anonymous041/ChEBI-Augmented huggingface dataset:
The molecule O=C([O-])[C@@H]([NH3+])CCCCCCSC O=C([O-])[C@@H]([NH3+])CCCCCCSC is an L-polyhomomethionine zwitterion obtained by transfer of a proton from the carboxy to the amino group of L-tetrahomomethionine; major species at pH 7.3.  It is also related to or classified as tetrahomomethionine zwitterion  . It is also related to or classified as L-polyhomomethionine zwitterion .
The molecule [H]C(CCCCCCCC(O)=O)=CCC [H]C(CCCCCCCC(O)=O)=CCC is A dodecenoic acid having its double bond in the 9-position. It is also related to or classified as dodecenoic acid .
The molecule O=C(O)[C@@H](N)CCCCCSC O=C(O)[C@@H](N)CCCCCSC is an L-polyhomomethionine in which there are five methylene groups between the alpha-carbon and sulfur atoms.  It is also related to or classified as trihomomethionine  . It is also related to or classified as L-polyhomomethionine .
The molecule O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)n1cnc2c1ncn(C1O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]1O)c2=N O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)n1cnc2c1ncn(C1O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]1O)c2=N is hexaanion of 1-(5-phospho-D-ribosyl)-ATP. It has the role of Saccharomyces cerevisiae metabolite . It is also related to or classified as nucleotide-sugar oxoanion .
The molecule O=C([O-])[C@@H]([NH3+])CCCCCSC O=C([O-])[C@@H]([NH3+])CCCCCSC is an L-polyhomomethionine zwitterion obtained by transfer of a proton from the carboxy to the amino group of L-trihomomethionine; major species at pH 7.3.  It is also related to or classified as trihomomethionine zwitterion  . It is also related to or classified as L-polyhomomethionine zwitterion .
The molecule O=C(O)[C@@H](N)CCCCSC O=C(O)[C@@H](N)CCCCSC is an L-polyhomomethionine in which there are four methylene groups between the alpha-carbon and sulfur atoms.  It is also related to or classified as dihomomethionine  . It is also related to or classified as L-polyhomomethionine .
The molecule O=C([O-])[C@@H]([NH3+])CCCCSC O=C([O-])[C@@H]([NH3+])CCCCSC is an L-polyhomomethionine zwitterion obtained by transfer of a proton from the carboxy to the amino group of L-dihomomethionine; major species at pH 7.3.  It is also related to or classified as dihomomethionine zwitterion  . It is also related to or classified as L-polyhomomethionine zwitterion .
The molecule C1C[C@]2([C@@](CC=C3[C@@]2(CC[C@@H](C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C)([C@]5([C@]1([C@@]6([C@](C5)([NH+]7C[C@H](CC[C@@]7([C@H]6C)[H])C)[H])[H])C)[H])[H])[H] C1C[C@]2([C@@](CC=C3[C@@]2(CC[C@@H](C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C)([C@]5([C@]1([C@@]6([C@](C5)([NH+]7C[C@H](CC[C@@]7([C@H]6C)[H])C)[H])[H])C)[H])[H])[H] is gamma-chaconine(1+). Its functional parent is solanidine . It is also related to or classified as sterol 3-beta-D-glucoside  . It is also related to or classified as monosaccharide derivative .
The molecule CCC(C)C#N CCC(C)C#N is A nitrile formed formally by substitution of a cyano group at C-2 of butane. It is also related to or classified as aliphatic nitrile  .
The molecule O=C1OC(=O)C2=C1[C@H]3[C@]45O[C@@H](C(=O)CC/C=C/C)C[C@H]3[C@H](CCCCC/C=C/C)C=C4[C@](C2)(C(=O)O5)CC(=O)O O=C1OC(=O)C2=C1[C@H]3[C@]45O[C@@H](C(=O)CC/C=C/C)C[C@H]3[C@H](CCCCC/C=C/C)C=C4[C@](C2)(C(=O)O5)CC(=O)O is CP-263,114. Its functional parent is tetracarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule C[n+]1c2cc(N)ccc2cc2ccc(N)cc12 C[n+]1c2cc(N)ccc2cc2ccc(N)cc12 is the cation obtained from 3,6-diaminoacridine by methylation of the nitrogen at position 10. It is also related to or classified as acridinium ion .
The molecule C([C@@H](C#N)C)C C([C@@H](C#N)C)C is A 2-methylbutyronitrile that has S configuration. It is also related to or classified as 2-methylbutanenitrile  .
The molecule Cc1ncc(C[n+]2csc(CCOP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)c2C)c(N)n1 Cc1ncc(C[n+]2csc(CCOP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)c2C)c(N)n1 is trianion of thiamine(1+) diphosphate arising from deprotonation of the four OH groups of the triphosphate. It has the role of Saccharomyces cerevisiae metabolite . It has the role of human metabolite . It is also related to or classified as vitamin B1 , organophosphate oxoanion .
The molecule [H]\C(=N\O)C(C)CC [H]\C(=N\O)C(C)CC is A 2-methylbutanal oxime in which the oxime double bond has Z geometry. It is also related to or classified as 2-methylbutanal oxime  .
The molecule [O-]C(=O)c1ccc(F)cc1 [O-]C(=O)c1ccc(F)cc1 is A fluorobenzoate that is the conjugate base of 4-fluorobenzoic acid. It has the role of bacterial xenobiotic metabolite . Its functional parent is benzoate . It is also related to or classified as fluorobenzoate .
The molecule C([C@@H](/C(=N\O)/[H])C)C C([C@@H](/C(=N\O)/[H])C)C is A (Z)-2-methylbutanal oxime that has S configuration at position 2. Its functional parent is (S)-2-methylbutanal . It is also related to or classified as (Z)-2-methylbutanal oxime  .
The molecule OC[C@H]1O[C@H](O[C@H]2O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O OC[C@H]1O[C@H](O[C@H]2O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O is dianion of alpha,alpha-trehalose 6-phosphate. It has the role of Saccharomyces cerevisiae metabolite . Its functional parent is alpha,alpha-trehalose . It is also related to or classified as organophosphate oxoanion .
The molecule [H][C@]12CC[C@H](C)CN1[C@@]1([H])C[C@@]3([H])[C@]4([H])CC=C5C[C@@H](O)CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@@H]2C [H][C@]12CC[C@H](C)CN1[C@@]1([H])C[C@@]3([H])[C@]4([H])CC=C5C[C@@H](O)CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@@H]2C is solanidine. It has the role of toxin . It has the role of plant metabolite . It is also related to or classified as 3beta-hydroxy-Delta(5)-steroid  . It is also related to or classified as solanid-5-en-3-ol  . It is also related to or classified as steroid alkaloid fundamental parent .
The molecule CC[C@H](C)C(=O)[H] CC[C@H](C)C(=O)[H] is A 2-methylbutanal that has S configuration. It is also related to or classified as 2-methylbutanal  .
The molecule [H]\C(=N/O)C(C)CC [H]\C(=N/O)C(C)CC is A 2-methylbutanal oxime in which the oxime double bond has E geometry. It is also related to or classified as 2-methylbutanal oxime  .
The molecule C\C=C/CC(O)=O C\C=C/CC(O)=O is A pent-3-enoic acid in cis- configuration. It is also related to or classified as pent-3-enoic acid  .
The molecule C([C@@H](/C(=N/O)/[H])C)C C([C@@H](/C(=N/O)/[H])C)C is an (E)-2-methylbutanal oxime that has S configuration at position 2. Its functional parent is (S)-2-methylbutanal . It is also related to or classified as (E)-2-methylbutanal oxime  .
The molecule C(CC=[C@@]=C([H])CCCC(O)=O)CCCCCCCCC C(CC=[C@@]=C([H])CCCC(O)=O)CCCCCCCCC is the (S)-enantiomer of laballenic acid. It is also related to or classified as laballenic acid  .
The molecule C(\C=C/C=C/C=C/[C@H]([C@@H](O)CCCC(=O)O)SC[C@H](N)C(=O)NCC(=O)O)CCCCCCC C(\C=C/C=C/C=C/[C@H]([C@@H](O)CCCC(=O)O)SC[C@H](N)C(=O)NCC(=O)O)CCCCCCC is A leukotriene that is (5S,7E,9E,11Z)-5-hydroxyicosa-7,9,11-trienoic acid in which an L-cysteinylglycinyl group is attached at position 6R via a sulfide linkage. It has the role of mouse metabolite . It has the role of xenobiotic metabolite . It has the role of rat metabolite . It is also related to or classified as organic sulfide  . It is also related to or classified as leukotriene  . It is also related to or classified as dipeptide  .
The molecule [H][C@]12C[C@@]3([H])[C@]4([H])CC[C@@]5([H])C[C@@H](O)CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)[C@@]1(CC[C@@H](C)CO1)O2 [H][C@]12C[C@@]3([H])[C@]4([H])CC[C@@]5([H])C[C@@H](O)CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)[C@@]1(CC[C@@H](C)CO1)O2 is A widely used steroidal sapogenin isolated from several plant species and used for synthesizing steroid drugs. It has the role of gout suppressant . It has the role of plant metabolite . It is also related to or classified as sapogenin  .
The molecule [13C]([13C@@H]([13C@H]([13C@@H]([13C@@H]([13CH2]O)O)O)O)O)(=O)[H] [13C]([13C@@H]([13C@H]([13C@@H]([13C@@H]([13CH2]O)O)O)O)O)(=O)[H] is A D-glucose in which the six carbon atoms have been replaced by the (13)C isotope. It has the role of fungal metabolite . It has the role of bacterial metabolite .  It is also related to or classified as D-glucose  . It is also related to or classified as (13)C-modified compound .
The molecule [Cl-].C[n+]1c2cc(N)ccc2cc2ccc(N)cc12 [Cl-].C[n+]1c2cc(N)ccc2cc2ccc(N)cc12 is the 10-methochloride salt of 3,6-diaminoacridine. Note that a mixture of this compound with 3,6-diaminoacridine (proflavine) is known as acriflavine or neutral acriflavine. It has the role of intercalator . It has the role of antibacterial agent . It has the role of antiseptic drug . It has the role of carcinogenic agent . It has the role of histological dye . It is also related to or classified as organic chloride salt .
The molecule C\C=C\CC(O)=O C\C=C\CC(O)=O is A pent-3-enoic acid in trans- configuration. It is also related to or classified as pent-3-enoic acid  .
The molecule C1(=CC(=O)C2=C(O1)C=C(O)C=C2)C=3C=CC=CC3 C1(=CC(=O)C2=C(O1)C=C(O)C=C2)C=3C=CC=CC3 is A hydroxyflavonoid in which the flavone nucleus is substituted at position 7 by a hydroxy group. It is also related to or classified as hydroxyflavonoid .
The molecule [H][C@]12C[C@@]3([H])[C@]4([H])CCC5CCCC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)[C@@]1(CCC(C)CO1)O2 [H][C@]12C[C@@]3([H])[C@]4([H])CCC5CCCC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)[C@@]1(CCC(C)CO1)O2 is spirostan. It is also related to or classified as steroid fundamental parent , oxaspiro compound .
The molecule O1[C@H](C(=C)C)[C@H](O)[C@@H]2[C@]3([C@@H]1CC[C@]4([C@@]3(O)CC[C@@H]5[C@@]4(C=6NC=7C=CC8=C(C7C6C5)[C@H]9[C@H](C[C@@H]9C(O)(C)C)C(C8)=C)C)C)O2 O1[C@H](C(=C)C)[C@H](O)[C@@H]2[C@]3([C@@H]1CC[C@]4([C@@]3(O)CC[C@@H]5[C@@]4(C=6NC=7C=CC8=C(C7C6C5)[C@H]9[C@H](C[C@@H]9C(O)(C)C)C(C8)=C)C)C)O2 is Secopenitrem B. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule [H][C@]12CC[C@H](C)C[NH+]1[C@@]1([H])C[C@@]3([H])[C@]4([H])CC=C5C[C@@H](O)CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@@H]2C [H][C@]12CC[C@H](C)C[NH+]1[C@@]1([H])C[C@@]3([H])[C@]4([H])CC=C5C[C@@H](O)CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@@H]2C is A tertiary ammonium ion resulting from the protonation of the tertiary amino group of solanidine. Major microspecies at pH 7.3. It is a conjugate acid of solanidine . It is also related to or classified as tertiary ammonium ion  .
The molecule C(C(C(C(C(C(C(C(C(C(C(C(C(C(=O)O)([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])([2H])([2H])[2H] C(C(C(C(C(C(C(C(C(C(C(C(C(C(=O)O)([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])([2H])([2H])[2H] is A C14 straight-chain saturated fatty acid where the aliphatic hydrogens have been replaced by deuterium atoms. It has the role of fungal metabolite . It has the role of bacterial metabolite . Its functional parent is tetradecanoic acid . It is also related to or classified as long-chain fatty acid  . It is also related to or classified as straight-chain saturated fatty acid , deuterated fatty acid .
The molecule [C@]12([C@@]3([C@@]([C@@]4(CC[C@@]5(C[C@@]4([C@H]3C(=O)O)CC5=O)O)[H])(OC1=O)C=C[C@@H]2O)[H])C [C@]12([C@@]3([C@@]([C@@]4(CC[C@@]5(C[C@@]4([C@H]3C(=O)O)CC5=O)O)[H])(OC1=O)C=C[C@@H]2O)[H])C is A gibberellin norketone in which the =O of the keto function in gibberellin A3 is replaced by a =CH2 methylidene group. Its functional parent is gibberellin A3 . It is also related to or classified as gibberellin norketone .
The molecule CC(CCC[C@@H](/C=C/[C@H]1[C@H]2C[C@@H]([C@@H]1C/C=C\\CCCC(=O)O)OO2)O)O is a prostaglandin H that consists of prostaglandin H2 bearing an additional hydroxy substituent at position 19. It has a role as a human xenobiotic metabolite. It is a prostaglandins H, a bridged compound, an olefinic compound, an organic peroxide, an oxylipin and a secondary alcohol. It derives from a prostaglandin H2. It is a conjugate acid of a 19-hydroxyprostaglandin H2(1-).
The molecule [O-]Cl(=O)(=O)=O.CCN1c2cc3Oc4cc5=[N+](CC)C(C)(C)C=Cc5cc4=C(c3cc2C(C)=CC1(C)C)c1cc(ccc1C(O)=O)C(O)=O [O-]Cl(=O)(=O)=O.CCN1c2cc3Oc4cc5=[N+](CC)C(C)(C)C=Cc5cc4=C(c3cc2C(C)=CC1(C)C)c1cc(ccc1C(O)=O)C(O)=O is ATTO 590 para-isomer. It has the role of fluorochrome . It is also related to or classified as ATTO 590 .
The molecule C1=CC=C(C=C1)C[C@@H](C(=O)NC2=CC3=CC=CC=C3C=C2)NC(=O)C4=CC=CC=C4 is an N-{1-[(naphthalen-2-yl)amino]-1-oxo-3-phenylpropan-2-yl}benzamide that is the amide obtained by formal condensation of the carboxy group of N-benzoyl-L-phenylalanine with the amino group of 2-aminonaphthalene. It has a role as a chromogenic compound. It is a N-{1-[(naphthalen-2-yl)amino]-1-oxo-3-phenylpropan-2-yl}benzamide and a L-phenylalanine derivative. It is an enantiomer of a N-benzoyl-D-phenylalanine 2-naphthylamide.
The molecule C1[C@@H]2[C@H]([C@H](N2C(=O)CN1)CO)C3=CC=C(C=C3)Br C1[C@@H]2[C@H]([C@H](N2C(=O)CN1)CO)C3=CC=C(C=C3)Br is (6S,7R,8S)-7-(4-bromophenyl)-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule CC(C)(C)CN(C1CCS(=O)(=O)C1)C(=O)CCl CC(C)(C)CN(C1CCS(=O)(=O)C1)C(=O)CCl is A sulfone that is thiolane substituted by two oxo groups at position 1 and by a (chloroacetyl)(2,2-dimethylpropyl)amino group at position 3. It is a covalent inhibitor of Pin1 (Ki = 17 nM) that inhibits Myc-driven tumors in vivo. It has the role of antineoplastic agent . It has the role of EC 5.2.* (cis-trans-isomerase) inhibitor . 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 organochlorine compound  . It is also related to or classified as tetrahydrothiophenes .
The molecule CCC1=CN=C(S1)N2[C@H]([C@@H]([C@H]2C#N)C3=CC=C(C=C3)C4=CCCCC4)CO CCC1=CN=C(S1)N2[C@H]([C@@H]([C@H]2C#N)C3=CC=C(C=C3)C4=CCCCC4)CO is (2S,3R,4R)-3-[4-(1-cyclohexenyl)phenyl]-1-(5-ethyl-2-thiazolyl)-4-(hydroxymethyl)-2-azetidinecarbonitrile. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule C[C@H]1[C@@H](CN(C(=O)C2=CC=CC(=C2OCC[C@H]3CC[C@H]([C@@H](O3)CN(C1=O)C)OC)C#N)C)OC C[C@H]1[C@@H](CN(C(=O)C2=CC=CC(=C2OCC[C@H]3CC[C@H]([C@@H](O3)CN(C1=O)C)OC)C#N)C)OC is LSM-41915. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule Clc1ccccc1 Clc1ccccc1 is the simplest member of the class of monochlorobenzenes, that is benzene in which a single hydrogen has been substituted by a chlorine. It has the role of solvent . It is also related to or classified as monochlorobenzenes .
The molecule [C@@]1([C@@]2([C@@]([C@@]3(CC[C@@]4(C[C@@]3([C@H]2C(=O)O)CC4=C)O)[H])(C)CC[C@@H]1O)[H])(C)C(=O)O [C@@]1([C@@]2([C@@]([C@@]3(CC[C@@]4(C[C@@]3([C@H]2C(=O)O)CC4=C)O)[H])(C)CC[C@@H]1O)[H])(C)C(=O)O is A C20-gibberellin, initially identified in Lupinus luteus, that is gibberellin A12 in which extra hydroxy substituents are present at the 2beta- and 7alpha-positions. It has the role of plant metabolite . Its functional parent is gibberellin A12 . It is also related to or classified as C20-gibberellin , dicarboxylic acid .
The molecule C[C@@H]([C@H]1C(=O)N=C(O1)N)C2=CNC3=CC=CC=C32 is a member of the class of 1,3-oxazoles that is 1,3-oxazol-4(5H)-one which is substituted at the 2 and 5-pro-S positions by amino and [(1R)-1-(1H-indol-3-yl)ethyl] groups, respectively. It has a role as a bacterial metabolite. It is a member of indoles, a member of 1,3-oxazoles and a primary amino compound. It is a conjugate base of a N-demethylindolmycin(1+).
The molecule [H][C@]12SCC(COC)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\c1csc(N)n1)C(=O)OC(C)OC(=O)OC(C)C [H][C@]12SCC(COC)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\c1csc(N)n1)C(=O)OC(C)OC(=O)OC(C)C is the 1-[(isopropoxycarbonyl)oxy]ethyl (proxetil) ester prodrug of cefpodoxime. After swallowing, hydrolysis of the ester group occurs in the intestinal epithelium, to release active cefpodoxime in the bloodstream. It is used to treat acute otitis media, pharyngitis, and sinusitis. It has the role of antibacterial drug . It has the role of prodrug . Its functional parent is cefpodoxime . Its functional parent is 4-{((R)-2-Carboxy-3-methoxymethyl-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-en-7-ylcarbamoyl)-[(Z)-methoxyimino]-methyl}-thiazol-2-yl-ammonium . It is also related to or classified as cephalosporin  . It is also related to or classified as carboxylic ester  . It is also related to or classified as carboxylic acid  .
The molecule [Be] is alkaline earth metal atom with atomic number 4. It has a role as a carcinogenic agent, an adjuvant and an epitope. It is an alkaline earth metal atom and a metal allergen.
The molecule S1SS[C@]23N([C@@H]4[C@@H](OC(=O)C(C(O)C(CC)C)C)C=COC=C4C2)C([C@@]5(S1)N([C@@H]6C(OC(=O)C(C(O)C(CC)C)C)C=COC=C6C5)C3=O)=O S1SS[C@]23N([C@@H]4[C@@H](OC(=O)C(C(O)C(CC)C)C)C=COC=C4C2)C([C@@]5(S1)N([C@@H]6C(OC(=O)C(C(O)C(CC)C)C)C=COC=C6C5)C3=O)=O is SCH-64877. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule S(=O)(=O)(NC1CCC(CC1)C(=O)NC2=NC=C(C=C2)C(F)(F)F)C(C)(C)C S(=O)(=O)(NC1CCC(CC1)C(=O)NC2=NC=C(C=C2)C(F)(F)F)C(C)(C)C is Velneperit. Its functional parent is delta-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule OC[C@H]1O[C@@H](O[C@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O OC[C@H]1O[C@@H](O[C@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O is A glycosylgalactose comprising two galactose units joined via an beta-(1->4) linkage. It is also related to or classified as glycosylgalactose .
The molecule O1C(C(O)C(O)C(O)C1OC(=O)/C=C/C2=CC(OC)=C(O)C=C2)CO O1C(C(O)C(O)C(O)C1OC(=O)/C=C/C2=CC(OC)=C(O)C=C2)CO is 1-O-Feruloylglucose. Its functional parent is hydroxycinnamic acid . It is also related to or classified as glycoside  .
The molecule [C@]12([C@@]3([C@@]([C@@]4(CC[C@@H]5C[C@@]4([C@H]3C(=O)O)C[C@@]5(C)O)[H])(OC1=O)CCC2)[H])C [C@]12([C@@]3([C@@]([C@@]4(CC[C@@H]5C[C@@]4([C@H]3C(=O)O)C[C@@]5(C)O)[H])(OC1=O)CCC2)[H])C is A C19-gibberellin, initially identified in Gibberella fujikuroi. It differs from gibberellin A1 in the absence of the beta-OH at C-9 and the alpha-OH at C-7, the substitution of the methylene group at C-8 by a beta-Me and the presence of an alpha-OH also at C-8 (all gibbane skeletal numberings). It has the role of plant metabolite .  It is also related to or classified as lactone  . It is also related to or classified as C19-gibberellin , gibberellin monocarboxylic acid .
The molecule CCCCCSCC(=O)O is a C7 sulfur-containing carboxylic acid. It is a sulfur-containing carboxylic acid and a carboxylic acid. It derives from an octanoic acid.
The molecule C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3CC3)C(=O)N(C[C@@H]1OC)C)C)C(=O)C4=NC=CN=C4 C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3CC3)C(=O)N(C[C@@H]1OC)C)C)C(=O)C4=NC=CN=C4 is N-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[oxo(2-pyrazinyl)methyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C[C@H]1C[NH+]([C@@H]2CC3=C(NC4=CC=CC(=C34)[C@H]2[C@H]1OC(=O)C)C(C)(C)C=C)C is an ammonium ion obtained by the protonation of the tertiary amino group of fumigaclavine C; major species at pH 7.3. It is an ammonium ion derivative and an organic cation. It is a conjugate acid of a fumigaclavine C.
The molecule O=C1OC=C2[C@H](O)[C@H]3OC([C@@]4([C@H]3[C@@](C2=C1)(CCC4)C)C)=O O=C1OC=C2[C@H](O)[C@H]3OC([C@@]4([C@H]3[C@@](C2=C1)(CCC4)C)C)=O is Oidiolactone L. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule O=C1N2[C@@H](C=C(C)C)[C@]3(C(=O)NC4=C3C=CC(=C4)OC)C[C@H]2C(=O)N5[C@H]1CCC5 O=C1N2[C@@H](C=C(C)C)[C@]3(C(=O)NC4=C3C=CC(=C4)OC)C[C@H]2C(=O)N5[C@H]1CCC5 is Spirotryprostatin A. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CCC(=O)N1C[C@@H]([C@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)C3CC3)OC[C@H]1C)C)OC)C CCC(=O)N1C[C@@H]([C@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)C3CC3)OC[C@H]1C)C)OC)C is N-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(1-oxopropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule O[C@@H](C[C@H](O)C(O)=O)[C@H](O)CO O[C@@H](C[C@H](O)C(O)=O)[C@H](O)CO is A hexonic acid that is 6-hydroxyhexanoic acid carrying a hydroxy group at positions 2S, 4S and 5R. It has the role of plant metabolite . It has the role of human metabolite . It is also related to or classified as hexonic acid .
The molecule Cln1c(=O)n(Cl)c(=O)n(Cl)c1=O Cln1c(=O)n(Cl)c(=O)n(Cl)c1=O is 1,3,5-trichloro-1,3,5-triazinane-2,4,6-trione. It is also related to or classified as organochlorine compound  . It is also related to or classified as 1,3,5-triazinanes .
The molecule [C@]12([C@@]3([C@@]([C@@]4(CC[C@@]5(C[C@@]4([C@H]3C(=O)O)[C@@H](C5=C)O)O)[H])(OC1=O)C=C[C@@H]2O)[H])C [C@]12([C@@]3([C@@]([C@@]4(CC[C@@]5(C[C@@]4([C@H]3C(=O)O)[C@@H](C5=C)O)O)[H])(OC1=O)C=C[C@@H]2O)[H])C is A C19-gibberellin differing from gibberellin A3 in the presence of a beta-OH at C-9 (gibbane numbering) (C-15 gibberellin numbering).  It is also related to or classified as lactone  . It is also related to or classified as C19-gibberellin , gibberellin monocarboxylic acid .
The molecule C1=CC(=CC=C1[N+](=O)[O-])OC2=C(C=C(C=C2Cl)Cl)Cl is an aromatic ether, a member of chlorobenzenes and a C-nitro compound. It has a role as an EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor and a herbicide.
The molecule OC[C@H]1O[C@H](OC[C@H]2O[C@H](OC[C@H]3O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O OC[C@H]1O[C@H](OC[C@H]2O[C@H](OC[C@H]3O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O is A glucotriose consisting of two alpha-D-glucose residues and a beta-D-glucose at the reducing end in a linear sequence and joined by (1->6) linkages. It has the role of epitope . It is also related to or classified as glucotriose .
The molecule CCCCC(C(=O)[O-])O is a hydroxy fatty acid anion which is obtained by deprotonation of the carboxy group of 2-hydroxyhexanoic acid. It has a role as an animal metabolite. It is a 2-hydroxy fatty acid anion and a medium-chain fatty acid anion. It is a conjugate base of a 2-hydroxyhexanoic acid.
The molecule CCOP(=S)(OCC)OC1=NC(=NC(=C1)C)C(C)C is a member of the class of pyrimidines that is pyrimidine carrying an isopropyl group at position 2, a methyl group at position 6 and a (diethoxyphosphorothioyl)oxy group at position 4. It has a role as an agrochemical, an acaricide, an EC 3.1.1.8 (cholinesterase) inhibitor, a nematicide, an EC 3.1.1.7 (acetylcholinesterase) inhibitor, a xenobiotic and an environmental contaminant. It is an organic thiophosphate and a member of pyrimidines. It derives from a 2-isopropyl-6-methylpyrimidin-4-ol.
The molecule OC(=O)CC(O)(CC(O)=O)C(O)=O.C(CN1CCCC1)OC1=C2COC\C=C\COCC3=CC=CC(=C3)C3=CC=NC(NC(C=C1)=C2)=N3 OC(=O)CC(O)(CC(O)=O)C(O)=O.C(CN1CCCC1)OC1=C2COC\C=C\COCC3=CC=CC(=C3)C3=CC=NC(NC(C=C1)=C2)=N3 is the citrate salt of pacritinib. It has the role of antineoplastic agent . It has the role of EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor . It is also related to or classified as citrate salt .
The molecule [C@]12([C@@]3([C@@]([C@@]4(CC[C@@]5(C[C@@]4([C@H]3C(=O)O)[C@@H](C5=C)O)O)[H])(OC1=O)CC[C@@H]2O)[H])C [C@]12([C@@]3([C@@]([C@@]4(CC[C@@]5(C[C@@]4([C@H]3C(=O)O)[C@@H](C5=C)O)O)[H])(OC1=O)CC[C@@H]2O)[H])C is A C19-gibberellin, initially identified in Helianthus annuus. It differs from gibberellin A1 in the presence of a beta-OH at C-9 (gibbane numbering). It has the role of plant metabolite .  It is also related to or classified as lactone  . It is also related to or classified as C19-gibberellin , gibberellin monocarboxylic acid .