anonymous041/ChEBI-Augmented huggingface dataset:
The molecule NC(Cc1ccc([OH+])cc1)C(O)=O NC(Cc1ccc([OH+])cc1)C(O)=O is tyrosinyl radical cation. Its functional parent is tyrosine . It is a conjugate acid of tyrosinyl radical . It is also related to or classified as alpha-amino-acid radical cation .
The molecule C1=CC=CC2=C1NC=3[C@@H](C=CCC3N2)C(=O)[O-] C1=CC=CC2=C1NC=3[C@@H](C=CCC3N2)C(=O)[O-] is A monocarboxylic acid anion that is the conjugate base of (1R)-1,4,5,10-tetrahydrophenazine-1-carboxylic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as monocarboxylic acid anion  . It is also related to or classified as aromatic amino-acid anion .
The molecule O=C1O[C@H](C[C@@H]2O[C@H]([C@H](O)C(C2)=O)CC=CC3=C1C(O)=CC(=C3OC)OC)C O=C1O[C@H](C[C@@H]2O[C@H]([C@H](O)C(C2)=O)CC=CC3=C1C(O)=CC(=C3OC)OC)C is Hamigeromycin B. It is also related to or classified as macrolide  . It is also related to or classified as resorcinols .
The molecule CC(=C)C(CCC(=O)C)CC(=O)[O-] is a 6-oxo monocarboxylic acid anion that is the conjugate base of 3-isopropenyl-6-oxoheptanoic acid; major species at pH 7.3. It derives from a heptanoate. It is a conjugate base of a 3-isopropenyl-6-oxoheptanoic acid.
The molecule C12=C(N=C(N=C1SC)N)NC=N2 C12=C(N=C(N=C1SC)N)NC=N2 is A metabolite of thioguanine, a drug used in cancer chemotherapy. It has the role of human xenobiotic metabolite . Its functional parent is tioguanine . It is also related to or classified as 2-aminopurines  . It is also related to or classified as thiopurine .
The molecule CC(C)(CO)C(C(=O)NCCC(=O)[O-])O is a monocarboxylic acid anion that is the conjugate base of pantothenic acid, obtained by deprotonation of the carboxy group. It has a role as an algal metabolite. It is a conjugate base of a pantothenic acid.
The molecule [H][Po][H] [H][Po][H] is polane. It is also related to or classified as chalcogen hydride , polonium molecular entity , mononuclear parent hydride .
The molecule C12=C(C=CC(=C1OC)O)C=CC(O2)=O C12=C(C=CC(=C1OC)O)C=CC(O2)=O is 7-hydroxy-8-methoxycoumarin. Its functional parent is 7,8-dihydroxycoumarin . It is also related to or classified as hydroxycoumarin .
The molecule O1C=2C(C(=O)C=C1C3=CC(OC)=C(O)C=C3)=C(O)C(O)=C(O)C2O O1C=2C(C(=O)C=C1C3=CC(OC)=C(O)C=C3)=C(O)C(O)=C(O)C2O is 4',5,6,7,8-Pentahydroxy-3'-methoxyflavone. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule O1C(C(O)C(=O)C=2C1=CC(OC)=CC2O)C3=CC(OC)=C(O)C=C3 O1C(C(O)C(=O)C=2C1=CC(OC)=CC2O)C3=CC(OC)=C(O)C=C3 is 3,4',5-Trihydroxy-3',7-dimethoxyflavanone. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule CC1=CC(=C(C=C1C)[N+](=O)[O-])C2=CC=C(O2)/C=C/3\\C(=O)NC(=NC4=CC(=C(C=C4)Cl)C(=O)O)S3 is a member of the class of furans that in which the furan ring is substituted by a (2-amino-4-oxo-1,3-thiazol-5(4H)-ylidene)methyl group at position 2 and a 4,5-dimethyl-2-nitrophenyl group at position 5, and i which the amino substituent of the thiazolone has been substituted by a 3-carboxy-4-chlorophenyl group. It is a direct activator of the alpha-subunit of AMP-activated protein kinase (5' adenosine monophosphate-activated protein kinase, AMPK). It has a role as a protein kinase agonist. It is a member of 1,3-thiazoles, a biaryl, a member of furans, a C-nitro compound, an aminobenzoic acid and a member of monochlorobenzenes.
The molecule C=1(C=CC2=C(C1)N=CN2)O C=1(C=CC2=C(C1)N=CN2)O is A member of the class of benzimidazoles that is 1H-benzimidazole carrying a single hydroxy substituent at position 5. It has the role of bacterial metabolite . It has the role of human metabolite . It has the role of rat metabolite .  It is also related to or classified as phenols  . It is also related to or classified as benzimidazoles .
The molecule Cl[C@@H]1C=C2C(=O)C3=C(O)C(=C(O)C=C3C([C@]2(C[C@@H]4[C@@](O)(CC[C@@H](C4(C)C)Cl)C)OC1(C)C)=O)C Cl[C@@H]1C=C2C(=O)C3=C(O)C(=C(O)C=C3C([C@]2(C[C@@H]4[C@@](O)(CC[C@@H](C4(C)C)Cl)C)OC1(C)C)=O)C is 3-chloro-10a-(3-chloro-6-hydroxy-2,2,6-trimethylcyclohexylmethyl)-6,8-di-hydroxy-2,2,7-trimethyl-3,10a-dihydro-2H-benzo[g]chromene-5,10-dione. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O is a member of the class of 1-benzothiophenes that is 1-benzothiophene in which the hydrogens at positions 2, 3, and 6 have been replaced by p-hydroxyphenyl, p-[2-(piperidin-1-yl)ethoxy]benzoyl, and hydroxy groups, respectively. It has a role as a bone density conservation agent, an estrogen receptor modulator and an estrogen antagonist. It is a member of phenols, an aromatic ketone, a member of 1-benzothiophenes and a N-oxyethylpiperidine. It is a conjugate base of a raloxifene(1+).
The molecule C(OC(CCCCC)=O)[C@H](COC(CCCCCCC/C=C\CCCCCCCC)=O)OC(CCCCC)=O C(OC(CCCCC)=O)[C@H](COC(CCCCCCC/C=C\CCCCCCCC)=O)OC(CCCCC)=O is the S-enantiomer of 1,2-dihexanoyl-3-oleoylglycerol. It is also related to or classified as organic molecular entity .
The molecule CCCCCC1=C(C(=CC(=C1OC2=CC(=CC3=C2C(=O)OC3(CCCC)O)OC)O)O)C(=O)O is a member of the class of 2-benzofurans that is 3-butyl-3-hydroxy-2-benzofuran-1(3H)-one substituted by a 3-carboxy-4,6-dihydroxy-2-pentylphenoxy group and a methoxy group at positions 4 and 6, respectively. It is a metabolite isolated from the Sumatran lichen, Stereocaulon halei. It has a role as a radical scavenger and a lichen metabolite. It is an aromatic ether, a member of phenols, a member of benzoic acids and a member of 2-benzofurans.
The molecule CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(=O)C2=CC(=CC=C2)C(F)(F)F)NC(=O)[C@H](CC(=O)O)NC(=O)C is a mimotope of the pyruvate dehydrogenase E2 component (PDC-E2) comprising a 3-(trifluoromethyl)benzoyl group linked to the lipoated PDC-E2 core dodecapeptide (DKATIGFEVQEE) at N-6 of lysine. It has a role as a mimotope. It is a polypeptide and a lipopeptide.
The molecule Cl.CN(C)CC(=O)NC1=CC2=C(NC(=O)C3=CC=CC=C23)C=C1 Cl.CN(C)CC(=O)NC1=CC2=C(NC(=O)C3=CC=CC=C23)C=C1 is A hydrochloride salt prepared from equimolar amounts of PJ34 and hydrochloric acid. It has the role of antiatherosclerotic agent . It has the role of antineoplastic agent . It has the role of angiogenesis inhibitor . It has the role of EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor . It has the role of neuroprotective agent . It has the role of anti-inflammatory agent . It has the role of apoptosis inducer . It has the role of cardioprotective agent . It is also related to or classified as hydrochloride .
The molecule C[C@@H]1C=CN[C@H]1C(O)=O C[C@@H]1C=CN[C@H]1C(O)=O is A pyrroline consisting of 2-pyrroline having methyl and carboxy substituents at positions 4 and 5 respectively. It is also related to or classified as pyrroline  . It is also related to or classified as monocarboxylic acid .
The molecule C(CCCCO)CCC[C@H](CC(=O)O)O is a dihydroxy monocarboxylic acid that is 11-hydroxyundecanoic acid in which the pro-R hydrogen beta to the carboxy group is replaced by a hydroxy group. It is an omega-hydroxy fatty acid, a dihydroxy monocarboxylic acid, a medium-chain fatty acid and a (3R)-3-hydroxy fatty acid. It derives from an 11-hydroxyundecanoic acid.
The molecule O1C(C(O)C(=O)C=2C1=CC(OC)=CC2O)C3=CC(O)=C(OC)C=C3 O1C(C(O)C(=O)C=2C1=CC(OC)=CC2O)C3=CC(O)=C(OC)C=C3 is 3,3',5-Trihydroxy-4',7-dimethoxyflavanone. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2[C@H]([C@H](OC([C@@H]2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)C)O)CO)O)CO)O)O is an amino trisaccharide that is D-galactopyranose in which the hydroxy groups at positions 2 and 3 have each been converted into the corresponding 2-acetamido-2-deoxy-beta-D-glucopyranosyl derivative. It is an oligosaccharide, an amino trisaccharide and a member of acetamides. It derives from a beta-D-GlcpNAc-(1->3)-D-Galp.
The molecule O=C1OCC2=C[C@H]3OC([C@@]4([C@H]3[C@@](C2=C1)([C@H](O)C=C4)C)C)=O O=C1OCC2=C[C@H]3OC([C@@]4([C@H]3[C@@](C2=C1)([C@H](O)C=C4)C)C)=O is Asperolide A. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule O(C(=O)C(=NOC)C(OC)=O)C O(C(=O)C(=NOC)C(OC)=O)C is Propanedioic acid, (methoxyimino)-, dimethyl ester. It is also related to or classified as dicarboxylic acid .
The molecule O(C(=O)CCCCC)[C@@H](CO)COC(=O)CCCCC O(C(=O)CCCCC)[C@@H](CO)COC(=O)CCCCC is A 1,2-diacyl-sn-glycerol in which both acyl groups are specified as hexanoyl. Its functional parent is hexanoic acid . It is also related to or classified as 1,2-dihexanoylglycerol  . It is also related to or classified as 1,2-diacyl-sn-glycerol  .
The molecule C1=CC=C(C(=C1)C=O)C=O is a dialdehyde in which two formyl groups are attached to adjacent carbon centres on a benzene ring. It has a role as an epitope. It is a dialdehyde and a member of benzaldehydes.
The molecule CCCCC/C=C\\CC1C(O1)CCCCCCCC(=O)O is an EpOME obtained by formal epoxidation of the 9,10-double bond of octadeca-9,12-dienoic acid (the 12Z-geoisomer). It is a conjugate acid of a 9(10)-EpOME(1-).
The molecule C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)OC(O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1[NH2+][C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)OC(O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1[NH2+][C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O is an organic cation obtained by protonation of the secondary amino group of acarbose; major species at pH 7.3. It is a conjugate acid of acarbose . It is also related to or classified as organic cation , ammonium ion derivative .
The molecule [Ac] [Ac] is actinium atom. It is also related to or classified as actinoid atom  . It is also related to or classified as scandium group element atom , f-block element atom .
The molecule [H]C(=O)[C@H](O)C[C@H](O)[C@@H](C)O [H]C(=O)[C@H](O)C[C@H](O)[C@@H](C)O is an aldehydo-paratose that has D-configuration. It is also related to or classified as D-paratose , aldehydo-paratose .
The molecule COC(=O)C1=CO[C@@H](C)[C@@H]2C[n+]3ccc4c([n-]c5cc(OC)c(OC)cc45)c3C[C@H]12 COC(=O)C1=CO[C@@H](C)[C@@H]2C[n+]3ccc4c([n-]c5cc(OC)c(OC)cc45)c3C[C@H]12 is Bleekerine. It is also related to or classified as methyl ester  . It is also related to or classified as beta-carbolines .
The molecule C[C@H]1C/C=C/[C@H]2[C@H]3[C@](O3)([C@H]([C@@H]4[C@@]2(C(=O)C[C@@H]5[C@@H]1C(=C(C5=O)O)C)C(=O)N[C@H]4CC6=CNC7=CC=CC=C76)C)C is a cytochalasan alkaloid found in Chaetomium globosum. It has a role as a Chaetomium metabolite. It is a cytochalasan alkaloid, a member of indoles and a macrocycle.
The molecule O1C(C(O)C(=O)C=2C1=CC(OC)=CC2O)C3=C(O)C=CC(OC)=C3 O1C(C(O)C(=O)C=2C1=CC(OC)=CC2O)C3=C(O)C=CC(OC)=C3 is 2',3,5-Trihydroxy-5',7-dimethoxyflavanone. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule C=12C=CC(=CC1C(=CC(O2)=O)O)Cl C=12C=CC(=CC1C(=CC(O2)=O)O)Cl is A hydroxycoumarin that is coumarin in which a hydroxy group replaces the hydrogen at position 4 and a chloro substituent replaces the hydrogen at position 6. It is also related to or classified as organochlorine compound  . It is also related to or classified as hydroxycoumarin .
The molecule O=C1C2=C(O)C=C(OC)C=C2C(=O)[C@@]3([C@]1(O)[C@H](O[C@@H](C3)CC(=O)N)CCC)O O=C1C2=C(O)C=C(OC)C=C2C(=O)[C@@]3([C@]1(O)[C@H](O[C@@H](C3)CC(=O)N)CCC)O is Hypogeamicin C. It is also related to or classified as glycoside  . It is also related to or classified as benzochromenone .
The molecule OC[C@H](OC(CCCCCCC/C=C\C[C@H](CCCCCC)O)=O)COC(CCCCCCC\C=C\C[C@@H](O)CCCCCC)=O OC[C@H](OC(CCCCCCC/C=C\C[C@H](CCCCCC)O)=O)COC(CCCCCCC\C=C\C[C@@H](O)CCCCCC)=O is A 1,2-diacyl-sn-glycerol in which the 1- and 2-acyl groups are specified as 12-hydroxy-(9Z)-octadecenoyl. It is also related to or classified as 1,2-diacyl-sn-glycerol  .
The molecule C1C=C(OC1=O)CC(=O)[O-] is a monocarboxylic acid anion that is the conjugate base of 5-oxo-4,5-dihydro-2-furylacetic acid. It has a role as a bacterial metabolite. It is a conjugate base of a 5-oxo-4,5-dihydro-2-furylacetic acid.
The molecule CC1=C(C=C(OC1=O)/C=C/C(=C/C(=C/C2=CC=CC=C2)/C)/C)OC is a member of the class of 2-pyranones that is 2H-pyran-2-one substituted by a methoxy group at position 4,a methyl group at position 3 and a 3,5-dimethyl-6-phenylhexa-1,3,5-trien-1-yl group at position 6 (the 1E,3E,5E stereoisomer). It has been isolated from an endophytic fungus Aspergillus niger. It has a role as an Aspergillus metabolite.
The molecule [NH3+]C(Cc1c[nH]c2ccccc12)C([O-])=O [NH3+]C(Cc1c[nH]c2ccccc12)C([O-])=O 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 also related to or classified as amino-acid zwitterion .
The molecule CC(CN)C1=CC=CC=C1 CC(CN)C1=CC=CC=C1 is A phenylalkylamine that is propan-1-amine substituted by a phenyl group at position 2. It is classified as a doping agent by the World Anti-Doping Agency. It has the role of antihypotensive agent .  It is also related to or classified as phenylalkylamine  . It is also related to or classified as benzenes .
The molecule O1[C@]23[C@]4([C@@]5([C@H]([C@@]2([C@@](CC=C3)(C1=O)C)[H])C(O)=O)C[C@@]([C@@H](O)C4)(C(C5)=C)[H])[H] O1[C@]23[C@]4([C@@]5([C@H]([C@@]2([C@@](CC=C3)(C1=O)C)[H])C(O)=O)C[C@@]([C@@H](O)C4)(C(C5)=C)[H])[H] is Gibberellin A121. It is also related to or classified as C19-gibberellin , gibberellin monocarboxylic acid .
The molecule C1C2=NN=CN2C3=C(C=C(C=C3)Cl)C(=N1)C4=CC=CC=C4 is a triazolo[4,3-a][1,4]benzodiazepine having a phenyl group at position 6 and a chloro substituent at position 8. A short-acting benzodiazepine with general properties similar to diazepam, it is given by mouth as a hypnotic in the short-term management of insomnia. It has a role as an anxiolytic drug, an anticonvulsant and a GABA modulator. It is a member of triazoles and a triazolobenzodiazepine.
The molecule N[C@@H]1CN(CC11CC1)c1c(F)cc2c(c1Cl)n(cc(C(O)=O)c2=O)[C@@H]1C[C@@H]1F N[C@@H]1CN(CC11CC1)c1c(F)cc2c(c1Cl)n(cc(C(O)=O)c2=O)[C@@H]1C[C@@H]1F is Sitafloxacin. It is also related to or classified as quinolines , quinolone antibiotic , fluoroquinolone antibiotic .
The molecule NC1=NC=NC2=C1N=CN2[C@@H]3O[C@H](COP(=O)(O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](C[C@@H]5N)N)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)N)O)O)[C@@H]([C@H]4O)O)CN)O)[C@@H](O)[C@H]3O NC1=NC=NC2=C1N=CN2[C@@H]3O[C@H](COP(=O)(O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](C[C@@H]5N)N)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)N)O)O)[C@@H]([C@H]4O)O)CN)O)[C@@H](O)[C@H]3O is A aminoglycoside phosphate obtained by formal condensation of the phosphate group of AMP with the 4'-hydroxy group of kanamycin A. Its functional parent is adenosine 5'-monophosphate . Its functional parent is kanamycin A . It is also related to or classified as aminoglycoside phosphate , adenosine 5'-phosphate .
The molecule O=C1OC2=C(C=CC(=C2C)O[C@H]3O[C@@H]([C@@H](OC)[C@@H]([C@@H]3O)OC(=O)N)C)C(=C1NC(=O)C4=CC(=C(O)C=C4)CC=C(C)C)O O=C1OC2=C(C=CC(=C2C)O[C@H]3O[C@@H]([C@@H](OC)[C@@H]([C@@H]3O)OC(=O)N)C)C(=C1NC(=O)C4=CC(=C(O)C=C4)CC=C(C)C)O is TPU-0031-B.  It is also related to or classified as glycoside  . It is also related to or classified as coumarins .
The molecule C=1C2=C(C=CC1)SC(=C2)C(=O)N[C@@H](CC(C)C)C(=O)N3CCN(CC3)C(=O)[C@H](CO)NS(C=4C=CC(=CC4Cl)Cl)(=O)=O C=1C2=C(C=CC1)SC(=C2)C(=O)N[C@@H](CC(C)C)C(=O)N3CCN(CC3)C(=O)[C@H](CO)NS(C=4C=CC(=CC4Cl)Cl)(=O)=O is A tertiary carboxamide that is piperazine in which one of the amino groups has undergone condensation with the carboxy group of N-[(2,4-dichlorophenyl)sulfonyl]-L-serine, while the other has undergone condensation with the carboxy group of N-(1-benzothiophen-2-ylcarbonyl)-L-leucine. It is a cell-permeable, potent and selective agonist of the TRPV4 (transient receptor potential vanilloid 4) channel. It has the role of TRPV4 agonist . It is also related to or classified as tertiary carboxamide  . It is also related to or classified as dichlorobenzene  . It is also related to or classified as aromatic primary alcohol  . It is also related to or classified as sulfonamide  . It is also related to or classified as 1-benzothiophenes , N-acylpiperazine .
The molecule C[NH+]1[C@@H]2CC[C@H]1CC(C2)OC(C3=CC=CC=C3)C4=CC=CC=C4.CS(=O)(=O)[O-] is the methanesulfonate salt of benzatropine. An acetylcholine receptor antagonist, it is used in the treatment of Parkinson's disease, and to reduce parkinsonism and akathisia side effects of antipsychotic treatments. It has a role as an antiparkinson drug, a parasympatholytic and an anticoronaviral agent. It contains a benzatropine.
The molecule [H][Te+][H] [H][Te+][H] is dihydridotellurium(.1+). It is also related to or classified as tellurium hydride , inorganic radical cation .
The molecule P(/C=C/C[NH2+]C)(O)([O-])=O P(/C=C/C[NH2+]C)(O)([O-])=O is major species at pH 7.3. It is also related to or classified as zwitterion  .
The molecule OCCCCCCO OCCCCCCO is A diol that is hexane substituted by hydroxy groups at positions 1 and 6. It is also related to or classified as primary alcohol  . It is also related to or classified as diol  .
The molecule O=C(C1=CC=C2N=C(C3=CC=CC=C3O)NC2=C1)NOCC=C O=C(C1=CC=C2N=C(C3=CC=CC=C3O)NC2=C1)NOCC=C is x5050 is a REST inhibitor. It is also related to or classified as organic molecular entity .
The molecule C(CCCCCCO)CCCCCC(=O)O is an omega-hydroxy-long-chain fatty acid that is tridecanoic acid in which one of the hydrogens of the terminal methyl group is replaced by a hydroxy group. It is a straight-chain saturated fatty acid and an omega-hydroxy-long-chain fatty acid. It derives from a tridecanoic acid.
The molecule C(Nc1ncnc2[nH]cnc12)c1ccccc1 C(Nc1ncnc2[nH]cnc12)c1ccccc1 is A member of the class of 6-aminopurines that is adenine in which one of the hydrogens of the amino group is replaced by a benzyl group. It has the role of cytokinin . It has the role of plant metabolite . Its functional parent is adenine . It is also related to or classified as 6-aminopurines  .
The molecule O1C(C(O)C(=O)C2=C1C=C(O)C(OC)=C2O)C3=CC=C(OC)C=C3 O1C(C(O)C(=O)C2=C1C=C(O)C(OC)=C2O)C3=CC=C(OC)C=C3 is 3,5,7-Trihydroxy-4',6-dimethoxyflavanone. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule O(C[C@H]1O[C@@H]([N+]2=CC3=C4C(=C2)C(=[S+][Ni-]4SC3=O)O)[C@@H]([C@@H]1O)O)P(O)(=O)O O(C[C@H]1O[C@@H]([N+]2=CC3=C4C(=C2)C(=[S+][Ni-]4SC3=O)O)[C@@H]([C@@H]1O)O)P(O)(=O)O is A nickel coordination entity obtained by complexation of nickel(II) with pyridinium-3,5-bisthiocarboxylic acid mononucleotide. It has the role of cofactor . Its functional parent is nicotinic acid D-ribonucleotide . It is a conjugate acid of Ni(II)-pyridinium-3,5-bisthiocarboxylate mononucleotide(1-) . It is also related to or classified as nucleoside 5'-monophosphate  . It is also related to or classified as nickel coordination entity , pyridine nucleotide .
The molecule O=C(OC)C12OC1C=CC=C2 O=C(OC)C12OC1C=CC=C2 is 1-carbomethoxybenzene 1,2-oxide. It is also related to or classified as epoxide  . It is also related to or classified as carboxylic acid  .
The molecule N([C@@H](CCCNC(N)=[NH2+])B(O)O)C(=O)[C@@H]1CCCN1C([C@@H](CC2=CC=CC=C2)NC(C)=O)=O N([C@@H](CCCNC(N)=[NH2+])B(O)O)C(=O)[C@@H]1CCCN1C([C@@H](CC2=CC=CC=C2)NC(C)=O)=O is A guanidinium ion resulting from the protonation of the guanidino group of Ac-(D)Phe-Pro-boroArg-OH. The major species at pH 7.3. It is a conjugate acid of Ac-(D)Phe-Pro-boroArg-OH . It is also related to or classified as guanidinium ion  .
The molecule COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C(=C(C(=C3O2)[C@@H]4[C@@H]([C@H]([C@H](CO4)O)O)O)O)[C@H]5[C@@H]([C@H]([C@H](CO5)O)O)O)O)O is a flavone C-glycoside that consists of chrysoeriol carrying alpha-L-arabinosyl and beta-L-arabinosyl groups at positions 6 and 8 respectively It has a role as a plant metabolite. It is a trihydroxyflavone, a polyphenol, a monomethoxyflavone and a flavone C-glycoside. It derives from a 4',5,7-trihydroxy-3'-methoxyflavone.
The molecule CC1=CC(=O)[C@H]([C@]2([C@H]1C[C@@H]3[C@]45[C@@H]2[C@H]([C@@H]([C@]([C@@H]4[C@H](C(=O)O3)OC(=O)CC(C)C)(OC5)C(=O)OC)O)O)C)O is a quassinoid consisting of a heteropentacyclic skeleton containing a delta-lactone moiety which is substituted at the alpha-carbon by a 3-methylbutanoyloxy group. It has a role as a metabolite and an antineoplastic agent. It is a delta-lactone, a cyclic ether, an enoate ester, an enone, an organic heteropentacyclic compound, a quassinoid, a triol, a methyl ester and a secondary alpha-hydroxy ketone.
The molecule O=C1C(CNC(C2=C3C=NN(C(C)C)C3=CC(C4=CN=C(N5CCN(C(C)C)CC5)C=C4)=C2)=O)=C(CCC)C=C(C)N1 O=C1C(CNC(C2=C3C=NN(C(C)C)C3=CC(C4=CN=C(N5CCN(C(C)C)CC5)C=C4)=C2)=O)=C(CCC)C=C(C)N1 is uNC1999 is a SAM-competitive, potent and selective inhibitor of EZH2/1. It is also related to or classified as organic molecular entity .
The molecule C1=CC=CC2=C1NC=3C=CC=CC3N2 C1=CC=CC2=C1NC=3C=CC=CC3N2 is A member of the class of phenazines obtained by hydrogenation of the 5 and 10 positions of phenazine. It has the role of bacterial xenobiotic metabolite . It is also related to or classified as phenazines .
The molecule C[C@]12C[C@@H](C[C@H](O1)C3=C(O2)C=C4C(=C3O)C(=O)C5=C(O4)C=CC=C5OC)O is a bridged organic heteropentacyclic compund that is 3,4,5,6-tetrahydro-2H,8H-2,6-epoxyoxocino[3,2-b]xanthen-8-one substituted by hydroxy groups at positions 4 and 7, a methoxy group at position 9 and a methyl group at position 2 (the 2S,4R,6S stereoisomer). It is isolated from the marine derived fungus Chaetomium and has antiprotozoal activity. It has a role as a metabolite and an antiprotozoal drug. It is a member of phenols, an organic heteropentacyclic compound, a cyclic ketone, a bridged compound and a cyclic ketal.
The molecule [NH3+][C@@H](CCCC([O-])=O)C([O-])=O [NH3+][C@@H](CCCC([O-])=O)C([O-])=O is conjugate base of L-2-aminoadipic acid. It has the role of Saccharomyces cerevisiae metabolite . It has the role of human metabolite . It is a conjugate acid of L-2-aminoadipate(2-) . It is also related to or classified as alpha-amino-acid anion .
The molecule O(C[C@H]1O[C@@H]([N+]2=CC(=CC(=C2)C(S)=O)C(S)=O)[C@@H]([C@@H]1O)O)P(O)(=O)O O(C[C@H]1O[C@@H]([N+]2=CC(=CC(=C2)C(S)=O)C(S)=O)[C@@H]([C@@H]1O)O)P(O)(=O)O is A pyridine nucleotide having pyridinium-3,5-bisthiocarboxylic acid as the nucleobase. Its functional parent is nicotinic acid D-ribonucleotide . It is a conjugate acid of pyridinium-3,5-bisthiocarboxylate mononucleotide(3-) . It is also related to or classified as nucleoside 5'-monophosphate  . It is also related to or classified as monothiocarboxylic acid , pyridine nucleotide .
The molecule O=C1O[C@]2(OC)[C@](O)(C3=C(C(O)=C(CC)C(=C3)OC)C(C2)=O)C[C@H]1O O=C1O[C@]2(OC)[C@](O)(C3=C(C(O)=C(CC)C(=C3)OC)C(C2)=O)C[C@H]1O is Perenniporide D. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule N[C@@H](Cc1cccc(Cl)c1)C(O)=O N[C@@H](Cc1cccc(Cl)c1)C(O)=O is A non-proteinogenic L-alpha-amino acid that is L-phenylalanine in which one of the meta-hydrogens of the phenyl group has been replaced by a chlorine. It is also related to or classified as chloroamino acid , monochlorobenzenes , non-proteinogenic L-alpha-amino acid , L-phenylalanine derivative .
The molecule C1(=CNC2=C1C=CC(=C2)Cl)CC(C(=O)O)N C1(=CNC2=C1C=CC(=C2)Cl)CC(C(=O)O)N is A tryptophan derivative that is tryptophan in which the hydrogen at position 6 of the indole ring has been replaced by a chlorine.  It is also related to or classified as organochlorine compound  . It is also related to or classified as tryptophan derivative , non-proteinogenic alpha-amino acid .