anonymous041/ChEBI-Augmented huggingface dataset:
The molecule [H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C)[C@H](C)CCCC(C)(C)O [H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C)[C@H](C)CCCC(C)(C)O is A hydroxycalciol that is calcidiol in which the pro-S hydrogen of calcidiol is replaced by a hydroxy group. It is the active form of vitamin D3, produced fom calciol via hydoxylation in the liver to form calcidiol, which is subsequently oxidised in the kidney to give calcitriol. It has the role of hormone . It has the role of metabolite . It has the role of antineoplastic agent . It has the role of calcium channel agonist . It has the role of calcium channel modulator . It has the role of bone density conservation agent . It has the role of nutraceutical . It has the role of antipsoriatic . It has the role of immunomodulator . It has the role of mouse metabolite . It has the role of human metabolite .  It is also related to or classified as hydroxycalciol  . It is also related to or classified as triol , D3 vitamins .
The molecule C1=CC=C2C(=C1)C(=C[NH+]2)C[C@H](C(=O)O)N is a tryptophanyl radical cation. It derives from a D-tryptophan. It is a conjugate acid of a D-tryptophanyl radical. It is an enantiomer of a L-tryptophanyl radical cation.
The molecule [C@@H](CC[Se+](C)C)(C(O)=O)N [C@@H](CC[Se+](C)C)(C(O)=O)N is A Se-methylselenomethionine that has D-configuration. It is also related to or classified as Se-methylselenomethionine  . It is also related to or classified as D-alpha-amino acid  .
The molecule C(CCCCCCCC(C(=O)O)O)CC C(CCCCCCCC(C(=O)O)O)CC is A monohydroxy fatty acid with a lauric acid core substituted at position 2 by a hydroxy group, which confers chirality; a component of cellular lipids in Pseudomonas strains. Its functional parent is dodecanoic acid . It is a conjugate acid of 2-hydroxydodecanoate . It is also related to or classified as 2-hydroxy fatty acid  . It is also related to or classified as 2-hydroxy monocarboxylic acid .
The molecule [Ni+2] is a nickel cation in which the nickel carries a double positive charge. It has a role as a cofactor. It is a divalent metal cation, a metal cation allergen, a nickel cation and a monoatomic dication.
The molecule [S]C#N [S]C#N is nitridosulfidocarbon(.). Its functional parent is thiocyanic acid . It is also related to or classified as organic radical .
The molecule C1(NC([C@H](CC1)N)=O)=O C1(NC([C@H](CC1)N)=O)=O is A dicarboximide that is piperidine-2,6-dione substituted at position 3S by an amino group; major microspecies at pH 7.3. It is also related to or classified as pyroglutamine  .
The molecule O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=C3C(OC(=O)C=C3)=CC(OC)=C2OC)CO O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=C3C(OC(=O)C=C3)=CC(OC)=C2OC)CO is Tomenin.  It is also related to or classified as glycoside  . It is also related to or classified as coumarins .
The molecule O=C1C=2C=CC=NC2N=C(N1C3=CC=C(OCC)C=C3)C(N(C(=O)CC4=CC=C(F)C(=C4)C(F)(F)F)CC=5C=NC=CC5)C O=C1C=2C=CC=NC2N=C(N1C3=CC=C(OCC)C=C3)C(N(C(=O)CC4=CC=C(F)C(=C4)C(F)(F)F)CC=5C=NC=CC5)C is nBI-74330 is a potent antagonist for CXCR3, and exhibits potent inhibition of (125I)CXCL10 and (125I)CXCL11 specific binding with Ki of 1.5 and 3.2 nM, respectively. It is also related to or classified as organic molecular entity .
The molecule CCCCCCCCCCCCCCCCCCC(O)C(O)=O CCCCCCCCCCCCCCCCCCC(O)C(O)=O is A long-chain fatty acid that is arachidic (icosanoic) acid substituted at position 2 by a hydroxy group. Its functional parent is icosanoic acid . It is a conjugate acid of 2-hydroxyarachidate . It is also related to or classified as 2-hydroxy fatty acid  . It is also related to or classified as long-chain fatty acid  .
