anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C[C@H]1[C@@H](C[C@H]([C@@H](O1)O[C@H](C)CCCCCCC(=O)O)O)O is an (omega-1)-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (8R)-8-hydroxynonanoic acid with ascarylopyranose (the alpha anomer). A metabolite of the nematode Caenorhabditis elegans, it is the direct biosynthetic precursor to ascr#3. It has also been detected in the sour paste nematode, Panagrellus redivivus. It has a role as a Caenorhabditis elegans metabolite. It is a monocarboxylic acid and an (omega-1)-hydroxy fatty acid ascaroside. It derives from an (8R)-8-hydroxynonanoic acid. It is a conjugate acid of an ascr#10(1-).
The molecule O.[Na+].Nc1c(CC([O-])=O)cccc1C(=O)c1ccccc1 O.[Na+].Nc1c(CC([O-])=O)cccc1C(=O)c1ccccc1 is A hydrate that is the monohydrate of the sodium salt of amfenac. It has the role of non-steroidal anti-inflammatory drug . It has the role of non-narcotic analgesic . It has the role of antipyretic . It has the role of cyclooxygenase 2 inhibitor . It has the role of cyclooxygenase 1 inhibitor . It is also related to or classified as hydrate .
The molecule C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O is a myricetin O-glucuronide that is myricetin with a beta-D-glucosiduronic acid residue attached at the 3-position. It has a role as a metabolite. It is a myricetin O-glucuronide, a pentahydroxyflavone and a monosaccharide derivative.
The molecule CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](/C=C/CCCCCCCCCC(C)C)O is an N-acyl-15-methylhexadecasphing-4-enine in which the acyl group has 23 carbons and 0 double bonds. It has a role as a Caenorhabditis elegans metabolite. It is a N-acyl-15-methylhexadecasphing-4-enine and a Cer(d40:1). It derives from a 15-methylhexadecasphing-4-enine.
The molecule ClC(C1OC2=C(C1)C=3N(C=4C(C(=O)C3C(O)=C2)=CC=CC4)C)(CO)CO ClC(C1OC2=C(C1)C=3N(C=4C(C(=O)C3C(O)=C2)=CC=CC4)C)(CO)CO is gravacridonolchlorine. Its functional parent is acridone . It is also related to or classified as acridines .
The molecule CCC/C(=C/C(N[C@H](C(O)=O)CCC(N)=O)=O)/C CCC/C(=C/C(N[C@H](C(O)=O)CCC(N)=O)=O)/C is an N(2)-acyl-L-glutamine resulting from the formal condensation of the alpha-amino group of L-glutamine with the carboxy group of (2E)-3-methylhex-2-enoic acid. It is a conjugate acid of N(2)-[(2E)-3-methylhex-2-enoyl]-L-glutaminate . It is also related to or classified as primary carboxamide  . It is also related to or classified as secondary carboxamide  . It is also related to or classified as N(2)-acyl-L-glutamine  .
The molecule N12[C@](CC1=O)(C[C@H]([C@H]2C(=O)[O-])SCCNC(CCNC(=O)[C@@H](C(CO)(C)C)O)=O)[H] N12[C@](CC1=O)(C[C@H]([C@H]2C(=O)[O-])SCCNC(CCNC(=O)[C@@H](C(CO)(C)C)O)=O)[H] is major species at pH 7.3. It is also related to or classified as monocarboxylic acid anion  .
The molecule CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/COP(=O)([O-])OP(=O)([O-])[O-])/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)C is an all-trans-polyprenyl diphosphate(3-) arising from deprotonation of the diphosphate OH groups of all-trans-dodecaprenyl diphosphate; major species at pH 7.3. It has a role as a human metabolite. It is a conjugate base of an all-trans-dodecaprenyl diphosphate.
