anonymous041/ChEBI-Augmented huggingface dataset:
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)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)C is (3R,9R,10S)-16-(dimethylamino)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule N1([C@H](C[C@H](C1)OC)C(=O)NC2=CC=C(C=C2F)N3C=CC=CC3=O)C(=O)NC4=CC=C(C=C4)Cl N1([C@H](C[C@H](C1)OC)C(=O)NC2=CC=C(C=C2F)N3C=CC=CC3=O)C(=O)NC4=CC=C(C=C4)Cl is A member of the class of pyrrolidines that is (2R,4R)-N(1)-(p-chlorophenyl)-4-methoxypyrrolidine-1,2-dicarboxamide in which the nitrogen of the 2-carbamoyl group has been substituted by a 2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl group. It is a synthetic organic anticoagulant compound that targets activated factor Xa in the coagulation cascade. It has the role of anticoagulant . It has the role of serine protease inhibitor . It has the role of EC 3.4.21.6 (coagulation factor Xa) inhibitor . It is also related to or classified as secondary carboxamide  .     It is also related to or classified as monofluorobenzenes  . It is also related to or classified as pyridone , pyrrolidines , ureas , monochlorobenzenes .
The molecule C([C@H](CC1=CC=C(C=C1)O)NC(C)=O)(=O)O C([C@H](CC1=CC=C(C=C1)O)NC(C)=O)(=O)O is an N-acetyltyrosine in which the chiral centre has L configuration. It has the role of biomarker . It has the role of EC 2.1.1.4 (acetylserotonin O-methyltransferase) inhibitor . It has the role of human urinary metabolite . It is a conjugate acid of N-acetyl-L-tyrosinate . It is also related to or classified as N-acetyltyrosine  . It is also related to or classified as N-acyl-L-tyrosine .
The molecule C1=CC=C(C=C1)C/C(=N/O)/SC[C@@H](C(=O)NCC(=O)[O-])[NH3+] is a dipeptide zwitterion resulting from transfer of a proton from the carboxy to the amino group of S-[(Z)-N-hydroxy-2-phenylethanimidoyl]-L-cysteinylglycine; major species at pH 7.3. It is a tautomer of a S-[(Z)-N-hydroxy-2-phenylethanimidoyl]-L-cysteinylglycine.
The molecule O=C1C2=C(OC(=C1)/C=C/C=C/C)O[C@@]3(CC[C@@]4([C@@]([C@H]3C2)(CCC(C4(C)C)=O)C)O)C O=C1C2=C(OC(=C1)/C=C/C=C/C)O[C@@]3(CC[C@@]4([C@@]([C@H]3C2)(CCC(C4(C)C)=O)C)O)C is Hebetaeltin B. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CC3=CC=CC=C3)[C@H](C)CO)C)CN(C)S(=O)(=O)C C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CC3=CC=CC=C3)[C@H](C)CO)C)CN(C)S(=O)(=O)C is N-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(methylsulfonyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-phenylacetamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCCC(=O)N[C@@H](CO)C(=O)NC(CC(=C)C)C(=O)C1(CO1)CO is an epoxide that is oxiran-2-ylmethanol which is acylated at position 2 by N-butanoyl-L-seryl-4-methylidenenorvalinyl group. It is a proteasome inhibitor isolated from Streptomyces. It has a role as a proteasome inhibitor, an antineoplastic agent, an antimicrobial agent and a bacterial metabolite. It is an epoxide, a ketone, a primary alcohol, a secondary alcohol, a diol and a monocarboxylic acid amide.
The molecule C1CO1 C1CO1 is A  saturated organic heteromonocyclic parent that is a three-membered heterocycle of two carbon atoms and one oxygen atom. It has the role of mutagen . It has the role of allergen . It has the role of mouse metabolite . It is also related to or classified as gas molecular entity , saturated organic heteromonocyclic parent , oxacycle .
