anonymous041/ChEBI-Augmented huggingface dataset:
The molecule S(CCNC(CC[C@@H](C(O)=O)N)=O)(O)(=O)=O S(CCNC(CC[C@@H](C(O)=O)N)=O)(O)(=O)=O is A dipeptide resulting from the formal condensation of the amino group of taurine with the gamma-carboxy group of L-glutamic acid. It was initially found in the parathyroid in 1980 and later in the brain of mammals. It has the role of hormone . It has the role of anxiolytic drug . It has the role of anticonvulsant . It has the role of mammalian metabolite . It has the role of mouse metabolite . It has the role of human metabolite . Its functional parent is taurine .  It is also related to or classified as sulfonic acid  . It is also related to or classified as dipeptide  . It is also related to or classified as L-glutamine derivative .
The molecule C[C@H]([C@@H]1CC[C@]2([C@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)C)[C@H]5[C@H](O5)[C@H]6C(O6)(C)C is a tirucallane terpenoid isolated from Dysoxylum lenticellatum. It has a role as a plant metabolite. It is an epoxide, a cyclic terpene ketone and a tirucallane triterpenoid.
The molecule CCC1=C(C(=O)C2=CC=C(O)C=C2)C2=C(O1)C=CC(=C2)C1=CN(C)N=C1 CCC1=C(C(=O)C2=CC=C(O)C=C2)C2=C(O1)C=CC(=C2)C1=CN(C)N=C1 is A 1-benzofuran that is substituted by ethyl, 4-hydroxybenzoyl, and 1-methyl-1H-pyrazol-4-yl groups at positions 2, 3, and 5, respectively. It is an EYA1 antagonist that exhibits antineoplastic activity. It has the role of antineoplastic agent .  It is also related to or classified as phenols  . It is also related to or classified as pyrazoles , 1-benzofurans , tertiary amino compound , aromatic ketone .
The molecule O=C1C2=C(O)C(C3=C4O[C@@](C(=O)OC)([C@H]5OC(=O)C[C@H]5C)CC(C4=C(O)C=C3)=O)=CC=C2O[C@@](C1)(C(=O)OC)[C@H]6OC(=O)C[C@H]6C O=C1C2=C(O)C(C3=C4O[C@@](C(=O)OC)([C@H]5OC(=O)C[C@H]5C)CC(C4=C(O)C=C3)=O)=CC=C2O[C@@](C1)(C(=O)OC)[C@H]6OC(=O)C[C@H]6C is Paecilin E. Its functional parent is tetracarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule O1C[C@@H](CC=2C1=CC(O)=C(OC)C2)C3=CC=C(O)C=C3 O1C[C@@H](CC=2C1=CC(O)=C(OC)C2)C3=CC=C(O)C=C3 is 6-O-Methylequol. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)([O-])[O-])[C@H](C(=O)NCCC(=O)NCCSC(=O)C[C@@H](CCCCCCCCCCCCC(=O)[O-])O)O is an acyl-CoA oxoanion that is the pentaanion of (3R)-hydroxyhexadecanedioyl-CoA, arising from deprotonation of the phosphate, diphosphate and carboxylic acid functions; major species at pH 7.3. It is a conjugate base of a (3R)-hydroxyhexadecanedioyl-CoA.
The molecule O=C1NC(=O)C(N1)(c1ccccc1)c1ccccc1 O=C1NC(=O)C(N1)(c1ccccc1)c1ccccc1 is A imidazolidine-2,4-dione that consists of hydantoin bearing two phenyl substituents at position 5. It has the role of anticonvulsant . It has the role of sodium channel blocker . It has the role of teratogenic agent . It has the role of drug allergen . Its functional parent is hydantoin . It is also related to or classified as imidazolidine-2,4-dione .
The molecule OC(=O)c1cc(cc(c1)C([O-])=O)C(O)=O OC(=O)c1cc(cc(c1)C([O-])=O)C(O)=O is benzene-1,3,5-tricarboxylate(1-). It is a conjugate acid of benzene-1,3,5-tricarboxylate(2-) . It is also related to or classified as tricarboxylic acid monoanion .