The molecule O=C1N[C@H](C(=O)N2[C@@]1(O)CCC2)C(C)C O=C1N[C@H](C(=O)N2[C@@]1(O)CCC2)C(C)C is Staphyloamide B. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CC(=O)N[C@@H](CCC[C@@H](C(=O)O)N)C(=O)O is an amino dicarboxylic acid. It derives from a LL-2,6-diaminopimelic acid. It is a conjugate acid of a N-acetyl-LL-2,6-diaminopimelate(1-) and a N-acetyl-LL-2,6-diaminopimelate(2-).
The molecule C1[C@@]2([C@]3(CC[C@]4(C)[C@](CC[C@]4([C@@]3(CC=C2C[C@H](C1)OS(O)(=O)=O)[H])[H])(C(COS(O)(=O)=O)=O)[H])[H])C C1[C@@]2([C@]3(CC[C@]4(C)[C@](CC[C@]4([C@@]3(CC=C2C[C@H](C1)OS(O)(=O)=O)[H])[H])(C(COS(O)(=O)=O)=O)[H])[H])C is A steroid sulfate that is 21-hydroxypregnenolone in which both hydroxy hydrogens have been replaced by sulfo groups. It has the role of human blood serum metabolite . Its functional parent is 21-hydroxypregnenolone . It is a conjugate acid of 21-hydroxypregnenolone disulfate anion . It is a conjugate acid of 21-hydroxypregnenolone disulfate(2-) . It is also related to or classified as steroid sulfate , 20-oxo steroid .
The molecule [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(CCCCCC(C)C)=O)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(CCCCCC(C)C)=O)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O is an acyl-CoA oxoanion resulting from the removal of all four protons from the phosphate groups of 7-methyloctanoyl-CoA. Major species at pH 7.3. It is also related to or classified as acyl-CoA oxoanion .
The molecule [H+].NC(=N)NC(=O)c1nc(Cl)c(N)nc1N [H+].NC(=N)NC(=O)c1nc(Cl)c(N)nc1N is an organic cation obtained by protonation of amiloride. It is a conjugate acid of amiloride . It is also related to or classified as organic cation .
The molecule [O-]C(=O)CC[C@H]([C@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)NCCc1ccc(OCc2coc(CNC=O)c2)cc1)C([O-])=O)C([O-])=O)C([O-])=O)C([O-])=O [O-]C(=O)CC[C@H]([C@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)NCCc1ccc(OCc2coc(CNC=O)c2)cc1)C([O-])=O)C([O-])=O)C([O-])=O)C([O-])=O is pentacarboxylate anion of N-formylmethanofuran; major species at pH 7.3. It is also related to or classified as peptide anion .
The molecule CCCC(CC(N[C@H](C(O)=O)CCC(N)=O)=O)(C)O CCCC(CC(N[C@H](C(O)=O)CCC(N)=O)=O)(C)O is an N(2)-acyl-L-glutamine that has 3-hydroxy-3-methylhexanoyl as the N(2)-acyl group. Its functional parent is 3-hydroxy-3-methylhexanoic acid . It is a conjugate acid of N(2)-(3-hydroxy-3-methylhexanoyl)-L-glutaminate . It is also related to or classified as primary carboxamide  . It is also related to or classified as secondary carboxamide  . It is also related to or classified as N(2)-acyl-L-glutamine  . It is also related to or classified as tertiary alcohol  .