The molecule NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C([O-])=O NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C([O-])=O is conjugate acid of L-tyrosyl-L-arginine arising from deprotonation of the carboxy terminus and protonation of the side-chain guanidino group and the amino terminus; major species at pH 7.3. It is a conjugate acid of Tyr-Arg . It is also related to or classified as peptide cation .
The molecule O=C(O)C\C=C\C=C/C=C/C=C/C=C/C=C/C=C\C=C\C=C(\C(=O)C)/C O=C(O)C\C=C\C=C/C=C/C=C/C=C/C=C/C=C\C=C\C=C(\C(=O)C)/C is (3E,5Z,7E,9E,11E,13E,15Z,17E,19E)-20-methyl-21-oxodocosa-3,5,7,9,11,13,15,17,19-nonaenoic acid. It is also related to or classified as very long-chain fatty acid  .
The molecule [Tl+3] [Tl+3] is thallium(3+).  It is also related to or classified as monoatomic trication  . It is also related to or classified as thallium cation , monoatomic thallium .
The molecule [C@H]1([C@H]([C@H]([C@@H]([C@H](O1)C)NC([H])=O)O)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)C)NC([H])=O)O)OC)O[C@@H]3[C@@H]([C@H](O[C@@H]([C@H]3NC([H])=O)C)OCCCCCC(OC)=O)O [C@H]1([C@H]([C@H]([C@@H]([C@H](O1)C)NC([H])=O)O)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)C)NC([H])=O)O)OC)O[C@@H]3[C@@H]([C@H](O[C@@H]([C@H]3NC([H])=O)C)OCCCCCC(OC)=O)O is A glycoside that consists of an N-formyl-2-O-methyl-alpha-D-perosamine residue and two N-formyl-alpha-D-perosamine residues linked sequentially (1->2) and (1->3) and linked at the reducing end glycosidically to a 5-(methoxycarbonyl)pentyl group. It is also related to or classified as glycoside  . It is also related to or classified as methyl ester  . It is also related to or classified as trisaccharide derivative .
The molecule C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)C3=CC=CC=C3 C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)C3=CC=CC=C3 is N-[[(3S,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbenzamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule c1ccc2c(c1)oc1ccccc21 c1ccc2c(c1)oc1ccccc21 is A mancude organic heterotricyclic parent that consists of a furan ring flanked by two benzene rings ortho-fused across the 2,3- and 4,5-positions. It has the role of xenobiotic . It is also related to or classified as mancude organic heterotricyclic parent , polycyclic heteroarene , dibenzofurans .
The molecule CCCCCCCCC(CCCCCCCCC(=O)[O-])O is a hydroxy saturated fatty acid anion resulting from the deprotonation of the carboxy group of 10-hydroxyoctadecanoic acid. It is a conjugate base of a 10-hydroxyoctadecanoic acid.
The molecule C(=CCC=C/C=C/C(C/C=C\CC)O)/C=C\C(CCCCCC([O-])=O)O C(=CCC=C/C=C/C(C/C=C\CC)O)/C=C\C(CCCCCC([O-])=O)O is A docosanoid anion that is the conjugate base of 7,17-dihydroxy-(8Z,15E,19Z)-docosa-8,10,13,15,19-pentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.  It is also related to or classified as hydroxy polyunsaturated fatty acid anion  . It is also related to or classified as docosanoid anion .
The molecule C([C@H](CC1=CC=C(C=C1)O)NC(C)=O)(=O)[O-] C([C@H](CC1=CC=C(C=C1)O)NC(C)=O)(=O)[O-] is A monocarboxylic acid anion that is the conjugate base of N-acetyl-L-tyrosine, 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 N-acyl-L-alpha-amino acid anion  .
