anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C[C@@H]1O[C@@H](OCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP([O-])([O-])=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O C[C@@H]1O[C@@H](OCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP([O-])([O-])=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O is conjugate base of bkos#20-CoA. It is also related to or classified as organic molecular entity .
The molecule COc1ccc2c(c[n+](C)c3c4cc5OCOc5cc4ccc23)c1OC COc1ccc2c(c[n+](C)c3c4cc5OCOc5cc4ccc23)c1OC is A benzophenanthridine alkaloid isolated from the root of Zanthoxylum simulans, Chelidonium majus L., and other Papaveraceae. It has the role of antibacterial agent . It has the role of antineoplastic agent . It has the role of EC 2.7.11.13 (protein kinase C) inhibitor . It is also related to or classified as organic cation , benzophenanthridine alkaloid .
The molecule O1C([C@H]2O[C@@H]3[C@@]4([C@@]5(O)[C@]([C@]6(C=7NC=8C=C(CC(O)C(O)(C)C)C=CC8C7C[C@@H]6CC5)C)(C)CC3)[C@@H]([C@@H]2O[C@@H]1C(O)C(O)(C)C)O4)(C)C O1C([C@H]2O[C@@H]3[C@@]4([C@@]5(O)[C@]([C@]6(C=7NC=8C=C(CC(O)C(O)(C)C)C=CC8C7C[C@@H]6CC5)C)(C)CC3)[C@@H]([C@@H]2O[C@@H]1C(O)C(O)(C)C)O4)(C)C is TC-705A. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule C[C@@H]1O[C@@H](OCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O C[C@@H]1O[C@@H](OCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O is coA ester of bkos#20. It is also related to or classified as organic molecular entity .
The molecule [H][C@]12[C@@H](O)Cc3cc4OCOc4cc3[C@@]1([H])N(C)Cc1c3OCOc3ccc21 [H][C@]12[C@@H](O)Cc3cc4OCOc4cc3[C@@]1([H])N(C)Cc1c3OCOc3ccc21 is chelidonine. It is also related to or classified as alkaloid fundamental parent , benzophenanthridine alkaloid , alkaloid antibiotic .
The molecule O(C(C(OC(=O)CC(CC(O)=O)C(O)=O)C(CCCC)C)CC(CCCCCCC(O)CC(O)C([N+]=1C=C(O)C=CC1)C)C)C(=O)CC(CC(O)=O)C(O)=O O(C(C(OC(=O)CC(CC(O)=O)C(O)=O)C(CCCC)C)CC(CCCCCCC(O)CC(O)C([N+]=1C=C(O)C=CC1)C)C)C(=O)CC(CC(O)=O)C(O)=O is Fumonisin FP2. Its functional parent is pentacarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule O=C1NC(=CC=2C1=C(O)C=3C4=C(O)C=5C(=O)C6=C(C(O)=C(OC)C=C6O)C(C5C(=C4CCC3C2)O)=O)/C=C/C=C/C O=C1NC(=CC=2C1=C(O)C=3C4=C(O)C=5C(=O)C6=C(C(O)=C(OC)C=C6O)C(C5C(=C4CCC3C2)O)=O)/C=C/C=C/C is Fredericamycin B. It is also related to or classified as quinone  . It is also related to or classified as tetracenes .
The molecule CCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCC CCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCC is A palmitate ester resulting from the formal condensation of palmitic acid with dodecan-1-ol. It is A wax ester synthesised by retinal pigment epithelial membranes. It has the role of metabolite . Its functional parent is dodecan-1-ol . It is also related to or classified as wax ester  . It is also related to or classified as hexadecanoate ester  .
The molecule C[C@@H]1O[C@@H](OCCCCCCCCCC(=O)CC([O-])=O)[C@H](O)C[C@H]1O C[C@@H]1O[C@@H](OCCCCCCCCCC(=O)CC([O-])=O)[C@H](O)C[C@H]1O is conjugate base of bkos#20. It is also related to or classified as organic molecular entity .
The molecule C[C@H]([NH3+])C([O-])=O C[C@H]([NH3+])C([O-])=O is zwitterionic form of L-alanine arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3. It is also related to or classified as alanine zwitterion  .
The molecule O=C(O)CCCCCCCC1=C(C=C(C)C=C1)CC=C O=C(O)CCCCCCCC1=C(C=C(C)C=C1)CC=C is Solwaric acid A. It is also related to or classified as medium-chain fatty acid  .
The molecule C[C@@H]1O[C@@H](OCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP([O-])([O-])=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O C[C@@H]1O[C@@H](OCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP([O-])([O-])=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O is conjugate base of bkos#1-CoA. It is also related to or classified as organic molecular entity .
The molecule C[C@H](C[NH+]1CCCC1)C(=O)C1=CC=C(C=C1)C(F)(F)F C[C@H](C[NH+]1CCCC1)C(=O)C1=CC=C(C=C1)C(F)(F)F is A tertiary ammonium ion that is the conjugate acid of lanperisone resulting from the protonation of the pyrrolidine nitrogen. Major microspecies at pH 7.3. It is a conjugate acid of lanperisone . It is also related to or classified as tertiary ammonium ion  .
The molecule O=C1OC[C@@H]2C=C[C@H]3[C@H]([C@@]2([C@]1(O)CO)C)CC[C@H](C3)C O=C1OC[C@@H]2C=C[C@H]3[C@H]([C@@]2([C@]1(O)CO)C)CC[C@H](C3)C is Oblongolide W2. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule C[C@@H]1O[C@@H](OCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O C[C@@H]1O[C@@H](OCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O is coA ester of bkos#1. It is also related to or classified as organic molecular entity .
The molecule CC(Oc1cc(Cl)c(Cl)cc1Cl)C(O)=O CC(Oc1cc(Cl)c(Cl)cc1Cl)C(O)=O is Fenoprop. It has the role of phenoxy herbicide . It is also related to or classified as monocarboxylic acid .
The molecule Oc1ccc(cc1)-c1cc(=O)c2ccc(O)cc2o1 Oc1ccc(cc1)-c1cc(=O)c2ccc(O)cc2o1 is A dihydroxyflavone in which the two hydroxy substituents are located at positions 4' and 7. It has the role of metabolite . It is also related to or classified as dihydroxyflavone .
The molecule COc1ccc(cc1O)-c1cc(=O)c2c(O)c(OC)c(O)c(OC)c2o1 COc1ccc(cc1O)-c1cc(=O)c2c(O)c(OC)c(O)c(OC)c2o1 is A trihydroxyflavone that is 5,7,3'-trihydroxyflavone with methoxy substituents at positions 6, 8 and 4' respectively. It has the role of metabolite . It is also related to or classified as trihydroxyflavone , trimethoxyflavone .
The molecule O=C1O[C@@]23C(=O)N[C@H]([C@@H]2[C@H](C)C(=C[C@@H]3C=C(CCC[C@@H](C=C1)O)C)C)CC(C)C O=C1O[C@@]23C(=O)N[C@H]([C@@H]2[C@H](C)C(=C[C@@H]3C=C(CCC[C@@H](C=C1)O)C)C)CC(C)C is Aspochalasin J. It has the role of fungal metabolite . It is also related to or classified as cytochalasin .
The molecule CO[C@H]1CC=C2CCN3CCC4=C(CC(=O)OC4)[C@]23C1 CO[C@H]1CC=C2CCN3CCC4=C(CC(=O)OC4)[C@]23C1 is an organic heterotetracyclic compound resulting from the partial hydrogenation of the 1,3-diene moiety of beta-erythroidine to give the corresponding 2-ene. It has the role of nicotinic antagonist . Its functional parent is beta-erythroidine . It is also related to or classified as delta-lactone  . It is also related to or classified as organic heterotetracyclic compound , tertiary amino compound .
The molecule C[C@@H]1O[C@@H](OCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP([O-])([O-])=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O C[C@@H]1O[C@@H](OCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP([O-])([O-])=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O is conjugate base of bkos#18-CoA. It is also related to or classified as organic molecular entity .
The molecule OC(=O)C1=CC=C(CN2CCC(CN[C@@H]3C[C@H]3C3=CC=CC=C3)CC2)C=C1 OC(=O)C1=CC=C(CN2CCC(CN[C@@H]3C[C@H]3C3=CC=CC=C3)CC2)C=C1 is A member of the class of piperidines that is piperidine substituted by (4-carboxyphenyl)methyl and {[(1R,2S)-2-phenylcyclopropyl]amino}methyl groups at positions 1 and 4, respectively. It is a potent and irreversible inhibitor of lysine specific demethylase 1 (LSD1, also known as KDM1A). It was under clinical investigation for the treatment of acute myeloid leukaemia and small cell lung carcinoma. It has the role of EC 1.14.99.66 (lysine-specific histone demethylase 1A) inhibitor . It has the role of antineoplastic agent . It is also related to or classified as benzoic acids , monocarboxylic acid , piperidines , secondary amino compound , tertiary amino compound , cyclopropanes , benzenes .
The molecule C1=CC(C([C@]2([C@]1([C@@]3([C@@]([C@@H](C2)OC(C)=O)(C=4[C@@](CC3)([C@@](CC4)(C(CO)C[C@H]([C@H]5C(C)(C)O5)O)[H])C)C)[H])C)[H])(C)C)=O C1=CC(C([C@]2([C@]1([C@@]3([C@@]([C@@H](C2)OC(C)=O)(C=4[C@@](CC3)([C@@](CC4)(C(CO)C[C@H]([C@H]5C(C)(C)O5)O)[H])C)C)[H])C)[H])(C)C)=O is (1S,3bR,4R,5aR,9aR,9bR,11aS)-1-[(4R)-5-[(2S)-3,3-dimethyloxiran-2-yl]-1,4-dihydroxybutan-2-yl]-3b,6,6,9a,11a-pentamethyl-7-oxo-1H,2H,3bH,4H,5H,5aH,6H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-4-yl acetate.  It is also related to or classified as epoxide  .  It is also related to or classified as acetate ester  . It is also related to or classified as tetracyclic triterpenoid , organic heteropentacyclic compound .
The molecule O=C1C(C2=C(O)C=C(O)C=3C2=CC=4O[C@@H](C)CC(C4C3O)=O)=C5C(=C(O)C6=C(O)C(C)=C(OC6=C5)C)C(=C1)O O=C1C(C2=C(O)C=C(O)C=3C2=CC=4O[C@@H](C)CC(C4C3O)=O)=C5C(=C(O)C6=C(O)C(C)=C(OC6=C5)C)C(=C1)O is Ustilaginoidin O. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule C[C@@H]1O[C@@H](OCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O C[C@@H]1O[C@@H](OCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O is coA ester of bkos#18. It is also related to or classified as organic molecular entity .
The molecule Cc1cc(O)ccc1[N+]([O-])=O Cc1cc(O)ccc1[N+]([O-])=O is A C-nitro compound in which the nitro group is attached at C-4 of m-cresol. Its functional parent is m-cresol . It is also related to or classified as 4-nitrophenols .
The molecule CC(CN1CCCC1)C(=O)C1=CC=C(C=C1)C(F)(F)F CC(CN1CCCC1)C(=O)C1=CC=C(C=C1)C(F)(F)F is an aromatic ketone that is (trifluoromethyl)benzene in which the hydrogen at position 4 is replaced by a 2-methyl-3-(pyrrolidin-1-yl)propanoyl group. It is also related to or classified as pyrrolidines , tertiary amino compound , aromatic ketone , (trifluoromethyl)benzenes .
The molecule O=C1C2=C(C(O)=CC=C2)C(=O)[C@@H]3[C@]1([C@H]4OC(=O)C[C@H]4O[C@]35O[C@H](CC([C@@H]5O)=O)C)CC(=O)C O=C1C2=C(C(O)=CC=C2)C(=O)[C@@H]3[C@]1([C@H]4OC(=O)C[C@H]4O[C@]35O[C@H](CC([C@@H]5O)=O)C)CC(=O)C is Griseusin G. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule C[C@@H]1O[C@@H](OCCCCCCCCC(=O)CC([O-])=O)[C@H](O)C[C@H]1O C[C@@H]1O[C@@H](OCCCCCCCCC(=O)CC([O-])=O)[C@H](O)C[C@H]1O is conjugate base of bkos#18. It is also related to or classified as organic molecular entity .
The molecule CC(=C)C1CCC(C(=O)C1)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CC(=C)C1CCC(C(=O)C1)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 is A 3-oxoacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 4-isopropenyl-2-oxocyclohexane-1-carboxylic acid. It has the role of mouse metabolite . Its functional parent is cyclohexane-1-carbonyl-CoA . It is also related to or classified as 3-oxo-fatty acyl-CoA  . It is also related to or classified as acyl-CoA  .
The molecule C[C@H]([NH3+])C(O)=O C[C@H]([NH3+])C(O)=O is the L-enantiomer of alaninium. It has the role of fundamental metabolite . It is a conjugate acid of L-alanine . It is also related to or classified as alaninium  .
The molecule O=C1C(=C(OC)C2=C(O)C3=C(O)C=C(OC3=CC2=C1)C)C4=C5O[C@](O)(CC(C5=C(O)C=6C4=CC(OC)=CC6OC)=O)C O=C1C(=C(OC)C2=C(O)C3=C(O)C=C(OC3=CC2=C1)C)C4=C5O[C@](O)(CC(C5=C(O)C=6C4=CC(OC)=CC6OC)=O)C is Nigerasperone C. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule CC(C)OC(=O)CCCCC(=O)OC(C)C CC(C)OC(=O)CCCCC(=O)OC(C)C is Diisopropyl adipate. It is also related to or classified as isopropyl ester  . It is also related to or classified as fatty acid ester  .
The molecule C[C@@H]1O[C@@H](OCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP([O-])([O-])=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O C[C@@H]1O[C@@H](OCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP([O-])([O-])=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O is conjugate base of bkos#16-CoA. It is also related to or classified as organic molecular entity .
The molecule CC(C)CCCCCOC(=O)c1ccccc1C(=O)OCCCCCC(C)C CC(C)CCCCCOC(=O)c1ccccc1C(=O)OCCCCCC(C)C is Diisooctyl phthalate.  It is also related to or classified as diester  . It is also related to or classified as phthalate ester .
The molecule S1SC[C@H]2N(C[C@@H]3N([C@@H]([C@H]4N=C(C5=C(O)C=CC=C5)OC4)SC3)C)C([C@@H](C1)N(C[C@@H]6N([C@H]([C@H]7N=C(C8=C(O)C=CC=C8)OC7)SC6)C)C2=O)=O S1SC[C@H]2N(C[C@@H]3N([C@@H]([C@H]4N=C(C5=C(O)C=CC=C5)OC4)SC3)C)C([C@@H](C1)N(C[C@@H]6N([C@H]([C@H]7N=C(C8=C(O)C=CC=C8)OC7)SC6)C)C2=O)=O is Tetroazolemycin B. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule COP(=S)(OC)Oc1ccc(c(C)c1)[N+]([O-])=O COP(=S)(OC)Oc1ccc(c(C)c1)[N+]([O-])=O is an organic thiophosphate that is O,O-dimethyl O-phenyl phosphorothioate substituted by a methyl group at position 3 and a nitro group at position 4. It has the role of acaricide . It has the role of insecticide . It has the role of agrochemical . It has the role of EC 3.1.1.8 (cholinesterase) inhibitor . It has the role of EC 3.1.1.7 (acetylcholinesterase) inhibitor . Its functional parent is 4-nitro-m-cresol . It is also related to or classified as C-nitro compound , organic thiophosphate .
The molecule C[C@@H]1O[C@@H](OCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O C[C@@H]1O[C@@H](OCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O is coA ester of bkos#16. It is also related to or classified as organic molecular entity .
The molecule CC(C)=CCC\C(C)=C/CC[C@@](C)(O)C=C CC(C)=CCC\C(C)=C/CC[C@@](C)(O)C=C is A (6Z)-nerolidol in which the hydroxy group at positon 3 adopts an R-configuration. It is also related to or classified as (6Z)-nerolidol  .
The molecule C[C@H](O)C(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N C[C@H](O)C(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N is major microspecies at pH 7.3. Its functional parent is adenosine 5'-monophosphate . Its functional parent is (S)-lactate . It is also related to or classified as organophosphate oxoanion .
The molecule CCC=CCC=O CCC=CCC=O is A hexenal carrying an unsaturation at position 3. It is also related to or classified as hexenal .
The molecule C[C@@H]1O[C@@H](OCCCCCCCC(=O)CC([O-])=O)[C@H](O)C[C@H]1O C[C@@H]1O[C@@H](OCCCCCCCC(=O)CC([O-])=O)[C@H](O)C[C@H]1O is conjugate base of bkos#16. It is also related to or classified as organic molecular entity .
The molecule O(C(C(OC(=O)CC(CC(O)=O)C(O)=O)C(CCCC)C)CC(CC(O)CCCCCCC(O)C([N+]=1C=C(O)C=CC1)C)C)C(=O)CC(CC(O)=O)C(O)=O O(C(C(OC(=O)CC(CC(O)=O)C(O)=O)C(CCCC)C)CC(CC(O)CCCCCCC(O)C([N+]=1C=C(O)C=CC1)C)C)C(=O)CC(CC(O)=O)C(O)=O is Fumonisin FP3. Its functional parent is pentacarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule O=C(OC)C1=C(C=C(CCC)N=C1)/C=C(/C(=O)C)\CC(=O)CCCCCCC O=C(OC)C1=C(C=C(CCC)N=C1)/C=C(/C(=O)C)\CC(=O)CCCCCCC is methyl 4-[(E)-2-acetyl-4-oxoundec-1-enyl]-6-propylnicotinate. It is also related to or classified as pyridines , aromatic carboxylic acid .
The molecule C[C@@H]1O[C@@H](OCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP([O-])([O-])=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O C[C@@H]1O[C@@H](OCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP([O-])([O-])=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O is conjugate base of bkos#14-CoA. It is also related to or classified as organic molecular entity .
The molecule CS(=O)c1ccc(O)cc1 CS(=O)c1ccc(O)cc1 is 4-(methylsulfinyl)phenol. It is also related to or classified as sulfoxide  . It is also related to or classified as phenols  .
The molecule CC(C)=CCC\C(C)=C/CC[C@](C)(O)C=C CC(C)=CCC\C(C)=C/CC[C@](C)(O)C=C is A (6Z)-nerolidol in which the hydroxy group at positon 3 adopts an S-configuration. It is also related to or classified as (6Z)-nerolidol  .
The molecule O=C1N(O)[C@H](C(=O)N[C@H]1C)CC=2C3=C(C(=CC=C3)CC=C(C)C)NC2 O=C1N(O)[C@H](C(=O)N[C@H]1C)CC=2C3=C(C(=CC=C3)CC=C(C)C)NC2 is 14-hydroxyterezine D. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule Clc1cccc(-c2c[nH]cc2C#N)c1Cl Clc1cccc(-c2c[nH]cc2C#N)c1Cl is A member of the class of pyrroles carrying cyano and 2,3-dichlorophenyl substituents at positions 3 and 4 respectively. A fungicide used mainly to control seed-borne pathogens in cereal crops. It has the role of antifungal agrochemical . It is also related to or classified as nitrile  . It is also related to or classified as dichlorobenzene  . It is also related to or classified as pyrroles .
The molecule C[C@@H]1O[C@@H](OCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O C[C@@H]1O[C@@H](OCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O is coA ester of bkos#14. It is also related to or classified as organic molecular entity .
The molecule CCOP(=S)(OCC)Oc1ccc(cc1)S(C)=O CCOP(=S)(OCC)Oc1ccc(cc1)S(C)=O is fensulfothion. It has the role of nematicide . It has the role of agrochemical . It has the role of avicide . It has the role of EC 3.1.1.7 (acetylcholinesterase) inhibitor . Its functional parent is 4-(methylsulfinyl)phenol . It is also related to or classified as sulfoxide  . It is also related to or classified as organothiophosphate insecticide , organic thiophosphate .
The molecule C[NH2+][C@H]1C[C@@H]([NH3+])[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@@H]3O[C@@]4(O[C@H](C([NH3+])CO)[C@H](O)[C@H](O)[C@H]4O)O[C@H]23)[C@@H]1O C[NH2+][C@H]1C[C@@H]([NH3+])[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@@H]3O[C@@]4(O[C@H](C([NH3+])CO)[C@H](O)[C@H](O)[C@H]4O)O[C@H]23)[C@@H]1O is an ammonium ion that is the trication of hygromycin B arising from protonation of the three amino groups; major species at pH 7.3. It is a conjugate acid of hygromycin B . It is also related to or classified as ammonium ion derivative .
The molecule O=C1O[C@@H](C(=O)N(CC(=O)NC2=C(C(NC3=C1C=CC=C3)=O)C=CC=C2)C)CC4=CC=CC=C4 O=C1O[C@@H](C(=O)N(CC(=O)NC2=C(C(NC3=C1C=CC=C3)=O)C=CC=C2)C)CC4=CC=CC=C4 is Clavatustide B. It is also related to or classified as lactam  . It is also related to or classified as macrolide  .
The molecule C[C@@H]1O[C@@H](OCCCCCC(=O)CC([O-])=O)[C@H](O)C[C@H]1O C[C@@H]1O[C@@H](OCCCCCC(=O)CC([O-])=O)[C@H](O)C[C@H]1O is conjugate base of bkos#14. It is also related to or classified as organic molecular entity .
The molecule C1=CC(C([C@]2([C@]1([C@@]3([C@@]([C@@H](C2)OC(C)=O)(C=4[C@@](CC3)([C@@](CC4)([C@@H]5C[C@@H](O[C@H]5OC(C)=O)[C@H]6C(C)(C)O6)[H])C)C)[H])C)[H])(C)C)=O C1=CC(C([C@]2([C@]1([C@@]3([C@@]([C@@H](C2)OC(C)=O)(C=4[C@@](CC3)([C@@](CC4)([C@@H]5C[C@@H](O[C@H]5OC(C)=O)[C@H]6C(C)(C)O6)[H])C)C)[H])C)[H])(C)C)=O is 7-acetyl-epi-neemfruitin B.  It is also related to or classified as epoxide  . It is also related to or classified as acetate ester  . It is also related to or classified as tetracyclic triterpenoid , organic heterohexacyclic compound .
The molecule C[C@@H](O)[C@@H]([NH3+])[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@@H](OP(OP(=O)([O-])OC[C@H]2O[C@@H](N3C=4N=C(N)NC(=O)C4N=C3)[C@H](O)[C@@H]2O)(=O)[O-])O1 C[C@@H](O)[C@@H]([NH3+])[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@@H](OP(OP(=O)([O-])OC[C@H]2O[C@@H](N3C=4N=C(N)NC(=O)C4N=C3)[C@H](O)[C@@H]2O)(=O)[O-])O1 is major microspecies at pH 7.3. It is also related to or classified as GDP-hexose  . It is also related to or classified as monosaccharide derivative .
The molecule C1[C@@H]2[NH+]3CC[C@@]42[C@H]5N(C=6C4=CC(=C(C6)OC)OC)C(C[C@H]7[C@@H]5[C@@H]1C(=CCO7)C3)=O C1[C@@H]2[NH+]3CC[C@@]42[C@H]5N(C=6C4=CC(=C(C6)OC)OC)C(C[C@H]7[C@@H]5[C@@H]1C(=CCO7)C3)=O is major microspecies at pH 7.3. It is also related to or classified as indole alkaloid cation .
The molecule S([C@@]12C(=O)C3=C(C(O)=CC=C3)C([C@@]1(O)[C@H](O[C@@H](C2)CC(=O)O)CCC)=O)C[C@H](NC(=O)C)C(=O)O S([C@@]12C(=O)C3=C(C(O)=CC=C3)C([C@@]1(O)[C@H](O[C@@H](C2)CC(=O)O)CCC)=O)C[C@H](NC(=O)C)C(=O)O is Frenolicin C. It is also related to or classified as glycoside  . It is also related to or classified as benzochromenone .
The molecule OC(=O)c1ccccc1Nc1ccccc1 OC(=O)c1ccccc1Nc1ccccc1 is an aminobenzoic acid that is the N-phenyl derivative of  anthranilic acid. It acts as a parent skeleton for the synthesis of several non-steroidal anti-inflammatory drugs. It has the role of membrane transport modulator . Its functional parent is anthranilic acid . It is also related to or classified as aminobenzoic acid , secondary amino compound .
The molecule C[C@@H]1O[C@@H](OCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP([O-])([O-])=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O C[C@@H]1O[C@@H](OCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP([O-])([O-])=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O is conjugate base of bkos#12-CoA. It is also related to or classified as organic molecular entity .
The molecule CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(c1)C(C)=O CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(c1)C(C)=O is an ether that is the 2-acetyl-4-(butanoylamino)phenyl ether of the primary hydroxy group of 3-(propan-2-ylamino)propane-1,2-diol. It has the role of sympathomimetic agent . It has the role of beta-adrenergic antagonist . It has the role of antihypertensive agent . It has the role of anti-arrhythmia drug .  It is also related to or classified as ether  . It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as propanolamine  . It is also related to or classified as ethanolamines , secondary amino compound , aromatic amide .
The molecule Cl[C@@H]1C=C2C(=O)C3=C(O)C4=C(O)C=C3C([C@]2(CC=C(CCC=C(C4)CO)C)OC1(C)C)=O Cl[C@@H]1C=C2C(=O)C3=C(O)C4=C(O)C=C3C([C@]2(CC=C(CCC=C(C4)CO)C)OC1(C)C)=O is Napyradiomycin 1. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule C[C@@H]1O[C@@H](OCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O C[C@@H]1O[C@@H](OCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O is coA ester of bkos#12. It is also related to or classified as organic molecular entity .
The molecule OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1CCC(=O)NC1=O OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1CCC(=O)NC1=O is the uridine derivative obtained by formal hydrogenation of the endocyclic double bond in the uracil ring. It has the role of biomarker . It is also related to or classified as uridines .
The molecule C[C@@H](O)[C@@H]([NH3+])[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@@H](SC=2NC=C(C[C@@H](C(=O)[O-])[N+](C)(C)C)N2)O1 C[C@@H](O)[C@@H]([NH3+])[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@@H](SC=2NC=C(C[C@@H](C(=O)[O-])[N+](C)(C)C)N2)O1 is major microspecies at pH 7.3. It is also related to or classified as quaternary ammonium ion  . It is also related to or classified as S-glycosyl compound , monosaccharide derivative .
The molecule O=C1C(C2=CC(OC3OC(C(O)C(C3O)O)C)=C(O)C=C2)=COC4=C1C=CC(=C4)O O=C1C(C2=CC(OC3OC(C(O)C(C3O)O)C)=C(O)C=C2)=COC4=C1C=CC(=C4)O is N99-596 A. It is also related to or classified as acrovestone  . It is also related to or classified as isoflavonoid .