The molecule O=C1OC(/C(=C/[C@H](CC)C)/C)=CC=2C1=C(O)C3=C(C=C(OC)[C@@](C3=O)(O)CC(=O)C)C2 O=C1OC(/C(=C/[C@H](CC)C)/C)=CC=2C1=C(O)C3=C(C=C(OC)[C@@](C3=O)(O)CC(=O)C)C2 is Peyronetide C. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule C[C@H](CNC(=O)CC[C@]1(C)[C@@H](CC(N)=O)[C@H]2N3C1=C(C)C1=[N+]4C(=CC5=[N+]6C(=C(C)C7=[N+]([C@]2(C)[C@@](C)(CC(N)=O)[C@@H]7CCC(N)=O)[Co--]346C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@](C)(CC(N)=O)[C@@H]5CCC(N)=O)C(C)(C)[C@@H]1CCC(N)=O)OP([O-])([O-])=O C[C@H](CNC(=O)CC[C@]1(C)[C@@H](CC(N)=O)[C@H]2N3C1=C(C)C1=[N+]4C(=CC5=[N+]6C(=C(C)C7=[N+]([C@]2(C)[C@@](C)(CC(N)=O)[C@@H]7CCC(N)=O)[Co--]346C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@](C)(CC(N)=O)[C@@H]5CCC(N)=O)C(C)(C)[C@@H]1CCC(N)=O)OP([O-])([O-])=O is an organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of adenosylcobinamide phosphate. It is also related to or classified as organophosphate oxoanion .
The molecule C(CCNCC(=O)[C@@H]([C@@H]([C@@H](CO)O)O)O)C[C@@H](C(=O)O)N is an L-lysine derivative having a psicosyl group attached to the side-chain amino group. It is a L-lysine derivative and a non-proteinogenic L-alpha-amino acid. It derives from a D-psicose. It is a conjugate base of a psicosyllysine(1+).
The molecule OC(=O)C(=O)CSc1ccc(Br)cc1 OC(=O)C(=O)CSc1ccc(Br)cc1 is A 2-oxo monocarboxylic acid comprising pyruvic acid having a 4-bromophenylsulfanyl group attached at the 3-position. Its functional parent is bromobenzene . Its functional parent is pyruvic acid . It is a conjugate acid of (4-bromophenylsulfanyl)pyruvate .  It is also related to or classified as 2-oxo monocarboxylic acid  . It is also related to or classified as organobromine compound  . It is also related to or classified as aryl sulfide .
The molecule O1C(C(O)C(O)C(O)C1OC=2C3=C(OC(CC3=O)C4=CC(O)=C(OC)C=C4)C=C(O)C2)CO O1C(C(O)C(O)C(O)C1OC=2C3=C(OC(CC3=O)C4=CC(O)=C(OC)C=C4)C=C(O)C2)CO is Hesperetin 5-O-glucoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule CC1=CC=CC=C1C(C2=CC=CC=C2)OCCN(C)C is a tertiary amino compound which is the phenyl-o-tolylmethyl ether of 2-(dimethylamino)ethanol. It has a role as a NMDA receptor antagonist, a H1-receptor antagonist, an antiparkinson drug, a parasympatholytic, a muscle relaxant, a muscarinic antagonist and an antidyskinesia agent. It is a tertiary amino compound and an ether.
The molecule O=C1C2=C(O)C=3C(=CC(O[C@@H]4O[C@H]([C@H](O)[C@@H](C4)O)C)=C(C3C)C(=O)OC)C=C2C(=O)[C@@]5([C@@]1(O)C(=O)C=C(OC)[C@H]5O)O O=C1C2=C(O)C=3C(=CC(O[C@@H]4O[C@H]([C@H](O)[C@@H](C4)O)C)=C(C3C)C(=O)OC)C=C2C(=O)[C@@]5([C@@]1(O)C(=O)C=C(OC)[C@H]5O)O is 8-demethyl-8-L-digitoxosyltetracenomycin C. It is also related to or classified as quinone  . It is also related to or classified as tetracenes .
The molecule NC(CCO)C([O-])=O NC(CCO)C([O-])=O is an alpha-amino-acid anion resulting from the removal of a proton from the carboxy group of homoserine. It is also related to or classified as alpha-amino-acid anion .
The molecule C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=CN=C(N=C43)N)O)OP(=O)(O1)O is a 3',5'-cyclic purine nucleotide having 2-aminopurine as the nucleobase. It is a 3',5'-cyclic purine nucleotide, a nucleoside 3',5'-cyclic phosphate and a primary amino compound. It derives from a 2-aminopurine.
The molecule CC(C)CCCC(C)C\C=C\C(C)=C\C(=O)OCC#C CC(C)CCCC(C)C\C=C\C(C)=C\C(=O)OCC#C is kinoprene. It has the role of juvenile hormone mimic .  It is also related to or classified as terminal acetylenic compound  . It is also related to or classified as farnesane sesquiterpenoid .
The molecule [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(CCCCCC(C)C)=O)=O)=O)O)C)(=O)O)(=O)O)[C@H]([C@H]1O)OP(O)(O)=O [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(CCCCCC(C)C)=O)=O)=O)O)C)(=O)O)(=O)O)[C@H]([C@H]1O)OP(O)(O)=O is A medium-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 7-methyloctanoic acid. Its functional parent is 7-methyloctanoic acid . It is a conjugate acid of 7-methyloctanoyl-CoA(4-) . It is also related to or classified as medium-chain fatty acyl-CoA .
The molecule [H]C(CC(=O)c1ccccc1)=CC(=O)C([O-])=O [H]C(CC(=O)c1ccccc1)=CC(=O)C([O-])=O is A dioxo monocarboxylic acid anion that is the conjugate base of 2,6-dioxo-6-phenylhexa-3-enoic acid, arising from deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as dioxo monocarboxylic acid anion .
The molecule C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@@H](C)CO)C)CN(C)CC4=CC=NC=C4 C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@@H](C)CO)C)CN(C)CC4=CC=NC=C4 is N-[(3S,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule S([O-])(=O)(=O)CCNC(=O)CC[C@H]([C@@]1([C@@]2([C@]([C@]3([C@@]([C@@]4([C@](CC3)(C[C@H](O)CC4)[H])C)(CC2)[H])[H])(CC1)[H])C)[H])C.[Na+] S([O-])(=O)(=O)CCNC(=O)CC[C@H]([C@@]1([C@@]2([C@]([C@]3([C@@]([C@@]4([C@](CC3)(C[C@H](O)CC4)[H])C)(CC2)[H])[H])(CC1)[H])C)[H])C.[Na+] is Sodium taurolithocholate. Its functional parent is taurolithocholic acid . It is also related to or classified as bile acid .
The molecule COC(=O)Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O COC(=O)Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O is A derivative of uridine, bearing an additional methoxycarbonylmethyl substituent at position 5 on the uracil ring. It is also related to or classified as methyl ester  . It is also related to or classified as uridines .
The molecule C([C@H](CS)O)(=O)[O-] C([C@H](CS)O)(=O)[O-] is A (2R)-2-hydroxy monocarboxylic acid anion that is the conjugate base of 3-mercaptolactic acid, obtained by the deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as (2R)-2-hydroxy monocarboxylic acid anion  .
The molecule CC1(CC(CC(C1)(C)CN=C=O)N=C=O)C is a diisocyanate in which the two isocyanate groups are linked by an isophorone substituent. It derives from an isophorone.
The molecule CCCCCCCC/C=C\CCCCCCCC(OCC[N+](C)(C)C)=O CCCCCCCC/C=C\CCCCCCCC(OCC[N+](C)(C)C)=O is an acylcholine obtained by formal condensation of the carboxy group of oleic acid with the hydroxy group of choline. Its functional parent is oleic acid . It is also related to or classified as acylcholine  .
The molecule Oc1cc2C(=O)c3ccccc3C(=O)c2c(O)c1O Oc1cc2C(=O)c3ccccc3C(=O)c2c(O)c1O is A trihydroxyanthraquinone that is anthracene-9,10-dione substituted by hydroxy groups at positions 1, 2 and 3. It has the role of plant metabolite . It is also related to or classified as trihydroxyanthraquinone .