The molecule O[C@H](CF)C(O)=O O[C@H](CF)C(O)=O is A propanoic acid derivative having an (R)-hydroxy substituent at the 2-position and a fluoro substituent at the 3-position. Its functional parent is propionic acid . It is a conjugate acid of (S)-3-fluorolactate . It is also related to or classified as (2S)-2-hydroxy monocarboxylic acid  . It is also related to or classified as organofluorine compound  .
The molecule C(OC)(C1=C(C=C(C=C1)C)C2=NC(C(N2)=O)(C(C)C)C)=O C(OC)(C1=C(C=C(C=C1)C)C2=NC(C(N2)=O)(C(C)C)C)=O is A methyl ester resulting from the formal condensation of the carboxy group of 2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)-4-methylbenzoic acid with methanol. Its functional parent is 2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)-4-methylbenzoic acid .  It is also related to or classified as methyl ester  . It is also related to or classified as imidazolone .
The molecule OC(=O)c1cc(ccc1O)\N=N\c1ccc(cc1)S(=O)(=O)Nc1ccccn1 OC(=O)c1cc(ccc1O)\N=N\c1ccc(cc1)S(=O)(=O)Nc1ccccn1 is an azobenzene consisting of diphenyldiazene having a carboxy substituent at the 4-position, a hydroxy substituent at the 3-position and a 2-pyridylaminosulphonyl substituent at the 4'-position. It has the role of ferroptosis inducer . It has the role of antiinfective agent . It has the role of non-steroidal anti-inflammatory drug . It has the role of gastrointestinal drug . It has the role of EC 2.5.1.18 (glutathione transferase) inhibitor . It has the role of drug allergen . Its functional parent is sulfanilamide . It is also related to or classified as azobenzenes  .  It is also related to or classified as sulfonamide  . It is also related to or classified as pyridines .
The molecule Cc1cn([C@H]2C[C@H](OP([O-])([O-])=O)[C@@H](CO)O2)c(=O)[nH]c1=O Cc1cn([C@H]2C[C@H](OP([O-])([O-])=O)[C@@H](CO)O2)c(=O)[nH]c1=O is A organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of thymidine 3'-monophosphate. Major structure at pH 7.3 (according to Marvin v 6.2.0.). It is also related to or classified as 2'-deoxynucleoside 3'-monophosphate(2-)  .
The molecule CN1CC(=O)NC1=N CN1CC(=O)NC1=N is A lactam obtained by formal cyclocondensation of creatine. It is a metabolite of creatine. It has the role of diagnostic agent . It has the role of human metabolite . Its functional parent is creatine . It is also related to or classified as lactam  . It is also related to or classified as imidazolidinone .
The molecule CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)([O-])[O-])[C@H](C(=O)NCCC(=O)NCCSC(=O)/C=C/C4=CC=CC=C4)O is an acyl-CoA(4-) that is the tetraanion of cinnamoyl-CoA, arising from deprotonation of phosphate and diphosphate functions. It is a conjugate base of a cinnamoyl-CoA.
The molecule CC(=O)N(CCC[C@@H](C(=O)N[C@@H](CCCN(C(=O)C)O)C(=O)N[C@@H](CCCN(C(=O)C)O)C(=O)N[C@@H](CO)C(=O)N[C@H]([C@@H]([C@@H]1[C@@H]([C@H]([C@@H](S1)N2C=CC(=O)N(C2=O)C)O)O)O)C(=O)O)N)O.[Fe] is an iron(III) hydroxamate in which desferrialbomycin delta1(3-) is complexed to iron(III). It has a role as a bacterial metabolite, an antibacterial agent and an antimicrobial agent. It contains a desferrialbomycin delta1(3-).
The molecule [C@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H](C[C@@H]([C@@H]([C@@H](CCCCCCCCCCCCCCCCC)O)O)NC(CCCCCCCCCCCCCCCCCCCCCCCCCC)=O)F [C@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H](C[C@@H]([C@@H]([C@@H](CCCCCCCCCCCCCCCCC)O)O)NC(CCCCCCCCCCCCCCCCCCCCCCCCCC)=O)F is A neoglycosphingolipid that is fluorinated alpha-C-GalCer, a synthesized C-clycosyl analogue of myelin-derived galactosylceramide (Mye-GalCer). Its functional parent is alpha-C-GalCer .  It is also related to or classified as organofluorine compound  . It is also related to or classified as C-glycosyl compound , neoglycosphingolipid .