The molecule CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)OCCCC(=O)NCCNC(=O)CCC(=O)NCCOCCOCCN is an iminium ion consisting of malachite green cation, substituted at the para position of the otherwise unsubstituted phenyl group with a diethylene glycol diamine linker, the terminal amino group of which may form part of a fluorogen activating protein (FAP). It has a role as a fluorogen. It derives from a malachite green cation.
The molecule COC1=CC=C(CC(=O)C2=CC=C3OC(C)(C)C=CC3=C2OC)C=C1OC COC1=CC=C(CC(=O)C2=CC=C3OC(C)(C)C=CC3=C2OC)C=C1OC is A chromene that is 2,2-dimethyl-2H-chromene substituted by methoxy and (3,4-dimethoxyphenyl)acetyl groups at positions 5 and 6, respectively. It is a Hsp90 inhibitor that exhibits antineoplastic activity. It has the role of antineoplastic agent . It has the role of angiogenesis inhibitor . It has the role of Hsp90 inhibitor . It has the role of apoptosis inducer . It is also related to or classified as chromenes , dimethoxybenzene , aromatic ketone , aromatic ether .
The molecule [H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@H]3[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]4[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@H]5[C@@H](O)[C@@H](CO)O[C@H](O)[C@@H]5NC(C)=O)O[C@@H]4CO)[C@@H]3O)O[C@@H]2CO)[C@@H]1O)C(O)=O)[C@H](O)[C@H](O)CO [H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@H]3[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]4[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@H]5[C@@H](O)[C@@H](CO)O[C@H](O)[C@@H]5NC(C)=O)O[C@@H]4CO)[C@@H]3O)O[C@@H]2CO)[C@@H]1O)C(O)=O)[C@H](O)[C@H](O)CO is A linear amino hexasaccharide comprising a (2->3), (1->4), (1->3), (1->4), (1->3) sequence of alpha-N-acetylneuramine, beta-D-galactose, N-acetyl-beta-D-glucosamine, beta-D-galactose, N-acetyl-beta-D-glucosamine and (at the reducing end) N-acetyl-alpha-D-galactosamine. It is also related to or classified as galactosamine oligosaccharide , glucosamine oligosaccharide , amino hexasaccharide .
The molecule C/C=C/C(=O)O is a but-2-enoic acid with a trans- double bond at C-2. It has been isolated from Daucus carota. It has a role as a plant metabolite. It is a conjugate acid of a crotonate.
The molecule BrC1=C(OC)C(O)=C(O)C=C1C BrC1=C(OC)C(O)=C(O)C=C1C is Alcalinaphenol D. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule CCCCCCCCCCCCCCCC(O)C(O)=O CCCCCCCCCCCCCCCC(O)C(O)=O is A 2-hydroxy fatty acid that is heptadecanoic acid (margaric acid) substituted by a hydroxy group at position 2. Its functional parent is heptadecanoic acid . It is also related to or classified as 2-hydroxy fatty acid  .
The molecule COC1=CC(=CC(=C1OC)OC)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC is a tetramethoxyflavone that is myricetin in which the hydroxy groups at positions 3, 3', 4' and 5' are replaced by methoxy groups. It is isolated from Bridelia ferruginea, a subtropical medicinal plant widely used in traditional African medicine. It has a role as a plant metabolite. It is a tetramethoxyflavone, a dihydroxyflavone and a member of 3'-methoxyflavones. It derives from a myricetin.
The molecule [H][C@@]12C[C@]1([H])[C@@]1(C)C(=CC2=O)C(Cl)=C[C@@]2([H])[C@]3([H])CC[C@](OC(C)=O)(C(C)=O)[C@@]3(C)CC[C@]12[H] [H][C@@]12C[C@]1([H])[C@@]1(C)C(=CC2=O)C(Cl)=C[C@@]2([H])[C@]3([H])CC[C@](OC(C)=O)(C(C)=O)[C@@]3(C)CC[C@]12[H] is A steroid ester resulting from the formal condensation of the carboxy group of acetic acid with the 17-hydroxy group of cyproterone. It is an antiandrogenic drug which has recently been recognized to promote the occurrence and growth of intracranial meningiomas. It has the role of geroprotector . It has the role of androgen antagonist . It has the role of progestin . Its functional parent is cyproterone .  It is also related to or classified as acetate ester  .  It is also related to or classified as 3-oxo-Delta(4) steroid  . It is also related to or classified as 20-oxo steroid , steroid ester , chlorinated steroid .
The molecule [Na+].[Na+].[Ca++].[O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O [Na+].[Na+].[Ca++].[O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O is an organic calcium salt of EDTA diisodium. It is a chelating agent that is used for the treatment of lead poisoning. It has the role of geroprotector . It has the role of chelator . It has the role of antidote . It is also related to or classified as organic calcium salt .
The molecule C1[C@@H]2[C@@H]([C@@H](N2C(=O)CN1)CO)C3=CC=C(C=C3)C4=CC=C(C=C4)C#N C1[C@@H]2[C@@H]([C@@H](N2C(=O)CN1)CO)C3=CC=C(C=C3)C4=CC=C(C=C4)C#N is 4-[4-[(6S,7S,8R)-8-(hydroxymethyl)-2-oxo-1,4-diazabicyclo[4.2.0]octan-7-yl]phenyl]benzonitrile. It is also related to or classified as nitrile  . It is also related to or classified as biphenyls .
The molecule CC1=C(CCC(O)=O)\C(/N=C1/C=C1NC(=O)C(C=C)=C/1C)=C\c1[nH]c(\C=C2NC(=O)C(C)=C/2C=C)c(C)c1CCC(O)=O CC1=C(CCC(O)=O)\C(/N=C1/C=C1NC(=O)C(C=C)=C/1C)=C\c1[nH]c(\C=C2NC(=O)C(C)=C/2C=C)c(C)c1CCC(O)=O is A linear tetrapyrrole produced in the reticuloendothelial system by the first step of heme degradation, catalysed by heme oxygenase. It has the role of mouse metabolite . It has the role of human metabolite . It is a conjugate acid of biliverdin(2-) . It is also related to or classified as bilins .
The molecule CC(C)OC(=O)/C=C(/C)\\O is an isopropyl ester resulting from the formal condensation of the carboxy group of 3-hydroxybut-2-enoic acid with isopropanol. It derives from a propan-2-ol and a 3-hydroxybut-2-enoic acid.
The molecule O[C@@H]1[C@@H](O)[C@H](OC2=CC3=C(C(=O)C=C(O3)C3=CC=CC=C3)C(O)=C2O)O[C@@H]([C@H]1O)C(O)=O O[C@@H]1[C@@H](O)[C@H](OC2=CC3=C(C(=O)C=C(O3)C3=CC=CC=C3)C(O)=C2O)O[C@@H]([C@H]1O)C(O)=O is the glycosyloxyflavone which is the 7-O-glucuronide of baicalein. It is an active ingredient of Chinese herbal medicine Scutellaria baicalensis. It has the role of antiatherosclerotic agent . It has the role of anticoronaviral agent . It has the role of EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor . It has the role of ferroptosis inhibitor . It has the role of antioxidant . It has the role of antibacterial agent . It has the role of non-steroidal anti-inflammatory drug . It has the role of antineoplastic agent . It has the role of prodrug . It has the role of neuroprotective agent . It has the role of EC 3.4.21.26 (prolyl oligopeptidase) inhibitor . It has the role of plant metabolite . It has the role of cardioprotective agent . Its functional parent is baicalein . It is a conjugate acid of baicalin(1-) .   It is also related to or classified as glycosyloxyflavone  . It is also related to or classified as glucosiduronic acid , dihydroxyflavone , monosaccharide derivative .
The molecule C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)[C@H](C)CO)C)CN(C)CC4=CC=C(C=C4)OC C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)[C@H](C)CO)C)CN(C)CC4=CC=C(C=C4)OC is N-[(3S,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-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 CN1CC[C@H]2CC[C@@H]([C@@H](O2)COC3=C(C=C(C=C3)C#N)C(=O)N(CCCC1=O)C)OC CN1CC[C@H]2CC[C@@H]([C@@H](O2)COC3=C(C=C(C=C3)C#N)C(=O)N(CCCC1=O)C)OC is LSM-39811. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule OC1(C2C(CC1O)C(=COC2OC3OC(C(O)C(O)C3O)COC(=O)/C=C/C4=CC=C(O)C=C4)C(O)=O)C OC1(C2C(CC1O)C(=COC2OC3OC(C(O)C(O)C3O)COC(=O)/C=C/C4=CC=C(O)C=C4)C(O)=O)C is Lippioside I. It is also related to or classified as glycoside  . It is also related to or classified as iridoid monoterpenoid .
The molecule P(OC[C@@H](COC(CCCCCCCCCCCCCC)=O)OC(CCCCCCCCCCCCCCCCC)=O)(=O)(OCCN)O P(OC[C@@H](COC(CCCCCCCCCCCCCC)=O)OC(CCCCCCCCCCCCCCCCC)=O)(=O)(OCCN)O is A 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which the acyl substituents at positions 1 and 2 are specified as pentadecanoyl and octadecanoyl respectively. It has the role of Papio hamadryas metabolite . Its functional parent is octadecanoic acid . Its functional parent is pentadecanoic acid . It is also related to or classified as 1,2-diacyl-sn-glycero-3-phosphoethanolamine  .
The molecule C[C@@]12CC3=C(CCC([O-])=O)[C@](C)(CC([O-])=O)C(/C=C4\[NH2+][C@@](C)([C@@H]5N=C(\C=C([NH2+]1)\C(CCC([O-])=O)=C2CC([O-])=O)[C@](C)(CCC([O-])=O)[C@H]5CC([O-])=O)[C@@](C)(CC([O-])=O)[C@@H]4CCC([O-])=O)=N3 C[C@@]12CC3=C(CCC([O-])=O)[C@](C)(CC([O-])=O)C(/C=C4\[NH2+][C@@](C)([C@@H]5N=C(\C=C([NH2+]1)\C(CCC([O-])=O)=C2CC([O-])=O)[C@](C)(CCC([O-])=O)[C@H]5CC([O-])=O)[C@@](C)(CC([O-])=O)[C@@H]4CCC([O-])=O)=N3 is hexaanion of precorrin-6Y. It is also related to or classified as precorrin carboxylic acid anion .
The molecule CC1=C(C=C)\C(NC1=O)=C/c1[nH]c(Cc2[nH]c(\C=C3NC(=O)C(C=C)=C\3C)c(C)c2CCC(O)=O)c(CCC(=O)O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)c1C CC1=C(C=C)\C(NC1=O)=C/c1[nH]c(Cc2[nH]c(\C=C3NC(=O)C(C=C)=C\3C)c(C)c2CCC(O)=O)c(CCC(=O)O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)c1C is mono(glucosyluronic acid)bilirubin. It is a conjugate acid of mono(glucosyluronic acid)bilirubin(2-) . It is also related to or classified as (glucosyluronic acid)bilirubin .
The molecule C1C(=NC2=C(N1)N=C(NC2=O)N)CNC3=CC(=C(C=C3)C(=O)O)[O-] is a member of the class of pteroates that is the conjugate base of 2-hydroxy-7,8-dihydropteroic acid, obtained by deprotonation of the carboxy group. Major microspecies at pH 7.3. It is a member of pteroates and a hydroxybenzoate. It derives from a 7,8-dihydropteroate.
The molecule O[N+]#[C-] O[N+]#[C-] is isofulminic acid. It is a conjugate acid of fulminate . It is also related to or classified as pseudohalogen oxoacid , one-carbon compound .
