anonymous041/ChEBI-Augmented huggingface dataset:
The molecule ClC1=CC(CNC2=NC3=CC=CC=C3NC22CCNCC2)=CC=C1 ClC1=CC(CNC2=NC3=CC=CC=C3NC22CCNCC2)=CC=C1 is an azaspiro compound that is 1'H-spiro[piperidine-4,2'-quinoxaline] in which the hydrogen at position 3' is replaced by a (3-chlorobenzyl)amino group. It is a potent inhibitor of ferroptosis. It has the role of ferroptosis inhibitor . It has the role of antioxidant . It has the role of radical scavenger . It has the role of cardioprotective agent . It is also related to or classified as organic heterotricyclic compound , azaspiro compound , secondary amino compound , monochlorobenzenes .
The molecule N1(CC2=C(CC1)NC=3C=CC(=CC23)F)CCCC4=CN=CC=C4.Cl N1(CC2=C(CC1)NC=3C=CC(=CC23)F)CCCC4=CN=CC=C4.Cl is A hydrochloride salt resulting from the reaction of equimolar amounts of gevotroline and hydrogen chloride. It has the role of dopamine receptor D2 antagonist . It has the role of antipsychotic agent . It is also related to or classified as hydrochloride .
The molecule O[C@H](C1=CC(O)=C(O)C=C1)CNC.O[C@H]([C@@H](O)C(O)=O)C(O)=O O[C@H](C1=CC(O)=C(O)C=C1)CNC.O[C@H]([C@@H](O)C(O)=O)C(O)=O is epinephrine Bitartrate is the bitartrate salt form of epinephrine, a direct-acting sympathomimetic amine with bronchodilator and vasoconstricting activity. It is also related to or classified as benzenediols .
The molecule C=1C(C(=NC(C1Cl)=O)Cl)=O C=1C(C(=NC(C1Cl)=O)Cl)=O is A pyridone that is pyridine-2,5-dione which is substituted at positions 3 and 6 by chloro groups. It is a metabolite of the agrochemical, chlorpyrifos. It is also related to or classified as pyridone , chloropyridine .
The molecule CC1=NN(C(=C1C(=O)NC2=CC=CC=C2C(C)CC(C)C)F)C is an aromatic amide obtained by formal condensation of the carboxy group of 5-fluoro-1,3-dimethylpyrazole-4-carboxylic acid with the amino group of 2-(4-methylpentan-2-yl)aniline. It is an aromatic amide, an organofluorine compound and a member of pyrazoles.
The molecule C1SC2=CC=CC=C2C2=C1C1=C(N2)C=CC=C1 C1SC2=CC=CC=C2C2=C1C1=C(N2)C=CC=C1 is an organic heterotetracyclic compound that is 1H-indole which is ortho-fused to a 2H-1-benzothiopyran group at positions 2-3. It is an inhibitor of 15-lipoxygenase that limits atherosclerotic lesion development in rabbits. It has the role of ferroptosis inhibitor . It has the role of antiatherogenic agent . It has the role of EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor . It is also related to or classified as organonitrogen heterocyclic compound , organosulfur heterocyclic compound , organic heterotetracyclic compound .
The molecule CCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CC[C@@H](C(C)C)O)C)C is a sterol ester that is the 3-hexanoyl derivative of (24S)-24-hydroxycholesterol. It is a (24S)-24-hydroxycholesterol ester and a hexanoate ester.
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)CCC[N+](C)(C)C)O is an acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 4-trimethylammoniobutanoic acid. It is an acyl-CoA and a quaternary ammonium ion. It derives from a coenzyme A and a 4-(trimethylammonio)butanoic acid. It is a conjugate acid of a gamma-butyrobetainyl-CoA(3-).
The molecule O(C1N(C(=O)C(O)C(C1C2=CC=CC=C2)C3=CC=CC=C3)C)C O(C1N(C(=O)C(O)C(C1C2=CC=CC=C2)C3=CC=CC=C3)C)C is A member of the class of piperidones that is 1-methylpiperidin-2-one in which a hydrogen at positions 3,4,5 and 6 has been replaced by hydroxy, phenyl, phenyl and methoxy groups, respectively. It has the role of plant metabolite . It is also related to or classified as secondary alcohol  .  It is also related to or classified as delta-lactam  . It is also related to or classified as piperidones .
The molecule COC(=O)NC1=NC2=C(N1)C=C(C=C2)SCCCO is a member of the class of benzimidazoles that is albendazole in which one of the terminal methyl hydrogens on the propyl group has been replaced by a hydroxy group. It has a role as a drug metabolite. It is a member of benzimidazoles, a carbamate ester, an aryl sulfide and a primary alcohol. It derives from an albendazole.
The molecule OC(Cc1c[nH]c2ccccc12)C(O)=O OC(Cc1c[nH]c2ccccc12)C(O)=O is A hydroxy monocarboxylic acid that is lactic acid substituted by a 1H-indol-3-yl group at position 3. It is a metabolite of tryptophan. It has the role of human metabolite . Its functional parent is rac-lactic acid . It is a conjugate acid of 3-(indol-3-yl)lactate . It is also related to or classified as indol-3-yl carboxylic acid , hydroxy monocarboxylic acid .
The molecule C=1C(C(=NC(C1O)=O)Cl)=O C=1C(C(=NC(C1O)=O)Cl)=O is A monochloropyridine that is 2,5-dioxo-2,5-dihydropyridine which is substituted at positions 3 and 6 by a hydroxy group and a chlorine, respectively. It is a conjugate acid of 6-chloro-2,5-dioxo-2,5-dihydropyridin-3-olate . It is also related to or classified as enol  .   It is also related to or classified as monochloropyridine  . It is also related to or classified as monohydroxypyridine , pyridone .
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)C(=O)CCC(F)(F)F 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)C(=O)CCC(F)(F)F is N-[[(3R,9R,10S)-16-(benzenesulfonamido)-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]-4,4,4-trifluoro-N-methylbutanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule O(C1C(O)C(O)C(OC1OC=2C=C3OC(CC(=O)C3=C(O)C2)C4=CC=C(O)C=C4)COC5OC(C(O)C(O)C5O)C)C6OC(C(O)C(O)C6O)C O(C1C(O)C(O)C(OC1OC=2C=C3OC(CC(=O)C3=C(O)C2)C4=CC=C(O)C=C4)COC5OC(C(O)C(O)C5O)C)C6OC(C(O)C(O)C6O)C is Naringin 6''-rhamnoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule N[C@@H](Cc1ccc(O)cc1)C(N)=O N[C@@H](Cc1ccc(O)cc1)C(N)=O is an amino acid amide that is L-tyrosine in which the carboxy OH group is replaced by NH2. It is also related to or classified as amino acid amide , L-tyrosine derivative .
The molecule O1CC=2C(C(C=3C1=CC=CC3)=C(CCNC)[H])=CC=CC2 O1CC=2C(C(C=3C1=CC=CC3)=C(CCNC)[H])=CC=CC2 is A dibenzooxepine resulting from the demethylation of the antidepressant doxepin. It is the active metabolite of doxepin. It has the role of antidepressant . It has the role of drug metabolite . It is also related to or classified as cyclic ether , dibenzooxepine , secondary amino compound .
The molecule C=1C(C(=NC(C1[O-])=O)Cl)=O C=1C(C(=NC(C1[O-])=O)Cl)=O is an enolate anion resulting from the deprotonation of the hydroxy group of 6-chloro-3-hydroxypyridine-2,5-dione. The major species at pH 7.3. It is also related to or classified as enolate  .
The molecule CC(C)CCCCCCCCCC(CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(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-])O)O is an 3-hydroxy fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate OH groups of 3-hydroxyisopentadecanoyl-CoA; the major species at pH 7.3. It is a 3-hydroxy fatty acyl-CoA(4-) and an 11,12-saturated fatty acyl-CoA(4-). It is a conjugate base of a 3-hydroxyisopentadecanoyl-CoA.
The molecule N[C@@H](Cc1nc[nH]c1I)C(O)=O N[C@@H](Cc1nc[nH]c1I)C(O)=O is an iodoamino acid that is L-histidine derivative in which the imidazole ring is substituted by iodine at position 5. It is also related to or classified as iodoamino acid , non-proteinogenic L-alpha-amino acid , L-histidine derivative .
The molecule C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CCCCC3)O[C@@H]1CN(C)C(=O)C4=CC=C(C=C4)F)[C@@H](C)CO C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CCCCC3)O[C@@H]1CN(C)C(=O)C4=CC=C(C=C4)F)[C@@H](C)CO is N-[[(4R,5S)-8-(1-cyclohexenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-4-fluoro-N-methylbenzamide. It is also related to or classified as organohalogen compound  . It is also related to or classified as carbonyl compound .
The molecule O=CC1=C(O)C=CC(=C1/C=C/CCCCC)OC O=CC1=C(O)C=CC(=C1/C=C/CCCCC)OC is Eutyscoparol C. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule CCC1=NC=C(C)N=C1 CCC1=NC=C(C)N=C1 is A member of the class of pyrazines that is pyrazine with an ethyl group at position 2 and a methyl group at position 5 or vice versa. Found in tea, soybean paste, chocolate and sesame seed oil. It has the role of flavouring agent . It has the role of Maillard reaction product . It is also related to or classified as volatile organic compound , pyrazines .
The molecule C=1C(C(=NC(C1O)=O)O)=O C=1C(C(=NC(C1O)=O)O)=O is A pyridone that is pyridine-2,5-dione which is substituted at positions 3 and 6 by hydroxy groups. A metabolite of the agrochemical, chlorpyrifos. It has the role of bacterial xenobiotic metabolite . It is a conjugate acid of 3,6-dihydroxypyridine-2,5-dione(1-) .  It is also related to or classified as enol  . It is also related to or classified as hydroxypyridine , pyridone .
The molecule CCCCCC/C=C/CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(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-])O is an octadecenoyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (11E)-octadecenoyl-CoA. It is an (11E)-Delta(11)-fatty acyl-CoA(4-) and an octadecenoyl-CoA(4-). It is a conjugate base of an (11E)-octadecenoyl-CoA.
The molecule [H][C@]12CC=CN1C(=O)C2 [H][C@]12CC=CN1C(=O)C2 is an organic heterobicyclic compound that consists of (5R)-1-azabicyclo[3.2.0]hept-2-ene bearing a 7-keto substituent. The parent of the class of carbapenems. It is also related to or classified as carbapenems  .
The molecule CC(C)C[C@H](NC(=O)OC(C)(C)C)\C=C\[C@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(=O)OCC1=CC=CC=C1)C(=O)NC1CC(C)(C)N([O])C(C)(C)C1 CC(C)C[C@H](NC(=O)OC(C)(C)C)\C=C\[C@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(=O)OCC1=CC=CC=C1)C(=O)NC1CC(C)(C)N([O])C(C)(C)C1 is A peptidomimetic that is an inhibitor of ferroptosis and prevents the onset of motor decline in a mouse model for Huntington's disease. It has the role of ferroptosis inhibitor . It has the role of radical scavenger . It has the role of peptidomimetic . It has the role of radiation protective agent . It is also related to or classified as secondary carboxamide  . It is also related to or classified as tert-butyl ester  . It is also related to or classified as L-ornithine derivative , carbamate ester , piperidines , aminoxyls , olefinic compound , L-valine derivative , L-proline derivative , benzyl ester .
The molecule C=12C=C(C(=C3C(C(=CC([C@@H]([C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@H]([C@H](C=CC=C(C(NC(=CC(C13)=O)C2=O)=O)C)C)O)C)O)C)O)C)O)CO)C)=O)O)C C=12C=C(C(=C3C(C(=CC([C@@H]([C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@H]([C@H](C=CC=C(C(NC(=CC(C13)=O)C2=O)=O)C)C)O)C)O)C)O)C)O)CO)C)=O)O)C is (7Z,10S,11SS,12R,13S,14R,15R,16S,17S,18E,20Z)-4,10,12,14,16-Pentahydroxy-9-(hydroxymethyl)-3,7,11,13,15,17,21-heptamethyl-23-azatricyclo[22.3.1.0~5,27~]octacosa-1(27),2,4,7,18,20,24-heptaene-6,22,26,28-tetrone.  It is also related to or classified as polyketide  . It is also related to or classified as macrocycle  . It is also related to or classified as p-quinones .
The molecule C=1C(C(=NC(C1O)=O)[O-])=O C=1C(C(=NC(C1O)=O)[O-])=O is an organic anion that is the conjugate base of 3,6-dihydroxypyridine-2,5-dione, obtained by selective deprotonation of the hydroxy group at positions 2. It is also related to or classified as organic anion .
The molecule CCC1=C(C(OC2=C1C=CC(=C2COC(=O)C)OC(=O)C)(C)C)C3=CC=C(C=C3)OC is a member of the class of chromenes that is 2H-1-benzopyran-8-methanol diacetate substituted by methyl groups at positions 2 and 2, an ethyl group at position 4 and a 4-methoxyphenyl group at position 3 respectively. It is a member of chromenes, an acetate ester, a monomethoxybenzene and a diester.
The molecule O=C1N2[C@H](OC)CC[C@H]2C(=O)N[C@H]1CC(C)C O=C1N2[C@H](OC)CC[C@H]2C(=O)N[C@H]1CC(C)C is Methylcordysinin A. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C1CC=C(C1)C2=CC=C(C=C2)[C@@H]3[C@H]4CN(CC(=O)N4[C@H]3CO)C(=O)CC5=CN=CC=C5 C1CC=C(C1)C2=CC=C(C=C2)[C@@H]3[C@H]4CN(CC(=O)N4[C@H]3CO)C(=O)CC5=CN=CC=C5 is (6S,7R,8R)-7-[4-(1-cyclopentenyl)phenyl]-8-(hydroxymethyl)-4-[1-oxo-2-(3-pyridinyl)ethyl]-1,4-diazabicyclo[4.2.0]octan-2-one. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule O(C1=C2C=C(CCCCC(=O)CCC3=CC2=C(O)C=C3)C(O)=C1OC)C O(C1=C2C=C(CCCCC(=O)CCC3=CC2=C(O)C=C3)C(O)=C1OC)C is A cyclic ketone isolated from the bark of Morella species and has been shown to exhibit cytotoxic activity against cancer cells. It has the role of antineoplastic agent . It has the role of plant metabolite . It is also related to or classified as phenols  . It is also related to or classified as cyclic ketone , methoxybenzenes , diarylheptanoid , aromatic ether .
The molecule [H][C@]12CN([C@H](C(=O)N[C@@H](CCCC)C(=O)C(=O)NC3CC3)[C@@]1([H])C2(C)C)C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(C)(C)C [H][C@]12CN([C@H](C(=O)N[C@@H](CCCC)C(=O)C(=O)NC3CC3)[C@@]1([H])C2(C)C)C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(C)(C)C is an azabicyclohexane that is (1R,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane substituted by [(3S)-1-(cyclopropylamino)-1,2-dioxoheptan-3-yl]aminoacyl and N-({1-[(tert-butylsulfonyl)methyl]cyclohexyl}carbamoyl)-3-methyl-L-valyl groups at positions 2S and 3, respectively. It is a hepatitis C virus (HCV) NS3/4A serine protease inhibitor (Ki = 6 nM) that is used for the treatment of chronic hepatitis C. It has the role of EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor . It has the role of anticoronaviral agent . It has the role of antiviral drug . It has the role of hepatitis C protease inhibitor . It is also related to or classified as secondary carboxamide  . It is also related to or classified as tertiary carboxamide  .  It is also related to or classified as sulfone  . It is also related to or classified as azabicyclohexane , pyrrolidinecarboxamide , ureas , cyclopropanes .
The molecule C=1C(=C(N=C(C1O)O)Cl)O C=1C(=C(N=C(C1O)O)Cl)O is A hydroxypyridine that is pyridine substituted by hydroxy groups at positions 2,3 and 5 and a chloro group at position 6. It is a metabolite of the agrochemical chlorpyrifos. It has the role of bacterial xenobiotic metabolite . It is also related to or classified as hydroxypyridine , chloropyridine .
The molecule CC(=CCC1=C(OC2=C(C1=O)C(=CC(=C2C(C)(C)C=C)O)O)C3=C(C=C(C=C3)O)O)C is a tetrahydroxyflavone that is flavone substituted by hydroxy groups at positions 5, 7, 2' and 4', a prenyl group at position 3 and a 3-methylbut-1-en-3-yl group at position 8. It has been isolated from the twigs of Morus nigra and has been found to promote adipogenesis. It has a role as a metabolite and a plant metabolite.
The molecule OC(=O)c1ncccc1C([O-])=O OC(=O)c1ncccc1C([O-])=O is A quinolinate(1-) that is the tautomer of 3-carboxypyridine-2-carboxylate. It is also related to or classified as quinolinate(1-)  .
The molecule [NH3+]C[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]3O)[C@H]2O)[C@H]([NH3+])[C@@H](O)[C@@H]1O [NH3+]C[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]3O)[C@H]2O)[C@H]([NH3+])[C@@H](O)[C@@H]1O is an organic cation that is the pentacation of kanamycin B, obtained by protonation of the primary amino groups. It is a conjugate acid of kanamycin B . It is also related to or classified as organic cation , ammonium ion derivative .
The molecule C1(=CC=C(C=C1)CCCCCCCCCCC)S(O)(=O)=O C1(=CC=C(C=C1)CCCCCCCCCCC)S(O)(=O)=O is an arenesulfonic acid that is benzenesulfonic acid substituted by an undecyl group at position 4. It has the role of surfactant . It is also related to or classified as arenesulfonic acid .
The molecule C=1(N=C(C(=CC1Cl)[O-])Cl)O C=1(N=C(C(=CC1Cl)[O-])Cl)O is A organic anion that is the conjugate base of 3,6-dichloropyridine-2,5-diol, resulting from the deprotonation of the 5-hydroxy group. It is also related to or classified as organic anion .
The molecule C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)C(=O)O is a 1,4-benzodiazepinone in which the oxo group is at position 2, and which is substituted at positions 3, 5, and 7 by carboxy, phenyl and chloro groups, respectively. It has a role as a prodrug, an anticonvulsant, an anxiolytic drug and a GABA modulator. It is a conjugate acid of a clorazepic acid anion.
The molecule [H][C@]12CC[C@H](C)C[C@]1(C)C=C(C)[C@@H]([C@@H]2C(=O)C1=C\C(NC1=O)=C\C1=CC=C(O)C=C1)C(\C)=C\C(C)CC [H][C@]12CC[C@H](C)C[C@]1(C)C=C(C)[C@@H]([C@@H]2C(=O)C1=C\C(NC1=O)=C\C1=CC=C(O)C=C1)C(\C)=C\C(C)CC is an octahydronaphthalene with formula C32H41NO3. It is a fungal metabolite isolated from Talaromyces convolutus and is an inducer of ferroptosis in colorectal cancer cells. It has the role of ferroptosis inducer . It has the role of antineoplastic agent . It has the role of fungal metabolite .  It is also related to or classified as ketone  . It is also related to or classified as pyrroline  . It is also related to or classified as phenols  . It is also related to or classified as octahydronaphthalenes , olefinic compound .
The molecule OC[C@@H](O)[C@@H](O)[C@@H](O)C(O)=O OC[C@@H](O)[C@@H](O)[C@@H](O)C(O)=O is the D-enantiomer ribonic acid. It has the role of Daphnia magna metabolite . It is a conjugate acid of D-ribonate . It is also related to or classified as ribonic acid .
The molecule O=C1C2=C(OC(=C1)/C=C/C=C\C)O[C@@]3(CC[C@@]4([C@]5([C@H]3[C@H]2O)CO[C@@](C4(C)C)(O)CC5)O)C O=C1C2=C(OC(=C1)/C=C/C=C\C)O[C@@]3(CC[C@@]4([C@]5([C@H]3[C@H]2O)CO[C@@](C4(C)C)(O)CC5)O)C is Hebetaeltin A photoisomer C. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule O=C(N[C@H](C(=O)N[C@@H](CC(C)C)B(O)O)[C@H](O)C)C1=NC(C2=CC=CC=C2)=CC=C1 O=C(N[C@H](C(=O)N[C@@H](CC(C)C)B(O)O)[C@H](O)C)C1=NC(C2=CC=CC=C2)=CC=C1 is A C-terminal boronic acid peptide inhibitor which induces apoptosis in multiple myeloma, hematological and solid tumor cell lines. It has the role of antineoplastic agent . It has the role of proteasome inhibitor . It has the role of apoptosis inducer . Its functional parent is L-threonine .   It is also related to or classified as secondary alcohol  . It is also related to or classified as C-terminal boronic acid peptide , threonine derivative , phenylpyridine .
The molecule C=1C(=C(N=C(C1Cl)O)Cl)O C=1C(=C(N=C(C1Cl)O)Cl)O is A hydroxypyridine that is pyridine substituted by hydroxy groups at positions 2 and 5 and chloro groups at positions 3 and 6. It is a metabolite of the agrochemical chlorpyrifos. It has the role of bacterial xenobiotic metabolite . It is a conjugate acid of 3,6-dichloropyridine-2,5-diol(1-) . It is also related to or classified as hydroxypyridine , chloropyridine .
The molecule C1=C(C=C(C=C1C(=O)O)C(=O)[O-])C(=O)O is a tricarboxylic acid monoanion. It is a conjugate base of a benzene-1,3,5-tricarboxylic acid. It is a conjugate acid of a benzene-1,3,5-tricarboxylate(2-).
The molecule [C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)O)O)OC[C@@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)[NH3+] [C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)O)O)OC[C@@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)[NH3+] is alpha-D-galactosyl-D-galactosyl-D-glucosylsphingosine. Its functional parent is alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosylceramide . It is also related to or classified as glycosylsphingoid .
The molecule O1OC(CC1C2OOC(C2)/C=C/C)C(OO)CCCCCCCC(OC)=O O1OC(CC1C2OOC(C2)/C=C/C)C(OO)CCCCCCCC(OC)=O is methyl 9-hydroperoxy-9-{5'-[(1E)-1-propen-1-yl]-3,3'-bi-1,2-dioxol-5-yl}nonanoate. It is also related to or classified as ester  . It is also related to or classified as dioxolane .
The molecule CC1=C(C(=CC=C1)C)OCC(=O)N[C@@H](CC2=CC=CC=C2)[C@H](C[C@H](CC3=CC=CC=C3)NC(=O)[C@H](C(C)C)N4CCCNC4=O)O.CC(C)C1=NC(=CS1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)C[C@@H]([C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)O is a mixture containing lopinavir and ritonavir. It is a prescription medicine that is used with other antiretroviral medicines to treat Human Immunodeficiency Virus-1 (HIV-1) infection in adults and children 14 days of age and older. It has a role as an antiviral drug, a HIV protease inhibitor and an anticoronaviral agent. It contains a lopinavir and a ritonavir.
The molecule S=C(N1CCOCC1)C2=CC=C(C=C2)C#N S=C(N1CCOCC1)C2=CC=C(C=C2)C#N is 4-(morpholinocarbothioyl)benzonitrile. It is also related to or classified as nitrile  . It is also related to or classified as benzenes .
The molecule CN(C)CC(=O)N1[C@@H]([C@H](C12CN(C2)CC3=C(C=CC(=C3)F)F)C4=CC=CC=C4)CO CN(C)CC(=O)N1[C@@H]([C@H](C12CN(C2)CC3=C(C=CC(=C3)F)F)C4=CC=CC=C4)CO is 1-[(2S,3R)-6-[(2,5-difluorophenyl)methyl]-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-1-yl]-2-(dimethylamino)ethanone. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule C[C@@H]([C@H](P(=O)(O)O)S)O is a member of the class of phosphonic acids that is propylphosphonic acid substituted by thio and hydroxy groups at positions 1 and 2 respectively (the 1R,2S-stereoisomer) It is a member of phosphonic acids, a secondary alcohol and an alkanethiol. It is a conjugate acid of a [(1R,2S)-2-hydroxy-1-thiopropyl]phosphonate(2-).
The molecule CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCC/C=C\\CCCCCCCC is a phosphatidylethanolamine 36:2 obtained by transfer of a proton from the amino to the phosphate group of 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine.
The molecule [H][C@@]1(C2NC3=C(C=CC=C3)C2C[C@@H](N1C(=O)CCl)C(=O)OC)C1=CC=C(C=C1)C(=O)OC [H][C@@]1(C2NC3=C(C=CC=C3)C2C[C@@H](N1C(=O)CCl)C(=O)OC)C1=CC=C(C=C1)C(=O)OC is A beta-carboline that is 2,3,4,4a,9,9a-hexahydro-1H-beta-carboline in which the hydrogens at positions 1, 2 and 3 are replaced by 4-(methoxycarbonyl)phenyl, chloroacetyl and methoxycarbonyl groups, respectively (the 1S,2R stereoisomer). It is a potential antineoplastic agent which triggers ferroptosis by inactivating the glutathione peroxidase 4 (GPX4) enzyme. It has the role of ferroptosis inducer . It has the role of EC 1.11.1.9 (glutathione peroxidase) inhibitor . It has the role of antineoplastic agent . It is also related to or classified as tertiary carboxamide  . It is also related to or classified as methyl ester  .  It is also related to or classified as organochlorine compound  . It is also related to or classified as diester  . It is also related to or classified as benzoate ester , beta-carbolines .
The molecule OC1=CC=CC(O)=C(O)C1=O OC1=CC=CC(O)=C(O)C1=O is A cyclic ketone that is tropolone in which the hydrogens at positions 3 and 7 are substituted by hydroxy groups. It is isolated from the soil bacterium Streptomyces tropolofaciens strain K611-97. It has the role of antineoplastic agent . It has the role of bacterial metabolite . Its functional parent is tropolone .   It is also related to or classified as enol  . It is also related to or classified as alpha-hydroxy ketone , triol , cyclic ketone .
The molecule C[C@@H]([C@H](O)C(O)=O)C(O)=O C[C@@H]([C@H](O)C(O)=O)C(O)=O is A threo-3-methylmalic acid that has (2S,3S)-configuration. It is also related to or classified as threo-3-methylmalic acid .
The molecule C([C@H]([C@@H](C(=O)COP(=O)([O-])[O-])O)O)C(=O)[O-] is trianion of 6-phospho-5-dehydro-2-deoxy-D-gluconic acid arising from deprotonation of the carboxy and phosphate groups; major species at pH 7.3. It is an organophosphate oxoanion, a 5-oxo monocarboxylic acid anion and a hydroxy monocarboxylic acid anion. It is a conjugate base of a 6-phospho-5-dehydro-2-deoxy-D-gluconic acid.