The molecule C[C@@H](C(=O)N[C@@H](CS)C(=O)NCC(=O)O)N is a tripeptide composed of L-alanine, L-cysteine, and glycine joined in sequence by peptide linkages. It has a role as a metabolite. It derives from a L-alanine, a L-cysteine and a glycine.
The molecule CC1=C(SSC2=C(C)OC=C2)C=CO1 CC1=C(SSC2=C(C)OC=C2)C=CO1 is A member of the class of furans that is disulfane in which both hydrogen's are substituted by 2-methylfuran-3-yl groups. It is a flavouring agent found in meat. It has the role of flavouring agent . It has the role of mammalian metabolite . It has the role of plant metabolite . It has the role of Maillard reaction product . It has the role of human metabolite .  It is also related to or classified as organic disulfide  . It is also related to or classified as furans .
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)C3=CC=C(C=C3)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)C3=CC=C(C=C3)C is N-[[(3S,9R,10S)-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,4-dimethylbenzenesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule O=C1O[C@H]2C=3C(O[C@@]4([C@H]2C[C@@H](C)O4)C[C@@H]5OC(=O)CC5)=CC(=C6C3C1=C(O)C=C6C)OC O=C1O[C@H]2C=3C(O[C@@]4([C@H]2C[C@@H](C)O4)C[C@@H]5OC(=O)CC5)=CC(=C6C3C1=C(O)C=C6C)OC is Neonectriolide B. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule [H]C(CCCCCCCCCCCCC)=C([H])[C@@H](O)[C@@H](N)CO [H]C(CCCCCCCCCCCCC)=C([H])[C@@H](O)[C@@H](N)CO is A sphingenine in which the C=C double bond is located at the 4-position.  It is also related to or classified as 2-aminooctadec-4-ene-1,3-diol  . It is also related to or classified as sphingenine .
The molecule CN/C(=[N+](/CCC[C@@H](C(=O)[O-])[NH3+])\\O)/N is an L-arginine derivative in which the omega-nitrogen atoms carries a hydroxy group and one of the omega-nitrogen atoms carries a methyl group; major species at pH 7.3. It is a L-arginine derivative and a non-proteinogenic L-alpha-amino acid. It derives from a L-argininium(1+).
The molecule O1[C@@H](OC2=C(O)C3=C(OC(=CC3=O)C4=CC(O)=C(O)C=C4)C=C2O)C(O)[C@@H](O)[C@H](O)C1 O1[C@@H](OC2=C(O)C3=C(OC(=CC3=O)C4=CC(O)=C(O)C=C4)C=C2O)C(O)[C@@H](O)[C@H](O)C1 is 6-Hydroxyluteolin 6-xyloside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule C1[C@H]([C@@H]([C@@H](C[C@]1(C(=O)[O-])OC(=O)/C=C/C2=CC(=C(C=C2)O)O)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)O)O is a quinate that is the conjugate base of 1,3-dicaffeoylquinic acid. It has a role as a plant metabolite. It is a conjugate base of a 1,3-dicaffeoylquinic acid.
The molecule NC1=NC(=O)N(C=C1C#C)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O NC1=NC(=O)N(C=C1C#C)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O is A nucleoside analogue that is cytidine substituted by an ethynyl group at position 5. Its functional parent is cytidine . It is also related to or classified as nucleoside analogue .
