisting of two D-glucopyranose units connected by an alpha-(1->6)-linkage. It has the role of metabolite . It has the role of mouse metabolite . It has the role of human metabolite . It is also related to or classified as glycosylglucose .
The molecule O=C1N[C@@H](C(=O)N(C1=CC2=CC=CC=C2)C)CCCO O=C1N[C@@H](C(=O)N(C1=CC2=CC=CC=C2)C)CCCO is Pinodiketopiperazine A. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O is A galactopyranose having D-configuration. It has the role of mouse metabolite . It has the role of Escherichia coli metabolite . It is also related to or classified as D-galactose  . It is also related to or classified as galactopyranose  .
The molecule OC(=O)CCCCCCCCCCCCCCCC([2H])([2H])[2H] OC(=O)CCCCCCCCCCCCCCCC([2H])([2H])[2H] is Margaric acid(d3). It is also related to or classified as long-chain fatty acid  . It is also related to or classified as deuterated fatty acid .
The molecule FC(F)(F)C12C(F)(F)C3(F)C(F)(F)C(F)(C(F)(F)C(F)(C3(F)F)C1(F)F)C2(F)F FC(F)(F)C12C(F)(F)C3(F)C(F)(F)C(F)(C(F)(F)C(F)(C3(F)F)C1(F)F)C2(F)F is perfluoro-1-methyladamantane. Its functional parent is 1-methyladamantane . It is also related to or classified as fluorocarbon  . It is also related to or classified as adamantanes .
The molecule [O-]C(=O)c1ccccc1[N+]([O-])=O [O-]C(=O)c1ccccc1[N+]([O-])=O is 2-nitrobenzoate. Its functional parent is benzoate . It is also related to or classified as nitrobenzoate .
The molecule O=C1C(C(=O)N)=CN(CCO)C(=C1)[C@@H](OC(=O)C)C2=CC=CC=C2 O=C1C(C(=O)N)=CN(CCO)C(=C1)[C@@H](OC(=O)C)C2=CC=CC=C2 is Penipyridone E. Its functional parent is benzyl alcohol . It is also related to or classified as carboxylic ester  .
The molecule ClC1=C2C3=C4C=5[C@@H](OC([C@@H]6[C@]3(O)[C@H](C6)C(C2)=C)(C)C)C7(OC)CC[C@@]8([C@@]([C@]7(C5NC4=C1)C)(CC[C@H]9[C@@]8%10O[C@@H]%10[C@@H](O)[C@H](O9)C(=C)C)C)O ClC1=C2C3=C4C=5[C@@H](OC([C@@H]6[C@]3(O)[C@H](C6)C(C2)=C)(C)C)C7(OC)CC[C@@]8([C@@]([C@]7(C5NC4=C1)C)(CC[C@H]9[C@@]8%10O[C@@H]%10[C@@H](O)[C@H](O9)C(=C)C)C)O is Penitrem H. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule CN\C(NCCS(=O)Cc1nc[nH]c1C)=N\C#N CN\C(NCCS(=O)Cc1nc[nH]c1C)=N\C#N is cimetidine S-oxide. Its functional parent is cimetidine . It is also related to or classified as sulfoxide  .
The molecule O[C@@H]1[C@H](Oc2cc([O-])cc(O)c2C1=O)c1ccc(O)c(O)c1 O[C@@H]1[C@H](Oc2cc([O-])cc(O)c2C1=O)c1ccc(O)c(O)c1 is A flavonoid oxoanion that is the conjugate base of (+)-taxifolin, arising from selective deprotonation of the 7-hydroxy group; major species at pH 7.3. It is also related to or classified as flavonoid oxoanion .
The molecule [C@H]1([C@@H]([C@@H]([C@@H](O)C(O1)O)O)O)COS(O)(=O)=O [C@H]1([C@@H]([C@@H]([C@@H](O)C(O1)O)O)O)COS(O)(=O)=O is A monosaccharide sulfate that is D-galactose carrying a single sulfo substituent at position 6. Its functional parent is D-galactopyranose . It is also related to or classified as monosaccharide sulfate .
The molecule CCCCCCCCCCCCCCCCCCCCCCCCCCCCO CCCCCCCCCCCCCCCCCCCCCCCCCCCCO is an ultra-long-chain primary fatty alcohol that is octacosane in which a hydrogen attached to one of the terminal carbons is replaced by a hydroxy group. It has the role of plant metabolite . It is also related to or classified as ultra-long-chain primary fatty alcohol  . It is also related to or classified as fatty alcohol 28:0  .
The molecule NCCCCNC(N)=N NCCCCNC(N)=N is agmatine. It has the role of mouse metabolite . It has the role of Escherichia coli metabolite . It is also related to or classified as guanidines , primary amino compound .
The molecule O1C(=C[C@@]2(CCC[C@@]2([C@]13OC(C)(C)[C@@H](C3)O)C)C)C/C(=C/CC4=C(O)C(=CC(=C4)OC)C)/C O1C(=C[C@@]2(CCC[C@@]2([C@]13OC(C)(C)[C@@H](C3)O)C)C)C/C(=C/CC4=C(O)C(=CC(=C4)OC)C)/C is (7S,11S,12S,14R)-4'-methoxyamentol. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule C(=C/C1=CC=C(C=C1)OC)\C=2C=C(C=C(C2)O)O C(=C/C1=CC=C(C=C1)OC)\C=2C=C(C=C(C2)O)O is 4'-O-methyl-trans-resveratrol. Its functional parent is trans-resveratrol . It is also related to or classified as ether  .
The molecule OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)[n+]1cccc(c1)C(O)=O OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)[n+]1cccc(c1)C(O)=O is A pyridine nucleoside consisting of nicotinic acid with a beta-D-ribofuranosyl moiety at the 1-position. It has the role of mouse metabolite . Its functional parent is nicotinic acid . It is a conjugate acid of D-ribosylnicotinate . It is also related to or classified as pyridine nucleoside .
The molecule ONc1ccccc1C(O)=O ONc1ccccc1C(O)=O is an  aminobenzoic acid that is benzoic acid substutited by a hydroxyamino group at position 2. It has the role of bacterial metabolite . It is also related to or classified as aminobenzoic acid , hydroxylamines .
The molecule Cl.COc1cccc(c1)[C@@]1(O)CCCC[C@@H]1CN(C)C Cl.COc1cccc(c1)[C@@]1(O)CCCC[C@@H]1CN(C)C is A hydrochloride resulting from the reaction of (R,R)-tramadol with 1 molar equivalent of hydrogen chloride; the (R,R)-enantiomer of the racemic opioid analgesic tramadol hydrochloride, it exhibits ten-fold higher analgesic potency than the (S,S)-enantiomer. It has the role of opioid analgesic . It has the role of adrenergic uptake inhibitor . It has the role of serotonergic antagonist . It has the role of muscarinic antagonist . It has the role of nicotinic antagonist . It has the role of serotonin uptake inhibitor . It has the role of antitussive . It has the role of mu-opioid receptor agonist . It has the role of kappa-opioid receptor agonist . It has the role of NMDA receptor antagonist . It has the role of delta-opioid receptor agonist . It has the role of capsaicin receptor antagonist . It is also related to or classified as hydrochloride .
The molecule [NH3+]CCCCCC([O-])=O [NH3+]CCCCCC([O-])=O is zwitterionic form of 6-aminohexanoic acid arising from migration of a proton from the carboxy group to the amino group; major species at pH 7.3. It is a conjugate acid of 6-aminohexanoate . It is also related to or classified as amino-acid zwitterion .
The molecule C\C(CO)=C\CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O C\C(CO)=C\CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O is A 9-ribosylzeatin having cis-zeatin as the nucleobase. It has the role of cytokinin . It is also related to or classified as 9-ribosylzeatin  .
The molecule F[Au-](F)(F)(F)(F)F F[Au-](F)(F)(F)(F)F is hexafluoroaurate(1-). It is also related to or classified as gold coordination entity , perfluorometallate anion .
The molecule O1[C@@H](N2C=C(C(=N)C=C2)C(=O)O)[C@H](O)[C@H](O)[C@H]1CO O1[C@@H](N2C=C(C(=N)C=C2)C(=O)O)[C@H](O)[C@H](O)[C@H]1CO is A pyridine nucleoside comprising 4-imino-1,4-dihydro-3-pyridinecarboxylic acid as the nucleobase having the beta-ribofuranosyl moiety attached at position 1. A toxin produced by poisonous mushrooms. It has the role of toxin . It has the role of fungal metabolite . Its functional parent is D-ribosylnicotinic acid . It is also related to or classified as imine  . It is also related to or classified as pyridinemonocarboxylic acid , pyridine nucleoside .
The molecule CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CN[C@H]1C[C@@H]([C@H]([C@@H]([C@H]1O)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O is an N-acyl-1-deoxy-4-hydroxysphinganine in which the acyl group on nitrogen is hexacosanoyl and in which C-1 is substituted by a cyclitolic [(1S,2S,3R,4R,5S)-2,3,4,5-tetrahydroxycyclohexyl] amino group. It is a synthetic analogue of the CD1d-presented agonist alpha-galactosylceramide. It has a role as an epitope. It is an amino cyclitol and a N-acyl-1-deoxy-4-hydroxysphinganine.
The molecule OC1(O)C23N(CC1)C(=NC(C3N=C(N2)N)COC(=O)NO)N OC1(O)C23N(CC1)C(=NC(C3N=C(N2)N)COC(=O)NO)N is N'-Hydroxysaxitoxin. It has the role of marine metabolite . It is also related to or classified as organic heterotricyclic compound .