The molecule [H][C@@]12C[C@@H](C)[C@](OC(=O)c3ccco3)(C(=O)CCl)[C@@]1(C)C[C@H](O)[C@@]1(Cl)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C [H][C@@]12C[C@@H](C)[C@](OC(=O)c3ccco3)(C(=O)CCl)[C@@]1(C)C[C@H](O)[C@@]1(Cl)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C is mometasone furoate. It has the role of anti-inflammatory drug . It has the role of anti-allergic agent . Its functional parent is mometasone . It is also related to or classified as 11beta-hydroxy steroid  . It is also related to or classified as organochlorine compound  .    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 , steroid ester , 2-furoate ester .
The molecule CCCCCCCCCCCC(=O)OC[C@@H](O)COP(O)(=O)OC[C@@H](O)CO CCCCCCCCCCCC(=O)OC[C@@H](O)COP(O)(=O)OC[C@@H](O)CO is A 1-acyl-sn-glycero-3-phospho-(1'-sn-glycerol) in which the 1-acyl substituent is specified as dodecanoyl (lauroyl). It has the role of plant metabolite . It has the role of human metabolite . Its functional parent is dodecanoic acid . It is also related to or classified as 1-acyl-sn-glycero-3-phospho-(1'-sn-glycerol)  .
The molecule CC1=C(C=C)\C(NC1=O)=C/c1[nH]c(Cc2[nH]c(\C=C3NC(=O)C(C=C)=C\3C)c(C)c2CCC(=O)O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)c(CCC(=O)O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)c1C CC1=C(C=C)\C(NC1=O)=C/c1[nH]c(Cc2[nH]c(\C=C3NC(=O)C(C=C)=C\3C)c(C)c2CCC(=O)O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)c(CCC(=O)O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)c1C is bis(beta-glucosyluronic acid)bilirubin. It has the role of mouse metabolite . It is a conjugate acid of bis(beta-glucosyluronate)bilirubin . It is also related to or classified as (glucosyluronic acid)bilirubin .
The molecule CCN(CC)CCOC(=O)C1=C(C=C(C=C1)N)Cl.Cl is the monohydrochloride salt of chloroprocaine. Used as a local anaesthetic, particularly for oral surgery, it has the advantage over lidocaine of constricting blood vessels, so reducing bleeding. It has a role as a local anaesthetic, a peripheral nervous system drug and a central nervous system depressant. It contains a chloroprocaine.
The molecule C1CCN2[C@@H](CN(C1)C(=O)CN3CCOCC3)[C@@H]([C@@H]2CO)C4=CC=C(C=C4)Br C1CCN2[C@@H](CN(C1)C(=O)CN3CCOCC3)[C@@H]([C@@H]2CO)C4=CC=C(C=C4)Br is 1-[(8R,9S,10R)-9-(4-bromophenyl)-10-(hydroxymethyl)-1,6-diazabicyclo[6.2.0]decan-6-yl]-2-(4-morpholinyl)ethanone. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule [H][C@@]1(O[C@H](O[C@@H]2[C@H](O)[C@@H](O[C@@H]3[C@@H](C[C@@](O)(O[C@]3([H])[C@H](O)CO)C(O)=O)O[C@@]3(C[C@@H](O)[C@@H](O)[C@]([H])(O3)[C@H](O)CO)C(O)=O)O[C@]([H])([C@@H](O)CO)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@@H]1O)[C@@H](O)CO [H][C@@]1(O[C@H](O[C@@H]2[C@H](O)[C@@H](O[C@@H]3[C@@H](C[C@@](O)(O[C@]3([H])[C@H](O)CO)C(O)=O)O[C@@]3(C[C@@H](O)[C@@H](O)[C@]([H])(O3)[C@H](O)CO)C(O)=O)O[C@]([H])([C@@H](O)CO)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@@H]1O)[C@@H](O)CO is A branched amino octasaccharide consisting of a linear pentasaccharide comprising N-acetyl-beta-D-galactosamine, beta-D-galactose, two L-glycero-alpha-D-manno-heptose (L-alpha-D-Hep) residues and a 3-deoxy-alpha-D-manno-oct-2-ulose (alpha-Kdo) residue linked in sequence (1->4), (1->3),(1->3) and (1->5), to the L-alpha-D-Hep residue proximal to the reducing end is also linked (1->4) a beta-D-glucose residue, while the galactose residue also carries an N-acetyl-alpha-neuraminic acid residue via a (2->3) linkage and the alpha-Kdo residue also carries a second alpha-Kdo residue linked (2->-4). One of a number of chemoenzymatically synthesised oligosaccharides composed of the inner core oligosaccharide of Campylobacter jejuni extended by various ganglioside mimics. It is also related to or classified as amino octasaccharide .