The molecule [H][C@@]12COC3=C(C=C(OC)C(OC)=C3)[C@]1([H])C(=O)C1=C(O2)C2=C(OC(C)(C)C=C2)C=C1 [H][C@@]12COC3=C(C=C(OC)C(OC)=C3)[C@]1([H])C(=O)C1=C(O2)C2=C(OC(C)(C)C=C2)C=C1 is A rotenone that is 13,13a-dihydro-3H-chromeno[3,4-b]pyrano[2,3-h]chromen-7(7aH)-one substituted by methoxy groups at positions 9 and 10, and by two methyl groups at position 3 (the 7aS,13aS-stereoisomer). It exists in abundant quantities in the bark, roots, and leaves of the Leguminosae family of plants and reported to exert anti-tumour effects in various cancers. It has the role of antiviral agent . It has the role of antineoplastic agent . It has the role of mitochondrial NADH:ubiquinone reductase inhibitor . It has the role of angiogenesis inhibitor . It has the role of EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor . It has the role of anti-inflammatory agent . It has the role of apoptosis inducer . It has the role of plant metabolite .    It is also related to or classified as rotenones  . It is also related to or classified as aromatic ether , organic heteropentacyclic compound , diether .
The molecule [C@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)CC[C@@H]([C@@H]([C@@H](CCCCCCCCCCCCCCCCC)O)O)NC(CCCCCCCCCCCCCCCCCCCCCCCCCC)=O [C@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)CC[C@@H]([C@@H]([C@@H](CCCCCCCCCCCCCCCCC)O)O)NC(CCCCCCCCCCCCCCCCCCCCCCCCCC)=O is A neoglycosphingolipid that is a synthesized C-glycosyl analogue of myelin-derived galactosylceramide (Mye-GalCer). It is also related to or classified as C-glycosyl compound , neoglycosphingolipid .
The molecule [Zn++] [Zn++] is zinc(2+). It has the role of cofactor . It has the role of human metabolite . It is also related to or classified as monoatomic dication  . It is also related to or classified as divalent metal cation , zinc cation .
The molecule Oc1cccc2c(O)cc(nc12)C([O-])=O Oc1cccc2c(O)cc(nc12)C([O-])=O is A quinolinemonocarboxylate that is the conjugate base of xanthurenic acid, obtained by deprotonation of the carboxy group. It has the role of animal metabolite . It is also related to or classified as quinolinemonocarboxylate .
The molecule O1CC(C(=O)C=2C1=CC(O)=C(OC)C2)C3=CC=C(O)C=C3 O1CC(C(=O)C=2C1=CC(O)=C(OC)C2)C3=CC=C(O)C=C3 is Dihydroglycitein. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule CC(=O)NC1=CC=C(C=C1)CC(=O)O CC(=O)NC1=CC=C(C=C1)CC(=O)O is Actarit. It is also related to or classified as anilide  . It is also related to or classified as acetamides .
The molecule CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)CO CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)CO is A sphing-4-enine in which the double bond is trans. It has the role of mouse metabolite . It has the role of human metabolite . It is also related to or classified as sphing-4-enine  .
The molecule CC(C)(C)C#C/C=C/C[NH+](C)CC1=CC=CC2=CC=CC=C21 is an organic cation that is the conjugate acid of terbinafine, obtained by protonation of the amino group; major species at pH 7.3. It is an organic cation and an ammonium ion derivative. It is a conjugate acid of a terbinafine.
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)O[C@H](CO)C(=O)[O-])O)O)O)O)O)O)O is a carbohydrate acid derivative anion that is the conjugate base of 2-O-[alpha-D-glucosyl-(1->6)-alpha-D-glucosyl]-D-glyceric acid arising from deprotonation of the carboxy group; major species at pH 7.3. It is a hydroxy monocarboxylic acid anion and a carbohydrate acid derivative anion. It is a conjugate base of a 2-O-[alpha-D-glucosyl-(1->6)-alpha-D-glucosyl]-D-glyceric acid.
The molecule CC1=CC2=C(C(=C1)O)C(C3=C(C=C(C(C=4C(=CC(=C5C4C(C=6C=C(C)C=C(C6C5=O)O)=O)O)O)=C3C2=O)O)O)=O CC1=CC2=C(C(=C1)O)C(C3=C(C=C(C(C=4C(=CC(=C5C4C(C=6C=C(C)C=C(C6C5=O)O)=O)O)O)=C3C2=O)O)O)=O is skyrin. Its functional parent is emodin . It is also related to or classified as trihydroxyanthraquinone , biaryl .
The molecule [Br-].O[C@@H]1[C@@]2([C@]([C@]3([C@@]([C@@]4([C@@](CC3)(C[C@H](O)[C@@H](N5CCOCC5)C4)[H])C)(CC2)[H])[H])(C[C@@]1([N+]6(CCCC6)CC=C)[H])[H])C [Br-].O[C@@H]1[C@@]2([C@]([C@]3([C@@]([C@@]4([C@@](CC3)(C[C@H](O)[C@@H](N5CCOCC5)C4)[H])C)(CC2)[H])[H])(C[C@@]1([N+]6(CCCC6)CC=C)[H])[H])C is 17-Desacetyl-rocuronium. It has the role of androgen . It is also related to or classified as 3-hydroxy steroid .
The molecule [NH3+]CCC[NH2+]CCCC[NH2+]CCC[NH3+] [NH3+]CCC[NH2+]CCCC[NH2+]CCC[NH3+] is an ammonium ion obtained by the protonation of all four amino groups of spermine. It has the role of human metabolite . It has the role of fundamental metabolite . It is a conjugate acid of spermine . It is also related to or classified as ammonium ion derivative .
The molecule C(O)(C1=C(C=C(C=C1)C)C2=NC(C(N2)=O)(C(C)C)C)=O C(O)(C1=C(C=C(C=C1)C)C2=NC(C(N2)=O)(C(C)C)C)=O is A racemate comprising equimolar amounts of the R- and S- enantiomers of 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluic acid. It is the minor component of the herbicide imazamethabenz. It is also related to or classified as racemate .
The molecule O=C1C=C2[C@@]3(O)[C@@]([C@]4(C=5NC=6C=C7C8=CC(OC(C8CC7=CC6C5C[C@@H]4CC3)(C)C)(C)C)C)(CC[C@@]29O[C@@H]1C(O9)(C)C)C O=C1C=C2[C@@]3(O)[C@@]([C@]4(C=5NC=6C=C7C8=CC(OC(C8CC7=CC6C5C[C@@H]4CC3)(C)C)(C)C)C)(CC[C@@]29O[C@@H]1C(O9)(C)C)C is Shearinine A. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule Oc1cc(O)cc(O)c1 Oc1cc(O)cc(O)c1 is A benzenetriol with hydroxy groups at position 1, 3 and 5. It has the role of algal metabolite . It is also related to or classified as phenolic donor  . It is also related to or classified as benzenetriol .
The molecule CN(CC(O)=O)C(N)=N CN(CC(O)=O)C(N)=N is A glycine derivative having methyl and amidino groups attached to the nitrogen. It has the role of geroprotector . It has the role of nutraceutical . It has the role of neuroprotective agent . It has the role of mouse metabolite . It has the role of human metabolite . It is a conjugate acid of creatinate . It is also related to or classified as glycine derivative , guanidines .
The molecule C(COP(=O)(O)OC[C@@H](C(=O)O)N)N=C(N)NP(=O)(O)O is a phosphoramide consisting of L-lombricine having a phospho group attached to the guanidine. It derives from a L-lombricine. It is a conjugate acid of a N-phosphonato-L-lombricine(2-). It is an enantiomer of a N-phospho-D-lombricine.
The molecule O=CC(CCCCCC)C O=CC(CCCCCC)C is 2-Methyloctanal. It is also related to or classified as saturated fatty aldehyde  . It is also related to or classified as 2-methyl-branched fatty aldehyde  .
The molecule S(OC[C@H]1OC(OC[C@H]2O[C@H](O)[C@H](NC(=O)C)[C@@H](OC3O[C@@H]([C@H](O)[C@H](O)[C@H]3OC4O[C@H]([C@@H](O)[C@@H](O)[C@@H]4O)C)CO)[C@H]2O)[C@H](NC(=O)C)[C@@H](O)[C@@H]1OC5O[C@@H]([C@H](O)[C@H](O)[C@H]5O)CO)(O)(=O)=O S(OC[C@H]1OC(OC[C@H]2O[C@H](O)[C@H](NC(=O)C)[C@@H](OC3O[C@@H]([C@H](O)[C@H](O)[C@H]3OC4O[C@H]([C@@H](O)[C@@H](O)[C@@H]4O)C)CO)[C@H]2O)[C@H](NC(=O)C)[C@@H](O)[C@@H]1OC5O[C@@H]([C@H](O)[C@H](O)[C@H]5O)CO)(O)(=O)=O is [(2R,3S,4R,5R)-5-Acetamido-6-[[(2R,3R,4R,5R,6S)-5-acetamido-4-[(3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,6-dihydroxyoxan-2-yl]methoxy]-4-hydroxy-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl hydrogen sulfate. It is also related to or classified as carbohydrates and carbohydrate derivatives .