The molecule O1C2CC3C4(C(CC(O)C3C(C2)C1=O)C(OC(C4)C=5C=COC5)=O)C O1C2CC3C4(C(CC(O)C3C(C2)C1=O)C(OC(C4)C=5C=COC5)=O)C is Diosbulbin E. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@@H](C)CO)C)CN(C)S(=O)(=O)C C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@@H](C)CO)C)CN(C)S(=O)(=O)C is N-[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(methylsulfonyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule COC1=C(C=C(C=C1)[C@@H]2[C@H](C(=O)C3=C(C=C(C(=C3O2)[C@@H]4[C@H](OC5=CC(=CC(=C5C4=O)O)O)C6=CC=C(C=C6)O)O)O)O)O is a biflavonoid isolated from the seeds of Garcinia kola that has been shown to exhibit hepatoprotective activity. It has a role as a hepatoprotective agent and a plant metabolite. It is a biflavonoid, a ring assembly, a member of dihydroflavonols, a secondary alpha-hydroxy ketone and a member of 4'-methoxyflavanones.
The molecule O=C1C2=C(O)C3=C(C[C@@](O)(C(=O)C)C[C@@H]3O)C(=C2C(=O)C=4C1=C(OC)C=CC4)O O=C1C2=C(O)C3=C(C[C@@](O)(C(=O)C)C[C@@H]3O)C(=C2C(=O)C=4C1=C(OC)C=CC4)O is Daunomycinone. It is also related to or classified as quinone  . It is also related to or classified as tetracenes .
The molecule C=1(C2=C(NC1CC3NC(=O)C(C)=C3CC)/C(=C/4\N=C(CC5C(C)=C(C=C)C(=O)N5)[C@@H](C)[C@@H]4CCC(=O)[O-])/[C@@H](C(=O)[O-])C2=O)C C=1(C2=C(NC1CC3NC(=O)C(C)=C3CC)/C(=C/4\N=C(CC5C(C)=C(C=C)C(=O)N5)[C@@H](C)[C@@H]4CCC(=O)[O-])/[C@@H](C(=O)[O-])C2=O)C is O13(4)-desmethyl primary fluorescent dioxobilin-type chlorophyll catabolite(2-). Its functional parent is primary fluorescent dioxobilin-type chlorophyll catabolite(1-) . It is also related to or classified as dicarboxylic acid anion , linear tetrapyrrole anion .
The molecule C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@@H](C)CO)C)CNC C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@@H](C)CO)C)CNC is N-[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule COc1cc(cc(O)c1O)-c1[o+]c2cc(O)cc(O)c2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O COc1cc(cc(O)c1O)-c1[o+]c2cc(O)cc(O)c2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O is an anthocyanin cation that is petunidin substituted at position 3 by a beta-D-glucosyl residue. It has the role of antioxidant . It has the role of metabolite . Its functional parent is petunidin . It is also related to or classified as beta-D-glucoside  . It is also related to or classified as anthocyanin cation  . It is also related to or classified as aromatic ether .
The molecule C1CN(C(=O)N1)CC2=CN=C(C=C2)Cl is a imidazolidinone that is imidazolidin-2-one substituted by a (6-chloropyridin-3-yl)methyl group at position 1. It is a metabolite of the insecticide imidacloprid. It has a role as a marine xenobiotic metabolite. It is a monochloropyridine, an imidazolidinone and a member of ureas.
The molecule O1C23C(C(C4OC4C2O)(C1=O)C)C(C56C3CCC(C5)C(C6)=C)C(O)=O O1C23C(C(C4OC4C2O)(C1=O)C)C(C56C3CCC(C5)C(C6)=C)C(O)=O is Gibberellin A94. It is also related to or classified as C19-gibberellin , gibberellin monocarboxylic acid .
The molecule O1c2ccccc2Oc2ccccc12 O1c2ccccc2Oc2ccccc12 is oxanthrene.   It is also related to or classified as heteranthrene  . It is also related to or classified as dibenzodioxine , mancude organic heterotricyclic parent , oxacycle , polycyclic heteroarene .
The molecule O=C(CCC/C=C\C/C=C\C\C=C/C=C/[C@H](CCCCC)OO)OC(CO)CO O=C(CCC/C=C\C/C=C\C\C=C/C=C/[C@H](CCCCC)OO)OC(CO)CO is A 2-monoglyceride obtained by formal condensation of the carboxy group of 15(S)-HPETE with the 2-hydroxy group of glycerol. Its functional parent is 15(S)-HPETE .  It is also related to or classified as 2-monoglyceride  . It is also related to or classified as hydroperoxy fatty ester .
The molecule C[C@H](CCC=C(C)C)[C@H]1CC[C@@H]2[C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H]([C@H]4C(=O)[O-])O)C)C is a steroid acid anion that is the conjugate base of 4alpha-carboxyzymosterol, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a 3beta-hydroxy steroid and a 4-carboxyzymosterol(1-).
The molecule C1CCCC1 is a cycloalkane that consists of five carbons each bonded with two hydrogens above and below the plane. The parent of the class of cyclopentanes. It has a role as a non-polar solvent. It is a member of cyclopentanes, a cycloalkane and a volatile organic compound.
The molecule C1(CC=2C(C(C3=C1SC=C3)=C4CC[NH+](CC4)C)=CC=CC2)=O C1(CC=2C(C(C3=C1SC=C3)=C4CC[NH+](CC4)C)=CC=CC2)=O is an ammonium ion resulting from the protonation of the tertiary amino group of ketotifen. It is a conjugate acid of ketotifen . It is also related to or classified as ammonium ion derivative .
The molecule O[C@@H]1C=C(O)C(=O)[C@H](O)[C@H]1O O[C@@H]1C=C(O)C(=O)[C@H](O)[C@H]1O is A member of the class of  cyclohexenones that is cyclohex-2-en-1-one substituted by hydroxy groups at positions 2, 4, 5 and 6 (the 4R,5S,6R-stereoisomer). Its functional parent is cyclohex-2-enone . It is a conjugate acid of (3R,4S,5R)-3,4,5-trihydroxy-6-oxocyclohex-1-en-1-olate . It is also related to or classified as enol  .  It is also related to or classified as enone  . It is also related to or classified as cyclohexenones .
The molecule CC(=CCC1=C2C(=CC3=C1O[C@@H](CC3=O)C4=C(C(=CC(=C4O)O)C5=C(C=C(C=C5)O)O)O)C=CC(O2)(C)C)C is an extended flavonoid that consists of (2S)-flavanone substituted by hydroxy groups at positions 2', 3', and 6', a 2,4-dihyroxyphenyl group at position 5', a prenyl group at position 8 and a gem-dimethylpyran ring fused across positions 6 and 7. It has a role as a metabolite. It is a trihydroxyflavanone, an extended flavonoid, a member of resorcinols and a pyranochromane.
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 C. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@H](C)CO)C)CN(C)CC3=CC=CC=C3 C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@H](C)CO)C)CN(C)CC3=CC=CC=C3 is N-[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(phenylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule O[C@]1([C@@H](OC)C(=O)NC2=C1C(O)=C(C=C2)/C=C/C(CCC=C(C)C)(C)O)C3=CC=C(OC)C=C3 O[C@]1([C@@H](OC)C(=O)NC2=C1C(O)=C(C=C2)/C=C/C(CCC=C(C)C)(C)O)C3=CC=C(OC)C=C3 is [(1'E)-3'-hydroxy-3',7'-dimethylocta-1',6'-dien-1'-yl]-quinolinone B. Its functional parent is Quinolinone B . It is also related to or classified as quinolines .
The molecule COC(=O)CCc1c(C)c2cc3nc(cc4[nH]c(cc5nc(cc1[nH]2)c(CCC(O)=O)c5C)[C@]1(C)[C@H](C(=O)OC)C(=CC=C41)C(=O)OC)c(C)c3C=C COC(=O)CCc1c(C)c2cc3nc(cc4[nH]c(cc5nc(cc1[nH]2)c(CCC(O)=O)c5C)[C@]1(C)[C@H](C(=O)OC)C(=CC=C41)C(=O)OC)c(C)c3C=C is the 2(1),2(2),13-trimethyl ester of (2R,2(1)S)-2(1),2(2)-dicarboxy-8-ethenyl-2,7,12,18-tetramethyl-2,2(1)-dihydrobenzo[b]porphyrin-13,17-dipropanoic acid. Its functional parent is (2R,2(1)S)-2(1),2(2)-dicarboxy-8-ethenyl-2,7,12,18-tetramethyl-2,2(1)-dihydrobenzo[b]porphyrin-13,17-dipropanoic acid . It is also related to or classified as methyl ester  . It is also related to or classified as carboxylic acid  . It is also related to or classified as beta-substituted porphyrin .
The molecule CCCCCCCCCCCCCCOCC(=O)COP(=O)(O)O is a 1-alkylglycerone 3-phosphate in which the alkyl group is specified as tetradecyl It is a conjugate acid of a 1-tetradecylglycerone 3-phosphate(2-).
The molecule O1[C@@H](OC[C@H]2O[C@H](O)[C@H](NC(=O)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO O1[C@@H](OC[C@H]2O[C@H](O)[C@H](NC(=O)C)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO is an amino disaccharide consisting of beta-D-galactopyranose and 2-acetamido-2-deoxy-alpha-D-glucopyranose residues joined in sequence by a (1->6) glycosidic bond. Its functional parent is beta-D-galactose . Its functional parent is N-acetyl-alpha-D-glucosamine . It is also related to or classified as acetamides , amino disaccharide , glycosylglucose derivative .
The molecule O=C(NC1=CC(Cl)=C(C2=CC=CC=C2OC(F)(F)F)C(Cl)=C1)CC3=CC=C(S(=O)(CC)=O)C=C3 O=C(NC1=CC(Cl)=C(C2=CC=CC=C2OC(F)(F)F)C(Cl)=C1)CC3=CC=C(S(=O)(CC)=O)C=C3 is gSK805 is an orally active and CNS penetrant RORgammat inhibitor. GSK805 inhibits RORgamma and Th17 cells differentiation. GSK805 inhibits the function of Th17 cells. GSK805 can be used for the research of immunity. It is also related to or classified as organic molecular entity .
The molecule CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC=C(C=C3)OC(=O)C4=CC=CO4 CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC=C(C=C3)OC(=O)C4=CC=CO4 is 2-furancarboxylic acid [4-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenyl] ester. It is also related to or classified as pyranopyrazole , 2-furoate ester .
The molecule CCCCCCCCCCC[C@@H](O)CC(=O)N[C@H]1[C@H](OC[C@H]2O[C@H](OP(O)(O)=O)[C@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H]2O)O[C@H](CO[C@@]2(C[C@@H](O[C@@]3(C[C@@H](O)[C@@H](O)[C@H](O3)[C@H](O)CO)C(O)=O)[C@@H](O)[C@H](O2)[C@H](O)CO)C(O)=O)[C@@H](OP(O)(O)=O)[C@@H]1OC(=O)C[C@H](O)CCCCCCCCCCC CCCCCCCCCCC[C@@H](O)CC(=O)N[C@H]1[C@H](OC[C@H]2O[C@H](OP(O)(O)=O)[C@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H]2O)O[C@H](CO[C@@]2(C[C@@H](O[C@@]3(C[C@@H](O)[C@@H](O)[C@H](O3)[C@H](O)CO)C(O)=O)[C@@H](O)[C@H](O2)[C@H](O)CO)C(O)=O)[C@@H](OP(O)(O)=O)[C@@H]1OC(=O)C[C@H](O)CCCCCCCCCCC is lipid IVA glycosylated with two 3-deoxy-D-manno-octulosonic acid (KDO) residues. It has the role of Escherichia coli metabolite . It is a conjugate acid of (KDO)2-lipid IVA(6-) . It is also related to or classified as lipid As .
The molecule OC(=O)c1ccccc1Cl OC(=O)c1ccccc1Cl is A monochlorobenzoic acid having the chloro group at the 2-position. It has the role of plant hormone . It has the role of plant metabolite . It is a conjugate acid of 2-chlorobenzoate .  It is also related to or classified as 2-halobenzoic acid  . It is also related to or classified as monochlorobenzoic acid .
The molecule C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O)O)O)[NH3+] is an organic cation obtained by protonation of one of the two free amino groups of 2-deoxystreptamine. It is an ammonium ion derivative and an organic cation. It is a conjugate base of a 2-deoxystreptamine(2+). It is a conjugate acid of a 2-deoxystreptamine.
The molecule [O-][N+](=O)C1=CC=C(\C=C2/CN(C\C(=C/C3=CC=C(C=C3)[N+]([O-])=O)C2=O)C(=O)C=C)C=C1 [O-][N+](=O)C1=CC=C(\C=C2/CN(C\C(=C/C3=CC=C(C=C3)[N+]([O-])=O)C2=O)C(=O)C=C)C=C1 is A member of the class of piperidones that is piperidin-4-one substituted by a 3-oxoprop-1-en-3-yl group at position 1 and 4-nitrobenzylidene groups at positions 3 and 5. It is an inhibitor of ubiquitin-specific-processing protease 14 (USP14) and ubiquitin carboxyl-terminal hydrolase isozyme L5 (UCHL5). It has the role of antineoplastic agent . It has the role of proteasome inhibitor . It has the role of anti-inflammatory agent . It has the role of apoptosis inducer . It is also related to or classified as acrylamides , nitrophenol , piperidones .
The molecule O=C/1NC(CC(=O)N)C(\C1=C/2\OC(C(C)C=C2)C(C)C)=O O=C/1NC(CC(=O)N)C(\C1=C/2\OC(C(C)C=C2)C(C)C)=O is (5Z)-Bripiodionen. Its functional parent is beta-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C(=CC=C/C=C/C(C(C/C=C\CC)O)O)C=CC(CCCCCC([O-])=O)O C(=CC=C/C=C/C(C(C/C=C\CC)O)O)C=CC(CCCCCC([O-])=O)O is A docosanoid anion that is the conjugate base of 7,16,17-trihydroxy-(14E,19Z)-docosa-8,10,12,14,19-pentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.  It is also related to or classified as hydroxy polyunsaturated fatty acid anion  . It is also related to or classified as docosanoid anion .
The molecule CC(CC(=O)OC[C@]12CC[C@H]([C@@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)CC(C)C(=O)O)C)C(=C)C)C(=O)O is a pentacyclic triterpenoid that is betulin acylated at positions O-3 and O-28 by 3-carboxybutanoyl groups. It is isolated from Syzygium claviflorum. It has a role as a metabolite. It derives from a betulin.
The molecule O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C(=O)C3=C(OC2C4=CC=C(OC)C=C4)C(=C(O[C@@H]5OC([C@H](O)[C@H](O)C5O)CO)C=C3O)CC=C(C)C)CO[C@@H]6OC([C@H](O)C(O)[C@@H]6O)C O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C(=O)C3=C(OC2C4=CC=C(OC)C=C4)C(=C(O[C@@H]5OC([C@H](O)[C@H](O)C5O)CO)C=C3O)CC=C(C)C)CO[C@@H]6OC([C@H](O)C(O)[C@@H]6O)C is 8-Prenylkaempferol 4'-methyl ether 3-rhamnosyl-(1->6)-galactoside-7-galactoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CC3=CC=CC=C3)[C@H](C)CO)C)CNC C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CC3=CC=CC=C3)[C@H](C)CO)C)CNC is N-[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-phenylacetamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCC1=C(C2=NC1=CC3=C(C4=C([N-]3)C(=C5[C@H]([C@@H](C(=N5)C=C6C(=C(C(=C2)[N-]6)C=C)C)C)CCC(=O)[O-])[C@H](C4=O)C(=O)OC)C)C=O.[Mg+2] is a cyclic tetrapyrrole anion that is the conjugate base of chlorophyllide b, arising from deprotonation of the carboxy group. It is a cyclic tetrapyrrole anion and a monocarboxylic acid anion. It is a conjugate base of a chlorophyllide b. It is a conjugate acid of a chlorophyllide b(2-).