The molecule CC1=C(C=C)\C(NC1=O)=C\C1=C(C)C(CCC(O)=O)=C(CC2=C(CCC(O)=O)C(C)=C(N2)\C=C2/NC(=O)C(C=C)=C2C)N1 CC1=C(C=C)\C(NC1=O)=C\C1=C(C)C(CCC(O)=O)=C(CC2=C(CCC(O)=O)C(C)=C(N2)\C=C2/NC(=O)C(C=C)=C2C)N1 is A member of the class of  biladienes that is a linear tetrapyrrole with the dipyrrole units being of both exovinyl and endovinyl type. A product of heme degradation, it is produced in the reticuloendothelial system by the reduction of biliverdin and transported to the liver as a complex with serum albumin. It has the role of antioxidant . It has the role of mouse metabolite . It has the role of human metabolite . It is a conjugate acid of bilirubin(2-) . It is also related to or classified as dicarboxylic acid , biladienes .
The molecule C1=CC(=CC=C1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O is a beta-D-galactopyranoside having a 4-nitrophenyl substituent at the anomeric position. It has a role as an affinity label. It is a beta-D-galactoside and a monosaccharide derivative.
The molecule [Mo](S)(=O)=O [Mo](S)(=O)=O is A molybdenum coordination entity consisting of a cntral molybdenum in the +5 oxidation state coordinated to two oxygens and one sulfanyl group. It is also related to or classified as molybdenum coordination entity .
The molecule CC[C@@H](C(=O)[O-])NC(=O)CC[C@@H](C(=O)[O-])[NH3+] CC[C@@H](C(=O)[O-])NC(=O)CC[C@@H](C(=O)[O-])[NH3+] is major microspecies at pH 7.3. It is also related to or classified as dipeptide  .
The molecule [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CCl)[C@@]1(C)C[C@H](O)[C@@]1(Cl)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CCl)[C@@]1(C)C[C@H](O)[C@@]1(Cl)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C is mometasone. It has the role of anti-inflammatory drug . It has the role of dermatologic drug . It has the role of vasoconstrictor agent . It has the role of anti-allergic agent . Its functional parent is Delta(1)-progesterone . 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(1),Delta(4)-steroid  . It is also related to or classified as 17alpha-hydroxy steroid , 20-oxo steroid , chlorinated steroid .
The molecule [NH3+][C@@H](Cc1c[nH]c[nH+]1)C(O)=O [NH3+][C@@H](Cc1c[nH]c[nH+]1)C(O)=O is the L-enantiomer of histidinium(2+). It has the role of Saccharomyces cerevisiae metabolite . It has the role of Escherichia coli metabolite . It is a conjugate acid of L-histidinium(1+) . It is also related to or classified as histidinium(2+)  .
The molecule C[n+]1ccc(cc1)-c1cc[n+](C)cc1 C[n+]1ccc(cc1)-c1cc[n+](C)cc1 is an organic cation that consists of 4,4'-bipyridine bearing two N-methyl substituents loctated at the 1- and 1'-positions. It has the role of geroprotector . It has the role of herbicide . It is also related to or classified as organic cation .
The molecule C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2O)O)CCC4=C3C=CC(=C4)OCC=C is a 16alpha-hydroxy steroid that is estriol in which the hydroxy group at position 3 is replaced by an allyloxy group. It is a 16alpha-hydroxy steroid and a 17beta-hydroxy steroid. It derives from an estriol. It derives from a hydride of an estrane.
The molecule [H][C@@]12CCCC(C)(C)C1CC[C@]1([H])[C@@]2(C)CC[C@]2(C)[C@]([H])(CC[C@@]12C)[C@H](C)CCCC(C)C [H][C@@]12CCCC(C)(C)C1CC[C@]1([H])[C@@]2(C)CC[C@]2(C)[C@]([H])(CC[C@@]12C)[C@H](C)CCCC(C)C is A triterpene that is an isomer of lanostane obtained by migration of the methyl group from 10 to the 9beta position. It is also related to or classified as triterpene  .
The molecule C[N+](C)(C)CC(CC(=O)[O-])OC(=O)CCC/C=C\\CCCCCCCC(=O)O is an O-acylcarnitine having (5Z)-13-carboxytridec-5-enoyl as the acyl substituent. It has a role as a metabolite. It is a carboxylic ester, an ammonium betaine and an O-(carboxytridecenoyl)carnitine. It derives from a carnitine.
The molecule O=C(N)C1(C2=C(C(=NN2CC3=CC=C(F)C=C3)C(=O)NC=4C=C(C(OC)=C(C4)C)C)CN(C(=O)C5=CC=CN5)C1)C O=C(N)C1(C2=C(C(=NN2CC3=CC=C(F)C=C3)C(=O)NC=4C=C(C(OC)=C(C4)C)C)CN(C(=O)C5=CC=CN5)C1)C is gSK864 is an isocitrate dehydrogenase 1 (IDH1) mutant inhibitor; inhibits IDH1 mutants R132C, R132H, and R132G with IC50 values of 8.8, 15.2 and 16.6 nM. It is also related to or classified as organic molecular entity .
The molecule O1C(C(O)C(O)C(O)C1OC2=C(C(O)=C3C(OC=C(C3=O)C4=C(O)C=C(O)C=C4)=C2)CC=C(C)C)CO O1C(C(O)C(O)C(O)C1OC2=C(C(O)=C3C(OC=C(C3=O)C4=C(O)C=C(O)C=C4)=C2)CC=C(C)C)CO is Luteone 7-glucoside. It is also related to or classified as acrovestone  . It is also related to or classified as isoflavonoid .
The molecule O[C@@H]1C[C@@](O)(C[C@@H](O)[C@H]1OC(=O)\C=C\C1=CC=C(O)C=C1)C(O)=O O[C@@H]1C[C@@](O)(C[C@@H](O)[C@H]1OC(=O)\C=C\C1=CC=C(O)C=C1)C(O)=O is A 4-p-coumaroylquinic acid in which the double bond adopts a trans-configuration. It has the role of plant metabolite . It is also related to or classified as 4-p-coumaroylquinic acid  .
The molecule [H][C@@]1(CC[C@@]2(C)[C@]3([H])CC=C4[C@@]([H])(CC[C@H](O)C4(C)C)[C@]3(C)CC[C@]12C)[C@H](C)CCC=C(C)C [H][C@@]1(CC[C@@]2(C)[C@]3([H])CC=C4[C@@]([H])(CC[C@H](O)C4(C)C)[C@]3(C)CC[C@]12C)[C@H](C)CCC=C(C)C is A tetracyclic triterpenoid that is 4,9-cyclo-9,10-secocholesta-5,24-diene substituted by methyl groups at the 9beta, 10, and 14 positions, and by a hydroxy group at position 1. It is also related to or classified as tetracyclic triterpenoid .
The molecule C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@H]([C@H](O[C@@H]([C@@H]2O)O)CO)O)O)O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O is a linear trisaccharide comprised of mannose, rhamnose and galactose residues linked alpha(1->4) and alpha(1->3), respectively, with alpha configuration at the anomeric centre of the galactose residue.
The molecule [H+].CS([O-])(=O)=O.CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN [H+].CS([O-])(=O)=O.CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN is A methanesulfonate salt obtained by reaction of desferrioxamine B with one molar equivalent of methanesulfonic acid. It is an iron-chelating medicine used to remove excess iron from the body. It binds to iron in the blood, which is then passed out in the urine. It has the role of ferroptosis inhibitor . It has the role of iron chelator . It has the role of antidote . It is also related to or classified as methanesulfonate salt .