The molecule CC1(CC(C(=O)O1)CCCBr)C is a butan-4-olide having a 3-bromopropyl group at the 3-position and two methyl substituents at the 5-position. It is an organobromine compound and a butan-4-olide.
The molecule C([C@H]([C@H]([C@H]([C@H](C=O)O)O)O)O)OP(=O)(O)O is an allose phosphate consisting of D-allose having a monophosphate group at the 6-position. It has a role as an Escherichia coli metabolite. It derives from a D-allose. It is a conjugate acid of a D-allose 6-phosphate(2-).
The molecule C1=CC=C2C(=C1)C(=CN2)CC(C(=O)[O-])[NH3+] is an amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of tryptophan; major species at pH 7.3. It is a tautomer of a tryptophan.
The molecule C1=COC(=C1)CNC(=O)C2=NOC(=C2)C3=CC=C(C=C3)Cl C1=COC(=C1)CNC(=O)C2=NOC(=C2)C3=CC=C(C=C3)Cl is 5-(4-chlorophenyl)-N-(2-furanylmethyl)-3-isoxazolecarboxamide. It is also related to or classified as heteroarene  . It is also related to or classified as aromatic amide .
The molecule C([C@H]([C@H]([C@H](C=O)O)O)O)OP(=O)([O-])[O-] is an organophosphate oxoanion arising from deprotonation of the phosphate OH groups of aldehydo-D-ribose 5-phosphate; major species at pH 7.3. It has a role as a fundamental metabolite. It is a conjugate base of an aldehydo-D-ribose 5-phosphate.
The molecule C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)S(=O)(=O)C C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)S(=O)(=O)C is N-[[(3R,9R,10R)-16-(dimethylamino)-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]-N-methylmethanesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C[C@H](NC(=O)[C@@H]1CC(C(CSC(C)=O)N1O)c1ccc2OCOc2c1)C(=O)OCc1ccccc1 C[C@H](NC(=O)[C@@H]1CC(C(CSC(C)=O)N1O)c1ccc2OCOc2c1)C(=O)OCc1ccccc1 is (S)-N-[3-(3,4-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl]-(S)-alanine benzyl ester. It is also related to or classified as peptide  . It is also related to or classified as benzyl ester .
The molecule CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)C(=O)[O-])O)[NH3+] is a nucleotide-sugar oxoanion obtained via deprotonation of the diphosphate and carboxy OH groups and protonation of the primary amino group of UDP-2-acetamido-3-amino-2,3-dideoxy-alpha-D-glucuronic acid; major species at pH 7.3. It is a nucleotide-sugar oxoanion and a carbohydrate acid derivative anion. It is a conjugate base of an UDP-2-acetamido-3-amino-2,3-dideoxy-alpha-D-glucuronic acid.
The molecule OC=1C=CC(=CC1OC)[C@H]2OC3=CC(=CC(=C3C(C2)=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O[C@@H]5OC[C@@]([C@@]5([H])O)(CO[C@@H]6OC[C@@]([C@@]6([H])O)(CO)O)O OC=1C=CC(=CC1OC)[C@H]2OC3=CC(=CC(=C3C(C2)=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O[C@@H]5OC[C@@]([C@@]5([H])O)(CO[C@@H]6OC[C@@]([C@@]6([H])O)(CO)O)O is A viscumneoside that is viscumneoside III in which the primary hydroxy group of the beta-D-apiofuranosyl moiety has itself been converted to the corresponding beta-D-apiofuranoside derivative. Found in Viscum coloratum, an evergreen hemiparasitic plant whose stems and leaves are used in traditional Chinese medicine for the treatment of rheumatism. It has the role of plant metabolite . Its functional parent is viscumneoside III . Its functional parent is beta-D-apiose . Its functional parent is homoeriodictyol .  It is also related to or classified as beta-D-glucoside  . It is also related to or classified as viscumneoside , flavanone glycoside .
The molecule [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=CC2=CC(=O)CC[C@]12C [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=CC2=CC(=O)CC[C@]12C is A 17beta-hydroxy steroid that is testosterone that contains an additional double bond between positions 6 and 7. Its functional parent is testosterone . It is also related to or classified as 17beta-hydroxy steroid  . It is also related to or classified as 3-oxo-Delta(4) steroid  . It is also related to or classified as enone  .
The molecule [Ca++].CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC([O-])=O.CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC([O-])=O [Ca++].CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC([O-])=O.CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC([O-])=O is an organic calcium salt composed of calcium cations and atorvastatin anions in a 1:2 ratio. It is also related to or classified as organic calcium salt .
The molecule CC1=C(SC2=C1C(=N[C@@H](C3=NN=C(N32)C)CC(=O)OC)C4=CC=C(C=C4)Cl)C is a member of the class of thienotriazolodiazepines that is the methyl ester of [(6R)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetic acid. It is a member of monochlorobenzenes, a thienotriazolodiazepine and a methyl ester. It is an enantiomer of a MS-417.
The molecule CC(=O)NCCCC(=O)[O-] is a monocarboxylic acid anion that is the conjugate base of 4-acetamidobutanoic acid, arising from 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 4-acetamidobutanoic acid.
The molecule CC(=O)CC(=O)C(=O)[O-] is a 2-oxo monocarboxylic acid anion. It derives from a valerate. It is a conjugate base of an acetylpyruvic acid.
The molecule O=C1O[C@@H](CC(=O)OC[C@@H](O)CC(=O)O[C@@H](CC=2C(C(O[C@@H](CC(O[C@@H](CC=3C1=C(O)C=C(OC)C3)C)=O)C)=O)=C(O)C=C(O)C2)C)C O=C1O[C@@H](CC(=O)OC[C@@H](O)CC(=O)O[C@@H](CC=2C(C(O[C@@H](CC(O[C@@H](CC=3C1=C(O)C=C(OC)C3)C)=O)C)=O)=C(O)C=C(O)C2)C)C is Calcaride C. Its functional parent is hexacarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC1=C(C=CC(=C1)C(=O)O)[O-])/C)/C)/C)/C)/C)C is a 4-hydroxy-3-polyprenylbenzoate in which the polyprenyl chain contains 6 prenyl units; major species at pH 7.3. It is a conjugate base of a 3-hexaprenyl-4-hydroxybenzoic acid.
The molecule Nc1nc(O)c(N)c(N[C@@H]2O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]2O)n1 Nc1nc(O)c(N)c(N[C@@H]2O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]2O)n1 is dianion of 2,5-diamino-4-hydroxy-6-(5-phosphoribosylamino)pyrimidine. It has the role of Saccharomyces cerevisiae metabolite . It is also related to or classified as organophosphate oxoanion .
The molecule C(=O)([C@@H](NC(=O)CC[C@@H](C(=O)O)N)CC=1C=CC=CC1)O C(=O)([C@@H](NC(=O)CC[C@@H](C(=O)O)N)CC=1C=CC=CC1)O is A dipeptide obtained by formal condensation of the side-chain carboxy group of L-glutamic acid with the amino group of L-phenylalanine. It has the role of human urinary metabolite . It is a conjugate acid of gamma-Glu-Phe(1-) . It is also related to or classified as dipeptide  .
The molecule CO[C@H]1CN(CCCOc2ccc(F)cc2)CC[C@H]1NC(=O)c1cc(Cl)c(N)cc1OC CO[C@H]1CN(CCCOc2ccc(F)cc2)CC[C@H]1NC(=O)c1cc(Cl)c(N)cc1OC 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 the role of serotonergic agonist . It has the role of anti-ulcer drug . It has the role of gastrointestinal drug .    It is also related to or classified as organofluorine compound  . It is also related to or classified as benzamides , piperidines , aromatic ether , substituted aniline , monochlorobenzenes .
The molecule C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC=C(C=C5)O)O)O)O)O)O)O)O is a disaccharide derivative that is (S)-naringenin substituted by a 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage. It has a role as an anti-inflammatory agent, an antioxidant and a metabolite. It is a disaccharide derivative, a dihydroxyflavanone, a member of 4'-hydroxyflavanones, a (2S)-flavan-4-one and a rutinoside. It derives from a (S)-naringenin.
The molecule O(P(=O)(OCC[N+](C)(C)C)[O-])C[C@H](O)COC(CCCCCCCCCCCCCC)=O O(P(=O)(OCC[N+](C)(C)C)[O-])C[C@H](O)COC(CCCCCCCCCCCCCC)=O is A 1-O-acyl-sn-glycero-3-phosphocholine in which the acyl group is specified as pentadecanoyl. It has the role of human xenobiotic metabolite . It has the role of rat metabolite . Its functional parent is pentadecanoic acid . It is also related to or classified as 1-O-acyl-sn-glycero-3-phosphocholine  . It is also related to or classified as lysophosphatidylcholine 15:0  .
The molecule CC(\C=C\C=C(C)\C=C\C1C(C)=CCCC1(C)C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1C(C)=CCCC1(C)C CC(\C=C\C=C(C)\C=C\C1C(C)=CCCC1(C)C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1C(C)=CCCC1(C)C is epsilon-carotene. It is also related to or classified as carotenoid  epsilon-end derivative  . It is also related to or classified as cyclic carotene .
The molecule C1=CC=C2C(=C1)C=C3C=CC=CC3=N2 is a polycyclic heteroarene that is anthracene in which one of the central CH groups is replaced by a nitrogen atom. It has a role as a genotoxin. It is a mancude organic heterotricyclic parent, a polycyclic heteroarene and a member of acridines.
The molecule C1CC[NH+](CC1)C2(CC[NH+](CC2)CCCC(=O)C3=CC=C(C=C3)F)C(=O)N is an ammonium ion resulting from the protonation of both of the tertiary amino groups of pipamperone. It is a conjugate acid of a pipamperone.
The molecule C1=CC=C2C(=C1)C(=CN2)CC(=O)N[C@@H](CC(=O)O)C(=O)O is an N-acyl-L-aspartic acid in which the acyl group is specified as indole-3-acetyl. It has a role as a plant metabolite. It is an indole-L-aspartic acid conjugate, an indoleacetic acid amide conjugate and a N-acyl-L-aspartic acid. It derives from an indole-3-acetic acid. It is a conjugate acid of a N-(indole-3-acetyl)-L-aspartate(2-).
The molecule COC(=O)Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=S)[nH]c1=O COC(=O)Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=S)[nH]c1=O is A thiouridine that is 2-thiouridine bearing an additional methoxycarbonylmethyl substituent at position 5 on the thiouracil ring. It is also related to or classified as methyl ester  . It is also related to or classified as thiouridine .
The molecule CC1=CC(=O)NC(=O)N1 is a pyrimidone that is uracil with a methyl group at position 6. It has a role as a metabolite. It derives from a uracil.
The molecule [NH3+]CCCC[C@@H]([NH3+])C(O)=O [NH3+]CCCC[C@@H]([NH3+])C(O)=O is the D-enantiomer of lysinium(2+). It has the role of fungal metabolite . It has the role of bacterial metabolite . It is a conjugate acid of D-lysinium(1+) . It is also related to or classified as lysinium(2+)  .
The molecule CC(C)=CCC\C(C)=C\CC\C(C)=C\COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O CC(C)=CCC\C(C)=C\CC\C(C)=C\COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O is the organophosphate oxoanion that is the tetra-anion arising from deprotonation of all four free triphosphate OH groups of farnesyl triphosphate. It is also related to or classified as organophosphate oxoanion .