anonymous041/ChEBI-Augmented huggingface dataset:
The molecule O=C(OC)NC1=COC(=C1)C(=O)NC2=COC(=C2)C(=O)N O=C(OC)NC1=COC(=C1)C(=O)NC2=COC(=C2)C(=O)N is Proximicin A. It is also related to or classified as heteroarene  . It is also related to or classified as aromatic amide .
The molecule OC([C@H]1NC([C@](CC1)(CN)O)=O)=O OC([C@H]1NC([C@](CC1)(CN)O)=O)=O is A delta-lactam that is L-pipecolic acid carrying additional hydroxy and aminomethyl substituents at position 5 as well as an oxo substituent at position 6. It has the role of bacterial metabolite . Its functional parent is L-pipecolic acid .   It is also related to or classified as delta-lactam  . It is also related to or classified as amino alcohol , N-acyl-L-alpha-amino acid .
The molecule CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3(C[C@H]([C@H]([C@]34CO4)O2)O)C)CO is a trichothecene mycotoxin produced by Fusarium to which wheat, barley, maize (corn) and their products are susceptible to contamination. It has a role as a mycotoxin. It is a trichothecene, a cyclic ketone, a secondary alpha-hydroxy ketone, a primary alcohol, an enone and a triol.
The molecule OCCN(CCO)CCS(O)(=O)=O OCCN(CCO)CCS(O)(=O)=O is A Good's buffer substance, pKa = 7.15 at 20 degreeC. It is a conjugate acid of 2-[bis(2-hydroxyethyl)amino]ethanesulfonate . It is also related to or classified as amino sulfonic acid , BES .
The molecule CC[C@@H](C)C[C@@H](C)\C=C(C)\C=C\C=C\C(=O)c1c(O)c(cn(O)c1=O)[C@@]1(O)CC[C@H](O)CC1 CC[C@@H](C)C[C@@H](C)\C=C(C)\C=C\C=C\C(=O)c1c(O)c(cn(O)c1=O)[C@@]1(O)CC[C@H](O)CC1 is A pyridine alkaloid that is 1,4-dihydroxypyridin-2(1H)-one substituted by a cis-1,4-dihydroxycyclohexyl group at position 5 and a (2E,4E,6E,8R,10R)-6,8,10-trimethyldodeca-2,4,6-trienoyl moiety at position 3. It is isolated from the mycelium of the entomogenous fungus, Paecilomyces militaris and has been found to induce pronounced neurite sprouting. It has the role of metabolite .   It is also related to or classified as tertiary alcohol  . It is also related to or classified as secondary alcohol  .  It is also related to or classified as enone  . It is also related to or classified as dihydroxypyridine , pyridine alkaloid , pyridone , aromatic ketone .
The molecule CCCCCCC(C/C=C/CCCCCCCC(=O)O)OP(=O)(O)O is a carboxyalkyl phosphate that is (9E)-octadecenoic acid carrying a phosphonooxy substituent at position 12. It derives from an elaidic acid. It is a conjugate acid of a (9E)-12-(phosphonooxy)octadecenoate(3-).
The molecule O=C1C2=C(O)C(=CC=C2C(=O)C3=C1C=C4C(=O)C[C@@](CC4=C3O)(O[C@@H]5O[C@H]([C@@H](O[C@@H]6O[C@H](C(=O)C=C6)C)CC5)C)C)[C@@H]7O[C@@H]([C@H]8O[C@@H]9O[C@@H](C)C(C[C@@H]9O[C@@H]8C7)=O)C O=C1C2=C(O)C(=CC=C2C(=O)C3=C1C=C4C(=O)C[C@@](CC4=C3O)(O[C@@H]5O[C@H]([C@@H](O[C@@H]6O[C@H](C(=O)C=C6)C)CC5)C)C)[C@@H]7O[C@@H]([C@H]8O[C@@H]9O[C@@H](C)C(C[C@@H]9O[C@@H]8C7)=O)C is Grincamycin G. It is also related to or classified as quinone  . It is also related to or classified as tetracenes .
The molecule [H][C@@]12CCCCN1C[C@@H]1C[C@H]2CN2CCCC[C@]12[H] [H][C@@]12CCCCN1C[C@@H]1C[C@H]2CN2CCCC[C@]12[H] is sparteine. It is also related to or classified as quinolizidine alkaloid , quinolizidine alkaloid fundamental parent .
The molecule C[NH+]1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)O is an organic cation that is the conjugate acid of oxycodone, obtained by protonation of the tertiary amino group of oxycodone. It is an ammonium ion derivative and an organic cation. It is a conjugate acid of an oxycodone.
The molecule O=C1C2=C(O)C=3C(=CC(O)=CC3CC(=O)C[C@@H](O)C)C=C2C(=O)C=4C1=C(O)C(=C(O)C4)C O=C1C2=C(O)C=3C(=CC(O)=CC3CC(=O)C[C@@H](O)C)C=C2C(=O)C=4C1=C(O)C(=C(O)C4)C is UCE-6. It is also related to or classified as quinone  . It is also related to or classified as tetracenes .
The molecule C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3CCCCC3)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3CCCCC3)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C is 1-[[(3R,9S,10R)-16-[[(cyclohexylamino)-oxomethyl]amino]-12-[(2S)-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]-1-methyl-3-propan-2-ylurea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCCC(C)(C)C1=CC2=C(C=C1)[C@@H]3CC(=CC[C@H]3C(O2)(C)C)C is a dibenzopyran that is Delta(9)-tetrahydrocannabinol which is lacking the hydroxy group and in which the pentyl group at position 3 has been replaced by a 1,1-dimethylbutyl group. A potent and highly selective CB2 receptor agonist. It has a role as a CB2 receptor agonist, an antineoplastic agent, a vasodilator agent, an anti-inflammatory agent, an apoptosis inhibitor, an analgesic and an opioid analgesic. It is a dibenzopyran, an organic heterotricyclic compound and a benzochromene.
The molecule [O-][N+](=O)NCN[N+]([O-])=O [O-][N+](=O)NCN[N+]([O-])=O is methylenedinitramine. It is also related to or classified as nitramine  . It is also related to or classified as one-carbon compound .
The molecule C1COCO1 is a cyclic acetal that is pentane in which the carbon atoms at positions 1 and 3 are replaced by oxygen atoms respectively. It is a dioxolane and a cyclic acetal.
The molecule CC(C)=CCC\C(CC(O)=O)=C/C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CC(C)=CCC\C(CC(O)=O)=C/C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 is 3-(4-methylpent-3-en-1-yl)pent-2-enedioyl-CoA. Its functional parent is coenzyme A . It is a conjugate acid of 3-(4-methylpent-3-en-1-yl)pent-2-enedioyl-CoA(5-) . It is also related to or classified as 2-enoyl-CoA .
The molecule O=C1Cc2ccccc2C1 O=C1Cc2ccccc2C1 is an indanone with an oxo substituent at position 2. It is a metabolite of indane. It has the role of xenobiotic metabolite . It is also related to or classified as indanone .
The molecule CCC(C(=O)[O-])O is a hydroxy fatty acid anion that is the conjugate base of 2-hydroxybutyric acid, obtained by deprotonation of the carboxy group. It has a role as a human metabolite. It derives from a butyrate. It is a conjugate base of a 2-hydroxybutyric acid.
The molecule ClC1=C2C3=C4C=5[C@@H](OC([C@@H]6[C@]3(O)[C@H](C6)C(C2)=C)(C)C)[C@]7(O)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)[C@]7(O)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 19-hydroxypenitrem A. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule Cc1cc2Nc3c([nH]c(=O)[nH]c3=O)N(C[C@H](O)[C@H](O)[C@H](O)COP([O-])([O-])=O)c2cc1C Cc1cc2Nc3c([nH]c(=O)[nH]c3=O)N(C[C@H](O)[C@H](O)[C@H](O)COP([O-])([O-])=O)c2cc1C is dianion of reduced flavin mononucleotide arising from deprotonation of both phosphate OH groups. It has the role of cofactor . It has the role of Saccharomyces cerevisiae metabolite . It is a conjugate acid of FMNH2(3-) . It is also related to or classified as organophosphate oxoanion .
The molecule C1=CC(=CC=C1N=NC2=CC(=C(C=C2)N)S(=O)(=O)O)S(=O)(=O)O is a member of the class of azobenzenes that is azobenzene in which one of the phenyl groups is substituted at the para position by a sulfo group, while the other is substituted at a meta position by a sulfo group and at the para position by an amino group. The disodium salt is the biological stain 'fast yellow'. It is a member of azobenzenes, an amino sulfonic acid and a primary arylamine. It is a conjugate acid of a 4-aminoazobenzene-3,4'-disulfonate.
The molecule C(CCCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCCCC C(CCCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCCCC is A fluoroalkane that is hexadecane in which all of the hydrogen atoms at positions 1, 2, 3, 4, 5, and 6 have been replaced by fluorine atoms. It has the role of nonionic surfactant . It is also related to or classified as fluoroalkane  . It is also related to or classified as fluorohydrocarbon .
The molecule CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C is a cholesterol ester obtained by the formal condensation of cholesterol with palmitic acid. It has a role as a human metabolite and a mouse metabolite. It derives from a hexadecanoic acid.
The molecule O=C1O[C@](C(=O)OC)(CC2=CC(OC)=C(O)C(=C2)CC(=O)C)C(=C1O)C3=CC=C(OC)C=C3 O=C1O[C@](C(=O)OC)(CC2=CC(OC)=C(O)C(=C2)CC(=O)C)C(=C1O)C3=CC=C(OC)C=C3 is Terrelactone B. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule CC(=O)OC(C)(C)/C=C/C(=O)[C@@](C)([C@H]1[C@@H](C[C@@]2([C@@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3C[C@@H](C(=O)C4(C)C)O)C)C)C)O)O is a cucurbitacin in which a lanostane skeleton is multi-substituted with hydroxy, methyl and oxo substituents, with unsaturation at positions 5 and 23; a hydroxy function at C-25 is acetylated. It is a cucurbitacin, a secondary alpha-hydroxy ketone and a tertiary alpha-hydroxy ketone. It derives from a hydride of a lanostane.
The molecule C=12[N-]C(NC(C1NC=3C(N2C[C@@H]([C@@H]([C@@H](COP([O-])([O-])=O)O)O)O)=CC(=C(C3)C)C)=O)=O C=12[N-]C(NC(C1NC=3C(N2C[C@@H]([C@@H]([C@@H](COP([O-])([O-])=O)O)O)O)=CC(=C(C3)C)C)=O)=O is A organophosphate oxoanion obtained by deprotonation of the phosphate OH groups as well as position N1 of FMNH2. It is also related to or classified as organophosphate oxoanion .
The molecule [C@H]1([C@H](C([C@H]([C@@H](C1[NH+]=C(N)N)O)O)O)O)O is conjugate acid of 1-guanidino-1-deoxy-scyllo-inositol arising from protonation of the guanidino groups; major species at pH 7.3. It is a conjugate acid of a 1-guanidino-1-deoxy-scyllo-inositol.
The molecule Cc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(C)n1 Cc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(C)n1 is A sulfonamide consisting of pyrimidine having methyl substituents at the 2- and 6-positions and a 4-aminobenzenesulfonamido group at the 4-position. It has the role of antiinfective agent . Its functional parent is sulfanilamide .   It is also related to or classified as sulfonamide  . It is also related to or classified as pyrimidines , sulfonamide antibiotic .
The molecule [Ge+4] [Ge+4] is germanium(4+).  It is also related to or classified as monoatomic tetracation  . It is also related to or classified as germanium cation .
The molecule O1CC(C(=O)C2=C1C=C3OC=CC3=C2)C4=C(OC)C=C(OC)C=C4 O1CC(C(=O)C2=C1C=C3OC=CC3=C2)C4=C(OC)C=C(OC)C=C4 is Neoraunone. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O is an iodothyronine compound having iodo substituents at the 3-, 3'- and 5-positions. Although some is produced in the thyroid, most of the 3,3',5-triiodo-L-thyronine in the body is generated by mono-deiodination of L-thyroxine in the peripheral tissues. Its metabolic activity is about 3 to 5 times that of L-thyroxine. The sodium salt is used in the treatment of hypothyroidism. It has the role of thyroid hormone . It has the role of mouse metabolite . It has the role of human metabolite . It is a conjugate acid of 3,3',5-triiodo-L-thyroninate . It is also related to or classified as iodophenol  .  It is also related to or classified as 2-halophenol  . It is also related to or classified as iodothyronine .
The molecule C[C@H]1[C@@]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H]([C@H]2O)O)N=C(N)N)O)N=C(N)N)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)OP(=O)(O)O)NC)(C=O)O is a streptomycin phosphate having the phosphate group placed at the 3''-position. It is a conjugate base of a streptomycin 3''-phosphate(1+).
The molecule CCCCCC1C(O1)C/C=C\\CCCCCCCC(=O)O is a monounsaturated epoxy fatty acid composed of cis-9-octadecenoic acid having a 12,13-epoxy group. It has a role as a plant metabolite. It is an epoxy fatty acid, a monounsaturated fatty acid, a long-chain fatty acid and an epoxyoctadecenoic acid. It derives from an octadec-9-enoic acid. It is a conjugate acid of a vernolate.
The molecule S([C@@]12N(C(=O)[C@]3(SC)CC=4[C@H](N3C1=O)[C@@H](OC(=O)C[C@@H](O)CCCCC)C=CC4)[C@@H]5[C@@H](OC(=O)C[C@@H](O)CCCCC)C=COC=C5C2)C S([C@@]12N(C(=O)[C@]3(SC)CC=4[C@H](N3C1=O)[C@@H](OC(=O)C[C@@H](O)CCCCC)C=CC4)[C@@H]5[C@@H](OC(=O)C[C@@H](O)CCCCC)C=COC=C5C2)C is Graphiumin F. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@H](C)CO)C)CN(C)S(=O)(=O)C C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@H](C)CO)C)CN(C)S(=O)(=O)C is N-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(methylsulfonyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C=1(C=CC(=CC1)COC)O C=1(C=CC(=CC1)COC)O is A member of the class of phenols that is p-cresol in which one of the methyl hydrogens has been replaced by a methoxy group. It has the role of plant metabolite . It is also related to or classified as phenols  .
The molecule CC/C=C\\C/C=C\\C[C@@H](/C=C\\C=C\\C=C\\[C@@H](C/C=C\\CCC(=O)O)O)O is a dihydroxydocosahexaenoic acid that is (4Z,8E,10E,12Z,16Z,19Z)-docosahexaenoic acid in which the two hydroxy substituents are located at the 7R- and 14S-positions. It has a role as an anti-inflammatory agent, a human xenobiotic metabolite, a hepatoprotective agent and a specialised pro-resolving mediator. It is a dihydroxydocosahexaenoic acid and a secondary allylic alcohol. It derives from an all-cis-docosa-4,7,10,13,16,19-hexaenoic acid.
The molecule COC(=O)C1(CO)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H]3C[C@H]1\C(CN23)=C/C COC(=O)C1(CO)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H]3C[C@H]1\C(CN23)=C/C is Akuammidine. It is also related to or classified as methyl ester  . It is also related to or classified as indole alkaloid .
The molecule O1[C@@H](OC=2C(=C(O)C=C(O)C2)C(=O)/C=C/C3=CC=C(O)C=C3)C(O)[C@@H](O)[C@H](O)C1 O1[C@@H](OC=2C(=C(O)C=C(O)C2)C(=O)/C=C/C3=CC=C(O)C=C3)C(O)[C@@H](O)[C@H](O)C1 is Chalconaringenin 2'-xyloside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule O1[C@H]([C@H](OC(=O)C)C(O)C(O)[C@@H]1OC=2C=C3OC(=C(O[C@@H]4OC([C@H](O)C(O)[C@@H]4O)C)C(=O)C3=C(O)C2OC)C5=CC=C(O)C=C5)C O1[C@H]([C@H](OC(=O)C)C(O)C(O)[C@@H]1OC=2C=C3OC(=C(O[C@@H]4OC([C@H](O)C(O)[C@@H]4O)C)C(=O)C3=C(O)C2OC)C5=CC=C(O)C=C5)C is 6-Methoxykaempferol 3-rhamnoside-7-(4'''-acetylrhamnoside). It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule OC(=O)CCC1NC=NC1=O OC(=O)CCC1NC=NC1=O is an imidazol-4-one having a 2-carboxyethyl substituent at the 5-position. It has the role of mouse metabolite . It is a conjugate acid of 5-(2-carboxylatoethyl)-4-oxo-4,5-dihydro-1H-imidazol-5-ide . It is a conjugate acid of 3-(4-oxo-4,5-dihydro-1H-imidazol-5-yl)propanoate(1-) . It is also related to or classified as imidazolone , monocarboxylic acid .
The molecule CC(=O)[O-].[Tl+] is an acetate salt comprising equal numbers of acetate and thallium ions. It has a role as a neurotoxin and an apoptosis inducer. It is a thallium molecular entity and an acetate salt. It contains a thallium(1+).
The molecule O=C1O[C@]2(C(=C)[C@@]34[C@@]1(O[C@@]5(C(=C)[C@@]6(C(OC(=O)[C@H](C6)O)(C)C)C[C@H]([C@]35C)OC(=O)C)[C@@H]2OC(=O)C)[C@H](OC4=O)C)C O=C1O[C@]2(C(=C)[C@@]34[C@@]1(O[C@@]5(C(=C)[C@@]6(C(OC(=O)[C@H](C6)O)(C)C)C[C@H]([C@]35C)OC(=O)C)[C@@H]2OC(=O)C)[C@H](OC4=O)C)C is 2-hydroacetoxydehydroaustin. Its functional parent is hexacarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule CC(=O)OC\C=C(C)\C=C\C=C(C)\C=C\C1=C(C)CCCC1(C)C CC(=O)OC\C=C(C)\C=C\C=C(C)\C=C\C1=C(C)CCCC1(C)C is retinyl acetate. Its functional parent is all-trans-retinol . It is also related to or classified as acetate ester  .
The molecule [C@H](C(NCC(=O)O)=O)(NC(CC[C@@H](C(=O)O)N)=O)CSC(=S)NCCC=1C=CC=CC1 [C@H](C(NCC(=O)O)=O)(NC(CC[C@@H](C(=O)O)N)=O)CSC(=S)NCCC=1C=CC=CC1 is A glutathione conjugate in which the mercapto hydrogen of glutathione has been replaced by a (2-phenylethyl)carbamothioyl group. Its functional parent is phenethyl isothiocyanate . It is a conjugate acid of S-[(2-phenylethyl)carbamothioyl]glutathione(1-) . It is also related to or classified as glutathione conjugate , dithiocarbamic ester .
The molecule CC(=O)OCC[N+](C)(C)C is actylcholine is an ester of acetic acid and choline, which acts as a neurotransmitter. It has a role as a vasodilator agent, a muscarinic agonist, a hormone, a human metabolite, a mouse metabolite and a neurotransmitter. It is an acetate ester and an acylcholine.
The molecule CC(=O)N[C@@H](CCC[C@H]([NH3+])C([O-])=O)C([O-])=O CC(=O)N[C@@H](CCC[C@H]([NH3+])C([O-])=O)C([O-])=O is conjugate base of N-acetyl-LL-2,6-diaminopimelic acid. It is also related to or classified as dicarboxylic acid monoanion .
The molecule Cl.COc1ccc(OC)c(c1)C(O)CNC(=O)CN Cl.COc1ccc(OC)c(c1)C(O)CNC(=O)CN is A hydrochloride resulting from the combination of equimolar amounts of midodrine and hydrogen chloride. Midodrine is a direct-acting sympathomimetic with selective alpha-adrenergic agonist activity. The hydrochloride salt is used as a peripheral vasoconstrictor in the treatment of certain hypotensive states. The main active moiety is its major metabolite, deglymidodrine. It has the role of sympathomimetic agent . It has the role of alpha-adrenergic agonist . It has the role of vasoconstrictor agent . It is also related to or classified as hydrochloride .
The molecule CC1=CC2=C(C3=C(O)C4=CC=CC(O)=C4C(=O)C3=C2N)C(O)=C1 CC1=CC2=C(C3=C(O)C4=CC=CC(O)=C4C(=O)C3=C2N)C(O)=C1 is an organic heterotetracyclic compound that is 10H-benzo[b]fluorene substituted by a methyl group at position 1, hydroxy groups at positions 4, 5 and 9, oxo group at position 10, and an amino group at position 11. It has the role of bacterial metabolite . It is also related to or classified as polyphenol , organic heterotetracyclic compound , primary amino compound .
The molecule [H][C@@]1(CC[C@]2(O)[C@]3([H])CC[C@]4(O)C[C@H](CC[C@]4(C)[C@@]3([H])C[C@@H](O)[C@]12C)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C1=CC(=O)OC1 [H][C@@]1(CC[C@]2(O)[C@]3([H])CC[C@]4(O)C[C@H](CC[C@]4(C)[C@@]3([H])C[C@@H](O)[C@]12C)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C1=CC(=O)OC1 is antioside. Its functional parent is antiogenin . It is also related to or classified as alpha-L-rhamnoside  .
The molecule CC[NH+](CC)CCNC(=O)C1=CC(=C(C=C1OC)[NH3+])Cl.O.[Cl-].[Cl-] is a hydrate that is the monohydrate form of metoclopramide dihydrochloride. It has a role as an antiemetic, a dopaminergic antagonist and a gastrointestinal drug. It is a hydrochloride and a hydrate. It contains a metoclopramide hydrochloride and a metoclopramide(2+).
The molecule O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2cncnc12 O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2cncnc12 is the 5'-monophosphate of 6-deoxyinosine. Its functional parent is inosine . It is also related to or classified as purine ribonucleoside 5'-monophosphate .
The molecule CC(\C=C\C1(O)C(CO)=CC(=O)CC1(C)C)=C\C(O)=O CC(\C=C\C1(O)C(CO)=CC(=O)CC1(C)C)=C\C(O)=O is an oxo monocarboxylic acid that is abscisic acid in which a hydroxymethyl group replaces the methyl substituent beta- to the keto group. Its functional parent is 2-cis-abscisic acid . It is also related to or classified as primary alcohol  . It is also related to or classified as tertiary alcohol  . It is also related to or classified as oxo monocarboxylic acid .
The molecule C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl)[C@@H](C)CO)C)CN(C)C C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl)[C@@H](C)CO)C)CN(C)C is 4-chloro-N-[(3R,9R,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule O(C1=C(C=CC=C1C(O)=O)C)C(=O)C O(C1=C(C=CC=C1C(O)=O)C)C(=O)C is CRESOPYRINE.   It is also related to or classified as carboxylic ester  . It is also related to or classified as benzoic acids , salicylates .
The molecule [C@H](C(NCC(=O)[O-])=O)(NC(CC[C@@H](C(=O)[O-])[NH3+])=O)CSC(=S)NCCC=1C=CC=CC1 [C@H](C(NCC(=O)[O-])=O)(NC(CC[C@@H](C(=O)[O-])[NH3+])=O)CSC(=S)NCCC=1C=CC=CC1 is A peptide anion obtained by deprotonation of both carboxy groups and protonation of the glutamyl amino group of S-[(2-phenylethyl)carbamothioyl]glutathione; major species at pH 7.3. It is also related to or classified as peptide anion .
The molecule C1=CC(=CC(=C1)F)C(=O)O is a fluorobenzoic acid that is benzoic acid substituted by a fluoro group at position 3. It is a conjugate acid of a 3-fluorobenzoate.
The molecule Oc1ccc2ncccc2c1 Oc1ccc2ncccc2c1 is A monohydroxyquinoline that is quinoline substituted by a hydroxy group at position 6. It is also related to or classified as monohydroxyquinoline .
The molecule O=C(N[C@@H](C)C([O-])=O)CCCCCCCCCCCCCCCCC O=C(N[C@@H](C)C([O-])=O)CCCCCCCCCCCCCCCCC is an N-acyl-L-alpha-amino acid anion that is the conjugate base of N-stearoyl-L-alanine, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as N-(fatty acyl)-L-alaninate(1-)  . It is also related to or classified as N-(fatty acyl)-L-alpha-amino acid anion  . It is also related to or classified as N-acyl-L-alpha-amino acid anion  .
The molecule C[S+](C)CC[C@@H](C(=O)[O-])N is a sulfonium betaine that is a conjugate base of S-methyl-L-methionine obtained by the deprotonation of the carboxy group. It is a sulfonium betaine and a methyl-L-methionine. It derives from a L-methioninate. It is a conjugate base of a S-methyl-L-methionine.
The molecule C[C@H]([C@@H]1[C@H]([C@@H]([C@@H](O1)O)O)O)O is a 6-deoxyaltrose that is beta-D-altrofuranose in which the hydroxy group at position 6 has been replaced by a hydrogen.
The molecule O=C1C2=C(OC(=C1)/C=C/C=C/C)O[C@@]3(CC[C@@]4([C@@](C3=C2)(CCC(C4(C)C)=O)CO)O)C O=C1C2=C(OC(=C1)/C=C/C=C/C)O[C@@]3(CC[C@@]4([C@@](C3=C2)(CCC(C4(C)C)=O)CO)O)C is Hebetaeltin D. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule C(=C(/O)\C=C\C(=O)O)\C(CC(=O)O)=O C(=C(/O)\C=C\C(=O)O)\C(CC(=O)O)=O is (2E,4Z)-4-Hydroxy-6-oxo-2,4-octadienedioic acid. It is also related to or classified as enol  . It is also related to or classified as oxo dicarboxylic acid .
The molecule C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)CC3=CC=CC=C3 C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)CC3=CC=CC=C3 is 1-[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(phenylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CNC(=O)/C=C/C(=O)N)N is a member of the family of dapdiamides consisting of alanylleucine, in which one of the methyl hydrogens of alanine is replaced by a fumaramoyl group. It is a dapdiamide, an enamide, a primary carboxamide and a secondary carboxamide. It is a tautomer of a dapdiamide C zwitterion.
The molecule C1(CCCN(C=2C1=CC=CC2)C(C3=CC=C(C=C3)NC(C4=C(C=CC=C4)C)=O)=O)N(C)C.Cl C1(CCCN(C=2C1=CC=CC2)C(C3=CC=C(C=C3)NC(C4=C(C=CC=C4)C)=O)=O)N(C)C.Cl is Mozavaptane hydrochloride. It has the role of aquaretic . It is also related to or classified as benzamides .
The molecule OC(=O)CC/C=C\CC/C=C\CC/C=C\C/C=C\CC/C=C\CC OC(=O)CC/C=C\CC/C=C\CC/C=C\C/C=C\CC/C=C\CC is Clupadonic acid. It is also related to or classified as very long-chain fatty acid  .