The molecule CC12CC3CC(C1)(CC(C3)(C2)N)C.Cl is a hydrochloride obtained by reaction of memantine with one equivalent of hydrochloric acid. A low to moderate affinity uncompetitive (open-channel); NMDA receptor antagonist which binds preferentially to the NMDA receptor-operated cation channels. It has a role as an antidepressant, an antiparkinson drug, a dopaminergic agent, a neuroprotective agent and a NMDA receptor antagonist. It contains a memantinium(1+).
The molecule O=c1[nH]cnc2nc[nH]c12 O=c1[nH]cnc2nc[nH]c12 is A purine nucleobase that consists of purine bearing an oxo substituent at position 6. It has the role of fundamental metabolite . Its functional parent is adenine .  It is also related to or classified as purine nucleobase  . It is also related to or classified as oxopurine , nucleobase analogue .
The molecule CCOC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)NC3=C(C=CC(=C3)Cl)OC)OC1=O CCOC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)NC3=C(C=CC(=C3)Cl)OC)OC1=O is 2-[6-[(5-chloro-2-methoxyphenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetic acid ethyl ester. It is also related to or classified as alpha-amino acid ester  .
The molecule C(/C=C\CCCCC)/C=C\C=C\C=C\[C@H]([C@@H](O)CCCC(=O)OC)SC[C@H](N)C(=O)O C(/C=C\CCCCC)/C=C\C=C\C=C\[C@H]([C@@H](O)CCCC(=O)OC)SC[C@H](N)C(=O)O is the methyl ester of leukotriene E4, the esterified acid group being the one forming position 1 of the icosatetraenyl chain. Leukotriene E4 methyl ester is a more lipid-soluble form of leukotriene E4. Its functional parent is leukotriene E4 . It is also related to or classified as leukotriene  . It is also related to or classified as methyl ester  .
The molecule CCCCCCCCCCCCCCCCCCCCCCC(C(=O)N[C@@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O[C@H]2[C@H]([C@H]([C@@H]([C@H](O2)COP(=O)(O)OC3[C@@H]([C@H](C([C@H]([C@H]3O)O)O)O)O)O)O)O)O)O)O)O)[C@@H](CCCCCCCCCCCCCCC)O)O is a mannosylinositol phosphorylceramide compound having an inositol 1-phosphoryl group attached to the mannose residue and a tetracosanoyl group attached to the ceramide nitrogen, with no hydroxylation at C-4 of the long-chain base, and hydroxylation at C-2 of the very-long-chain fatty acid. It has a role as a Saccharomyces cerevisiae metabolite. It derives from a Man-beta1-2-Ins-1-P-Cer(d18:0/2-OH-24:0). It is a conjugate acid of an Ins-1-P-6-Man-beta1-2-Ins-1-P-Cer(d18:0/2-OH-24:0)(2-).
The molecule OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)ccc2c1occ(-c1ccc(O)cc1)c2=O OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)ccc2c1occ(-c1ccc(O)cc1)c2=O is A hydroxyisoflavone that is  isoflavone substituted by hydroxy groups at positions 7 and 4' and a beta-D-glucopyranosyl residue at position 8 via a C-glycosidic linkage. It has the role of autophagy inducer . It has the role of ferroptosis inhibitor . It has the role of antioxidant . It has the role of antipyretic . It has the role of anti-inflammatory agent . It has the role of plant metabolite . It has the role of cardioprotective agent . Its functional parent is isoflavone . It is a conjugate acid of puerarin(1-) . It is also related to or classified as C-glycosyl compound , hydroxyisoflavone .
The molecule ClC(CCCCCCCCCC(O[C@@H]1OC[C@@H](O)[C@H]([C@@H]1O)O[C@H]2O[C@@H](C(=O)O)[C@@H](O)[C@H]([C@@H]2O)O)C(O)C(=O)NC(C(=O)NC3C(=O)NC(C(=O)NC(C(=O)N/C(/C(=O)N[C@@H](CCC(=O)N)C(NCC(N(C(C(N[C@@H](C(OC3C)=O)CCC(=O)N)=O)C(O[C@H]4O[C@H]([C@H](O)[C@H]([C@H]4O)O)CO)C)C)=O)=O)=C\C)C(O)C5=CC=C(O)C=C5)C(O)C)C(O)C)CCC ClC(CCCCCCCCCC(O[C@@H]1OC[C@@H](O)[C@H]([C@@H]1O)O[C@H]2O[C@@H](C(=O)O)[C@@H](O)[C@H]([C@@H]2O)O)C(O)C(=O)NC(C(=O)NC3C(=O)NC(C(=O)NC(C(=O)N/C(/C(=O)N[C@@H](CCC(=O)N)C(NCC(N(C(C(N[C@@H](C(OC3C)=O)CCC(=O)N)=O)C(O[C@H]4O[C@H]([C@H](O)[C@H]([C@H]4O)O)CO)C)C)=O)=O)=C\C)C(O)C5=CC=C(O)C=C5)C(O)C)C(O)C)CCC is Balticidin B. It is also related to or classified as glycoside  . It is also related to or classified as cyclodepsipeptide  .
The molecule NC1=C2NC(=O)NC2=NC(=O)N1 NC1=C2NC(=O)NC2=NC(=O)N1 is an oxopurine that is adenine bearing two oxo substituents at positions 2 and 8. It has the role of nephrotoxic agent . It has the role of mammalian metabolite . It has the role of human urinary metabolite . Its functional parent is adenine . It is also related to or classified as 6-aminopurines  . It is also related to or classified as oxopurine .
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)COS(O)(=O)=O [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)COS(O)(=O)=O is A steroid sulfate obtained by the formal condensation of hydroxy group at position 21 of cortisol with sulfuric acid. It has the role of human metabolite . It is a conjugate acid of cortisol 21-sulfate(1-) . 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 steroid sulfate , cortisol ester , 17alpha-hydroxy steroid , 20-oxo steroid .
The molecule CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](/C=C/CCCCCCCCCCCC)O is a ceramide that is the N-tetracosanoyl derivative of C17-sphingosine. It is a N-acylheptadecasphingosine, a Cer(d41:1) and a N-(very-long-chain fatty acyl)-sphingoid base. It derives from a C17 sphingosine(1+) and a tetracosanoic acid.
The molecule [H][C@@]1(NC[C@H](C(C)C)[C@@H]1CC(O)=O)C(O)=O [H][C@@]1(NC[C@H](C(C)C)[C@@H]1CC(O)=O)C(O)=O is dihydrokainic acid. Its functional parent is kainic acid . It is also related to or classified as dicarboxylic acid .
The molecule CCCCCCCC/C=C\\CCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCC/C=C\\C/C=C\\CCCCC is a triacylglycerol 50:2 in which the acyl groups at positions 1, 2 and 3 are specified as linoleoyl, oleoyl and isoheptadecanoyl respectively. It is a metabolite of the nematode Caenorhabditis elegans. It has a role as a Caenorhabditis elegans metabolite. It is a triacyl-sn-glycerol, a triacylglycerol 53:3 and a linoleoyl containing 1,2,3-triacyl-sn-glycerol.
The molecule [H][C@@]12CCC3=CC(=O)C=C[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])C(C)=O [H][C@@]12CCC3=CC(=O)C=C[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])C(C)=O is A 3-oxo Delta(4)-steroid that is progesterone which has been oxidised to introduce a double bond between positions 1 and 2. Its functional parent is progesterone .  It is also related to or classified as 3-oxo-Delta(1),Delta(4)-steroid  . It is also related to or classified as 20-oxo steroid .
The molecule O=C([O-])[C@@H]([N+](C)(C)C)CCC1=CC(OC)=C(O)C(=C1)OC O=C([O-])[C@@H]([N+](C)(C)C)CCC1=CC(OC)=C(O)C(=C1)OC is Solorinin. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .