anonymous041/ChEBI-Augmented huggingface dataset:
The molecule O[C@@H]1[C@H]([C@H](O[C@@H]([C@@H]1O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)N)C(O)=O)O[C@@H]4[C@H](O)[C@H](O[C@@]([C@H]4O)([C@@H](OP(=O)(OCCN)O)CO[C@H]5O[C@@]([C@H]([C@@H]([C@@H]5O)O)O)([C@@H](O)CO)[H])[H])O[C@@H]6[C@H](O)[C@H](O[C@@]([C@H]6O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)([C@@H](O)CO)[H])O[C@@H]8[C@@H](C[C@@](O[C@@]8([C@H](O)CO[C@@H]9[C@@H]([C@H]([C@H](CO9)N)O)O)[H])(C(O)=O)O)O[C@@]%10(C[C@H]([C@H]([C@](O%10)([C@H](O)CO)[H])O)O)C(O)=O)O[C@H]%11O[C@@]([C@H]([C@@H]([C@@H]%11O[C@H]%12O[C@@]([C@H]([C@@H]([C@@H]%12O)O)O)([C@@H](O)CO)[H])O)O)([C@H](O)CO)[H] O[C@@H]1[C@H]([C@H](O[C@@H]([C@@H]1O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)N)C(O)=O)O[C@@H]4[C@H](O)[C@H](O[C@@]([C@H]4O)([C@@H](OP(=O)(OCCN)O)CO[C@H]5O[C@@]([C@H]([C@@H]([C@@H]5O)O)O)([C@@H](O)CO)[H])[H])O[C@@H]6[C@H](O)[C@H](O[C@@]([C@H]6O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)([C@@H](O)CO)[H])O[C@@H]8[C@@H](C[C@@](O[C@@]8([C@H](O)CO[C@@H]9[C@@H]([C@H]([C@H](CO9)N)O)O)[H])(C(O)=O)O)O[C@@]%10(C[C@H]([C@H]([C@](O%10)([C@H](O)CO)[H])O)O)C(O)=O)O[C@H]%11O[C@@]([C@H]([C@@H]([C@@H]%11O[C@H]%12O[C@@]([C@H]([C@@H]([C@@H]%12O)O)O)([C@@H](O)CO)[H])O)O)([C@H](O)CO)[H] is an oligosaccharide derivative that is a dodecasaccharide derivative, the oligosaccharide portion of the Proteus penneri strain 26 lipopolysaccharide (LPS) core region. It is also related to or classified as oligosaccharide derivative .
The molecule C[C@H]1CN[C@@H](COC2=C(C=CC(=C2)NS(=O)(=O)CC(F)(F)F)C(=O)N(C[C@@H]1OC)C)C C[C@H]1CN[C@@H](COC2=C(C=CC(=C2)NS(=O)(=O)CC(F)(F)F)C(=O)N(C[C@@H]1OC)C)C is 2,2,2-trifluoro-N-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC(C)C(CCC(C)CC(=O)[O-])O is a hydroxy fatty acid anion that is the conjugate base of 6-hydroxy-3,7-dimethyloctanoic acid, arising from deprotonation of the carboxy group; major species at pH 7.3. It derives from an octanoate. It is a conjugate base of a 6-hydroxy-3,7-dimethyloctanoic acid.
The molecule [H][Al]([H])[H] [H][Al]([H])[H] is alumane. It is also related to or classified as aluminium hydride , mononuclear parent hydride .
The molecule [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2[NH3+])C([O-])=O [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2[NH3+])C([O-])=O is zwitterionic form of 6-aminopenicillanic acid arising from migration of a proton from the carboxy group to the 6-amino group; major species at pH 7.3. It is a conjugate acid of 6-aminopenicillanate . It is also related to or classified as amino-acid zwitterion .
The molecule CC(C)CCC(=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 a methyl-branched fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 4-methylpentanoic acid. It is a methyl-branched fatty acyl-CoA and a short-chain fatty acyl-CoA. It derives from an isocaproic acid. It is a conjugate acid of a 4-methylpentanoyl-CoA(4-).
The molecule C1CN(CCN1CC(C(C2=CC=CC=C2)C3=CC=CC=C3)O)C4=CC(=CC=C4)Cl is an N-alkylpiperazine that is 1-(3-chlorophenyl)piperazine carrying a 3,3-diphenyl-2-hydroxyprop-1-yl group at position 4. A selective h5-HT1D antagonist, displaying 60-fold selectivity over h5-HT1B, and exhibiting little or no affinity for a range of other receptor types. It has a role as a serotonergic antagonist. It is a N-alkylpiperazine, a N-arylpiperazine, a secondary alcohol and a member of monochlorobenzenes. It is a conjugate base of a 4-(3-chlorophenyl)-1-(2-hydroxy-3,3-diphenylpropyl)piperazin-1-ium(1+).
The molecule C[C@@H]1CN(C(=O)C2=CC=CC(=C2OCC[C@@H]3CC[C@@H]([C@H](O3)CN(C1=O)C)OC)C#N)C C[C@@H]1CN(C(=O)C2=CC=CC(=C2OCC[C@@H]3CC[C@@H]([C@H](O3)CN(C1=O)C)OC)C#N)C is LSM-13827. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule [Li][H] [Li][H] is an alkali metal hydride where the metal is specified as lithium. It is also related to or classified as lithium hydrides .
The molecule CCN1OCC(NC(=O)C2=C(C)C=C(C=C2)C2=NOC(C2)(C2=CC(Cl)=C(F)C(Cl)=C2)C(F)(F)F)C1=O CCN1OCC(NC(=O)C2=C(C)C=C(C=C2)C2=NOC(C2)(C2=CC(Cl)=C(F)C(Cl)=C2)C(F)(F)F)C1=O is A member of the class of isoxazoles that is 4,5-dihydro-1,2-oxazole substituted by 4-[(2-ethyl-3-oxo-1,2-oxazolidin-4-yl)carbamoyl]-3-methylphenyl, trifluoromethyl, and 3,5-dichloro-4-fluorophenyl groups at positions 3, 5, and 5, respectively. It is also related to or classified as secondary carboxamide  . It is also related to or classified as dichlorobenzene  .  It is also related to or classified as isoxazoles  .  It is also related to or classified as monofluorobenzenes  . It is also related to or classified as toluenes , oxazolidinone .
The molecule C1=C(C=C2C(=C1)B(OC2)O)OC3=CC=C(C=C3)C#N C1=C(C=C2C(=C1)B(OC2)O)OC3=CC=C(C=C3)C#N is A member of the class of benzoxaboroles that is 5-hydroxy-1,3-dihydro-2,1-benzoxaborole in which the phenolic hydrogen has been replaced by a 4-cyanophenyl group. A phosphodiesterase 4 inhibitor that is used for treatment of mild to moderate atopic dermatitis in children and adults. It has the role of non-steroidal anti-inflammatory drug . It has the role of antipsoriatic . It has the role of phosphodiesterase IV inhibitor . It is also related to or classified as nitrile  . It is also related to or classified as aromatic ether , benzoxaborole .
The molecule O=C(C1=C(O)C(=C(O)C=C1OC)CC)/C=C/C O=C(C1=C(O)C(=C(O)C=C1OC)CC)/C=C/C is Phomalichenone A. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO[C@@]2(C[C@H]([C@H]([C@H](O2)[C@@H](CO)O)O)OP(=O)(O)O)C(=O)O)O)O is an amino disaccharide consisting of a 3-deoxy-4-O-phosphono-D-manno-oct-2-ulose residue attached to beta-glucosamine via an alpha-(2->6)-linkage. It is an amino disaccharide and a glucosamine oligosaccharide.
The molecule C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O is a nucleotide-sugar oxoanion that is the dianion of UDP-D-galactose. It has a role as a human metabolite and a Saccharomyces cerevisiae metabolite. It is a conjugate base of an UDP-D-galactose.
The molecule O=C(O[C@H]1[C@]2(O[C@@]([C@@H]1O)(O[C@@H]([C@@]2(O)C(=O)O)C(=O)O)CCC(=C)[C@@H](OC(=O)C)[C@@H](CC3=CC=CC=C3)C)C(=O)O)/C=C/C(O)(CC(CC)C)C O=C(O[C@H]1[C@]2(O[C@@]([C@@H]1O)(O[C@@H]([C@@]2(O)C(=O)O)C(=O)O)CCC(=C)[C@@H](OC(=O)C)[C@@H](CC3=CC=CC=C3)C)C(=O)O)/C=C/C(O)(CC(CC)C)C is Squalestatin V1. Its functional parent is hexacarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC(C)C)C(=O)N(C[C@@H]1OC)C)C)C C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC(C)C)C(=O)N(C[C@@H]1OC)C)C)C is 1-[(4S,7R,8R)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C=12C(=NC3=CC(=C(O)C(=C3)Cl)Cl)CCC(C1C=CC=C2)=O C=12C(=NC3=CC(=C(O)C(=C3)Cl)Cl)CCC(C1C=CC=C2)=O is A member of the class of imines that is 2,3-dihydro-1,4-naphthoquinone imine in which the imine hydrogen has been replaced by a 3,5-dichloro-4-hydroxyphenyl group.  It is also related to or classified as dichlorobenzene  . It is also related to or classified as imine  . It is also related to or classified as chlorophenol , tetralins .
The molecule CN(C)CC(=O)NC[C@@H]1[C@@H]([C@@H](N1)CO)C2=CC=C(C=C2)C3=CC=CC(=C3)C#N CN(C)CC(=O)NC[C@@H]1[C@@H]([C@@H](N1)CO)C2=CC=C(C=C2)C3=CC=CC(=C3)C#N is N-[[(2S,3S,4R)-3-[4-(3-cyanophenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-2-(dimethylamino)acetamide. It is also related to or classified as nitrile  . It is also related to or classified as biphenyls .
The molecule O1C(C(O)C(O)C(O)C1OC2=CC=3OCC(CC3C=C2)C4=C(O)C=C(OC)C=C4)CO O1C(C(O)C(O)C(O)C1OC2=CC=3OCC(CC3C=C2)C4=C(O)C=C(OC)C=C4)CO is Vestitone 7-glucoside. It is also related to or classified as acrovestone  . It is also related to or classified as isoflavonoid .
The molecule C[C@H]1CN[C@@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)F)C(=O)N(C[C@@H]1OC)C)C C[C@H]1CN[C@@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)F)C(=O)N(C[C@@H]1OC)C)C is 3-fluoro-N-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule O1C(C(O)C(O)C(O)C1OC=2C(C(=O)CCC3=CC(OC)=C(OC)C(OC)=C3)=C(O)C=C(O)C2)C(O)=O O1C(C(O)C(O)C(O)C1OC=2C(C(=O)CCC3=CC(OC)=C(OC)C(OC)=C3)=C(O)C=C(O)C2)C(O)=O is 6-{3,5-dihydroxy-2-[3-(3,4,5-trimethoxyphenyl)propanoyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule C/C=C(\\C)/C(=O)OC[C@]1(CCC[C@H]2[C@]1([C@H](C[C@H]([C@]2(C)CCC3=CC(=O)OC3)C)O)CO)O is a diterpene lactone isolated from the whole plant Ajuga ciliata. It has a role as a plant metabolite. It is a diterpene lactone, a butenolide, a carbobicyclic compound, an enoate ester and a triol. It derives from a tiglic acid.
The molecule C[C@@H](CP(=O)(O)[O-])O is the organophosphate oxoanion that is the anion formed from (S)-2-hydroxypropylphosphonic acid by loss of a single proton from the phosphate group; the major microspecies at pH 7.3. It is a conjugate base of a (S)-2-hydroxypropylphosphonic acid.
The molecule O[C@H]1[C@H](O)O[C@@H]([C@@H]([C@@H]1O)O)CO[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O O[C@H]1[C@H](O)O[C@@H]([C@@H]([C@@H]1O)O)CO[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O is A disaccharide consisting of beta-D-galactopyranose having a D-galactopyranosyl residue attached at the 6-position via an alpha-linkage. alpha-D-Gal-(1->6)-D-Gal in which the configuration at the reducing end anomeric centre is beta. It is also related to or classified as alpha-D-Galp-(1->6)-D-Galp  .
The molecule C(=O)(NC1=CC=CC=C1OC)NC2=CC3=C(C=CC=C3)C=C2 C(=O)(NC1=CC=CC=C1OC)NC2=CC3=C(C=CC=C3)C=C2 is A member of the class of phenylureas that is N-(2-methoxyphenyl)urea in which one of the two protons on the free NH2 function has been replaced by a 2-naphthyl group. It is also related to or classified as phenylureas , monomethoxybenzene , naphthalenes .
The molecule CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@H](CN([C@@H](CO2)C)CC3=CC=CC=C3)C)OC)C CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@H](CN([C@@H](CO2)C)CC3=CC=CC=C3)C)OC)C is N-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(phenylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCCC\C=C/C(O)=O CCCC\C=C/C(O)=O is A 2-heptenoic acid having the cis configuration. It is also related to or classified as 2-heptenoic acid  .
The molecule CC(C)=CCC[C@@]1([C@@]2([H])CCC(C)=CCCC(C)=C[C@]21[H])C CC(C)=CCC[C@@]1([C@@]2([H])CCC(C)=CCCC(C)=C[C@]21[H])C is A diterpene that is produced by a multifunctional terpene synthase from Streptomyces xinghaiensis. It has the role of bacterial metabolite .  It is also related to or classified as diterpene  . It is also related to or classified as bicyclic compound , polycyclic olefin .
The molecule C1=CC=C(C=C1)C[C@H]2C(=O)N[C@H](C(=O)N2)CC3=CC=C(C=C3)O is a member of the class of 2,5-diketopiperazines that is piperazine-2,5-dione in which one hydrogen at position 3 and one hydrogen at position 6 are replaced by benzyl and 4-hydroxybenzyl groups (the 3S,6S-diastereomer).
The molecule CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O is a beta-D-glucopyranoside having a methyl substituent at the anomeric position. It is a beta-D-glucoside and a methyl D-glucoside.
The molecule C(CC(CC(=O)O)O)(=O)O C(CC(CC(=O)O)O)(=O)O is A 3 hydroxy carboxylic acid that is glutaric acid which is substituted by a hydroxy group at position 3. It is a diagnostic marker for glutaric aciduria type I. It has the role of human urinary metabolite . It has the role of human blood serum metabolite . Its functional parent is glutaric acid . It is a conjugate acid of 3-hydroxyglutarate(2-) . It is also related to or classified as alpha,omega-dicarboxylic acid , 3-hydroxy carboxylic acid .
The molecule CNC(C)Cc1ccc2OCOc2c1 CNC(C)Cc1ccc2OCOc2c1 is A member of the class of  benzodioxoles that is 1,3-benzodioxole substituted by a 2-(methylamino)propyl group at position 5. It has the role of neurotoxin . It is also related to or classified as amphetamines , benzodioxoles .
The molecule CC(=O)Oc1ccccc1C(O)=O CC(=O)Oc1ccccc1C(O)=O is A member of the class of benzoic acids that is salicylic acid in which the hydrogen that is attached to the phenolic hydroxy group has been replaced by an acetoxy group. A non-steroidal anti-inflammatory drug with cyclooxygenase inhibitor activity. It has the role of geroprotector . It has the role of non-steroidal anti-inflammatory drug . It has the role of non-narcotic analgesic . It has the role of antipyretic . It has the role of prostaglandin antagonist . It has the role of anticoagulant . It has the role of platelet aggregation inhibitor . It has the role of cyclooxygenase 2 inhibitor . It has the role of cyclooxygenase 1 inhibitor . It has the role of teratogenic agent . It has the role of plant activator . It has the role of EC 1.1.1.188 (prostaglandin-F synthase) inhibitor . It has the role of drug allergen . Its functional parent is salicylic acid . It is a conjugate acid of acetylsalicylate . It is also related to or classified as phenyl acetates  . It is also related to or classified as benzoic acids , salicylates .
The molecule CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@H]([C@@H](CN([C@H](CO2)C)CC3=CN=CN=C3)C)OC)C CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@H]([C@@H](CN([C@H](CO2)C)CC3=CN=CN=C3)C)OC)C is N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(5-pyrimidinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C=12CCC=3C=C(C=C(C3[C@H](C1N=CC(=C2)Br)C4CCN(CC4)C(=O)CC5CCN(CC5)C(N)=O)Br)Cl C=12CCC=3C=C(C=C(C3[C@H](C1N=CC(=C2)Br)C4CCN(CC4)C(=O)CC5CCN(CC5)C(N)=O)Br)Cl is A 4-{2-[4-(3,10-dibromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)piperidin-1-yl]-2-oxoethyl}piperidine-1-carboxamide that has R configuration. It is used as oral farnesyltransferase inhibitor. It has the role of antineoplastic agent . It has the role of EC 2.5.1.58 (protein farnesyltransferase) inhibitor . It is also related to or classified as 4-{2-[4-(3,10-dibromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)piperidin-1-yl]-2-oxoethyl}piperidine-1-carboxamide  .
The molecule CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@H](CN([C@@H](CO2)C)C(=O)C3=CC=C(C=C3)F)C)OC)C CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@H](CN([C@@H](CO2)C)C(=O)C3=CC=C(C=C3)F)C)OC)C is N-[(5R,6S,9R)-8-[(4-fluorophenyl)-oxomethyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule O1[C@](C[C@@H](O)[C@@H](O)C1C)(C2=C(O)C3=C(OC(C4=CC=C(O[C@@H]5OC([C@@H](O)[C@H](O)C5O)CO)C=C4)=CC3=O)C=C2O)[H] O1[C@](C[C@@H](O)[C@@H](O)C1C)(C2=C(O)C3=C(OC(C4=CC=C(O[C@@H]5OC([C@@H](O)[C@H](O)C5O)CO)C=C4)=CC3=O)C=C2O)[H] is Rhamnellaflavoside A. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule [C@@H]1([C@@H]([C@H](OC([C@@H]1O)O)C(=O)O)O)O is a D-glucuronic acid in cyclic pyranose form. It has a role as an algal metabolite. It is a conjugate acid of a D-glucopyranuronate. It is an enantiomer of a L-glucopyranuronic acid.
The molecule C[C@@H]1[C@@H]2CCC=C([C@]2(CC[C@]1(C)CC3=C(C(=CC(=O)C3=O)NCCS(=O)(=O)O)O)C)C is a sesquiterpenoid isolated from the sponge Dysidea sp. that is 5-amino-2-hydroxy-3-methyl-1,4-benzoquinone in which one of the hydrogens of the methyl group is replaced by a 1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-2-yl group and one of the hydrogens attached to the nitrogen is replaced by a 2-sulfoethyl group. Dysidine selectively inhibits human synovial phospholipase A2 (EC 3.1.1.4) with an IC50 = 2.0 muM. It has a role as a metabolite and an EC 3.1.1.4 (phospholipase A2) inhibitor. It is a secondary amino compound, an organosulfonic acid, a sesquiterpenoid, a member of monohydroxy-1,4-benzoquinones and a member of octahydronaphthalenes.
The molecule CCOC(=O)C1=CC2=C(C3=CC=CC=C3C=C2)OC1=O CCOC(=O)C1=CC2=C(C3=CC=CC=C3C=C2)OC1=O is 2-oxo-3-benzo[h][1]benzopyrancarboxylic acid ethyl ester. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule O=C(O)[C@@H](N(O)O)CCCCCCCCSC O=C(O)[C@@H](N(O)O)CCCCCCCCSC is an N,N-dihydroxy-L-polyhomomethionine in which there are eight methylene groups between the alpha-carbon and sulfur atoms. It is a conjugate acid of N,N-dihydroxy-L-hexahomomethioninate .  It is also related to or classified as N,N-dihydroxyhexahomomethionine  . It is also related to or classified as N,N-dihydroxy-L-polyhomomethionine .
The molecule CCNC[C@@H]1[C@@H]([C@@H](N1C2=NC(=C(S2)C)C)CO)C3=CC=C(C=C3)C4=CCCC4 CCNC[C@@H]1[C@@H]([C@@H](N1C2=NC(=C(S2)C)C)CO)C3=CC=C(C=C3)C4=CCCC4 is [(2R,3S,4S)-3-[4-(1-cyclopentenyl)phenyl]-1-(4,5-dimethyl-2-thiazolyl)-4-(ethylaminomethyl)-2-azetidinyl]methanol. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule C[NH2+][C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O[C@H]1[C@@H](O[C@@H](C)[C@]1(O)COP([O-])([O-])=O)O[C@H]1[C@H](O)[C@@H](OP([O-])([O-])=O)[C@H](NC(N)=[NH2+])[C@@H](O)[C@@H]1NC(N)=[NH2+] C[NH2+][C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O[C@H]1[C@@H](O[C@@H](C)[C@]1(O)COP([O-])([O-])=O)O[C@H]1[C@H](O)[C@@H](OP([O-])([O-])=O)[C@H](NC(N)=[NH2+])[C@@H](O)[C@@H]1NC(N)=[NH2+] is an organophosphate oxoanion that is the conjugate base of dihydrostreptomycin 3'alpha,6-bisphosphate arising from deprotonation of the phosphate OH groups and protonation of the guanidino and secondary amino groups; major species at pH 7.3. It is also related to or classified as organophosphate oxoanion .
The molecule [H]C(C)=C([H])C#C [H]C(C)=C([H])C#C is an enyne that is pentane which carries a triple bond at position 1 and a double bond at position 3. It has the role of fungal metabolite . It has the role of human metabolite .     It is also related to or classified as terminal acetylenic compound  . It is also related to or classified as volatile organic compound , acyclic olefin , acyclic acetylene , enyne .
The molecule C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C is a cholestanoid that is (5alpha)-cholestane substituted by a beta-hydroxy group at position 3. It is a cholestanoid and a 3beta-hydroxy steroid. It derives from a hydride of a 5alpha-cholestane.
The molecule C/C=C(\\C)/C(=O)O[C@@H]1C[C@H]([C@]2(CO[C@@H]3[C@@H]2[C@]14CO[C@@]([C@H]4[C@]([C@@H]3O)(C)[C@@]56[C@@H]7C[C@H]([C@@]5(O6)C)[C@]8(C=CO[C@H]8O7)O)(C(=O)OC)O)C(=O)OC)OC(=O)C is a member of the class of azadirachtin found in the neem tree, Azadirachta indica. It has a role as a plant metabolite. It is an azadirachtin and a methyl ester.
The molecule COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2ccccc2O1 COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2ccccc2O1 is A member of the class of  quinazolines that is quinazoline substituted by an amino group at position 4, methoxy groups at positions 6 and 7 and a piperazin-1-yl group at position 2 which in turn is substituted by a 2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl group at position 4. An  antihypertensive agent, it is used in the treatment of high blood pressure. It has the role of antineoplastic agent . It has the role of vasodilator agent . It has the role of antihypertensive agent . It has the role of alpha-adrenergic antagonist . It has the role of antihyperplasia drug . It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as quinazolines , N-acylpiperazine , N-arylpiperazine , benzodioxine , aromatic amine .
The molecule C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)F)C(=O)N(C[C@@H]1OC)C)C)C(=O)COC C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)F)C(=O)N(C[C@@H]1OC)C)C)C(=O)COC is 4-fluoro-N-[(4S,7R,8R)-8-methoxy-5-(2-methoxy-1-oxoethyl)-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule O=C([O-])[C@@H](N(O)O)CCCCCCCCSC O=C([O-])[C@@H](N(O)O)CCCCCCCCSC is an N,N-dihydroxy-L-polyhomomethioninate that is the conjugate base of N,N-dihydroxy-L-hexahomomethionine, obtained by deprotonation of the carboxy group; major species at pH 7.3.  It is also related to or classified as N,N-dihydroxyhexahomomethioninate  . It is also related to or classified as N,N-dihydroxy-L-polyhomomethioninate .
The molecule CC(C)=CC[C@]12O[C@H]1[C@H](O)C=C(C#CC(C)=C)[C@H]2O CC(C)=CC[C@]12O[C@H]1[C@H](O)C=C(C#CC(C)=C)[C@H]2O is A member of the class of epoxides that is (1R,6S)-7-oxabicyclo[4.1.0]hept-3-ene substituted by 3-methylbut-2-en-1-yl, hydroxy, 2-methylbut-1-en-3-yn-4-yl, and hydroxy groups at positions 1, 2R, 3 and 5R. It is a meroterpenoid natural product synthesized by the Ascomycota fungus Biscogniauxia sp. It has the role of fungal metabolite . It is also related to or classified as secondary allylic alcohol  . It is also related to or classified as diol  . It is also related to or classified as epoxide  .  It is also related to or classified as acetylenic compound  . It is also related to or classified as secondary alcohol  . It is also related to or classified as meroterpenoid , olefinic compound .
The molecule C[C@H]1CN[C@H](COC2=C(C=CC(=C2)NS(=O)(=O)C3=CN(C=N3)C)C(=O)N(C[C@H]1OC)C)C C[C@H]1CN[C@H](COC2=C(C=CC(=C2)NS(=O)(=O)C3=CN(C=N3)C)C(=O)N(C[C@H]1OC)C)C is N-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1-methyl-4-imidazolesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule OC(=O)CCCCC=C OC(=O)CCCCC=C is A heptenoic acid with the double bond at position 6. It is also related to or classified as heptenoic acid .
The molecule CCCCCCCCCCC1=CC=CO1 CCCCCCCCCCC1=CC=CO1 is A member of the class of furans that is furan in which the hydrogen at position 2 is replaced by a decyl group. It has the role of flavouring agent . It has the role of plant metabolite . It is also related to or classified as furans .
The molecule C1=CC=C(C=C1)C[C@@H](C(=O)[O-])O is a (2S)-2-hydroxy monocarboxylic acid anion resulting from the removal of a proton from the carboxylic acid group of (S)-3-phenyllactic acid. It is a 3-phenyllactate and a (2S)-2-hydroxy monocarboxylic acid anion. It is a conjugate base of a (S)-3-phenyllactic acid. It is an enantiomer of a (R)-3-phenyllactate.
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)C4C(CCCC4=O)O)O is a 3-oxo-fatty acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of 2-hydroxy-6-oxocyclohexane-1-carbonyl-CoA; major species at pH 7.3. It is a 3-oxo-fatty acyl-CoA(4-) and a 3-hydroxy fatty acyl-CoA(4-). It is a conjugate base of a 2-hydroxy-6-oxocyclohexane-1-carbonyl-CoA.
The molecule O=C(O)[C@@H](NO)CCCCCCCCSC O=C(O)[C@@H](NO)CCCCCCCCSC is an N-hydroxy-L-polyhomomethionine in which there are eight methylene groups between the alpha-carbon and sulfur atoms. It is a conjugate acid of N-hydroxy-L-hexahomomethioninate .  It is also related to or classified as N-hydroxyhexahomomethionine  . It is also related to or classified as N-hydroxy-L-polyhomomethionine .