The molecule O1C(C(O)C(O)C(O)C1OC2=C(C=3OC(CC(=O)C3C(O)=C2C)C4=CC=C(O)C=C4)C)CO O1C(C(O)C(O)C(O)C1OC2=C(C=3OC(CC(=O)C3C(O)=C2C)C4=CC=C(O)C=C4)C)CO is Cyrtopterin. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)F)[C@@H](C)CO)C)CN(C)C C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)F)[C@@H](C)CO)C)CN(C)C is N-[(3R,9R,10R)-9-[(dimethylamino)methyl]-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-16-yl]-4-fluorobenzenesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule [Os+3] [Os+3] is osmium(3+).  It is also related to or classified as monoatomic trication  . It is also related to or classified as osmium cation .
The molecule [C@H]1([C@H]([C@H]([C@@H]([C@H](O1)C)NC([H])=O)O)OC)O[C@@H]2[C@@H]([C@H](O[C@@H]([C@H]2NC([H])=O)C)OCCCCCC(OC)=O)O [C@H]1([C@H]([C@H]([C@@H]([C@H](O1)C)NC([H])=O)O)OC)O[C@@H]2[C@@H]([C@H](O[C@@H]([C@H]2NC([H])=O)C)OCCCCCC(OC)=O)O is A glycoside that consists of an N-formyl-2-O-methyl-alpha-D-perosamine residue linked (1->3) to an N-formyl-alpha-D-perosamine residue which is linked glycosidically to a 5-(methoxycarbonyl)pentyl group. It is also related to or classified as glycoside  . It is also related to or classified as methyl ester  . It is also related to or classified as disaccharide derivative .
The molecule OC[C@H](O)[C@@H](O)C(=O)[C@H](O)C(O)=O OC[C@H](O)[C@@H](O)C(=O)[C@H](O)C(O)=O is A derivative of L-gulonic acid having a keto group at the 3-position. It has the role of Escherichia coli metabolite . Its functional parent is L-gulonic acid . It is a conjugate acid of 3-dehydro-L-gulonate . It is also related to or classified as ketoaldonic acid , hexonic acid .
The molecule CN(C)C(CCC1=NC=C(N1)C[C@@H](C(=O)O)N)C(=O)O is a L-histidine derivative that is L-histidine substituted at poisition 2 (on the imidazole ring) by a 3-carboxy-3-(dimethylamino)propyl group. It is a non-proteinogenic L-alpha-amino acid and a L-histidine derivative. It is a tautomer of a 2-[3-carboxylato-3-(dimethylammonio)propyl]-L-histidine dizwitterion.
The molecule O=C1C=C2C3=C(O[C@@]([C@@]2(O)CC1)(CCC=C(C)C)C)C=CC(=C3)O O=C1C=C2C3=C(O[C@@]([C@@]2(O)CC1)(CCC=C(C)C)C)C=CC(=C3)O is (+/-)-cochlearol W. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule O=C1C=CC(C)(C)[C@]2([C@]1([C@@H]3[C@@](OC=4O[C@H](C)CC(C4C3)=O)(C)CC2)C)O O=C1C=CC(C)(C)[C@]2([C@]1([C@@H]3[C@@](OC=4O[C@H](C)CC(C4C3)=O)(C)CC2)C)O is Talarolutin D. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .