anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C[C@@H]1O[C@@H](OCCCCCCCCCCCCCCC(=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](OCCCCCCCCCCCCCCC(=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#30-CoA. It is also related to or classified as organic molecular entity .
The molecule O.[Cl-].[Cl-].CCO.[H][C@@]12[C@@H](C)c3cccc(O)c3C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H]([NH+](C)C)[C@]1([H])[C@H]2O.[H][C@@]12[C@@H](C)c3cccc(O)c3C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H]([NH+](C)C)[C@]1([H])[C@H]2O O.[Cl-].[Cl-].CCO.[H][C@@]12[C@@H](C)c3cccc(O)c3C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H]([NH+](C)C)[C@]1([H])[C@H]2O.[H][C@@]12[C@@H](C)c3cccc(O)c3C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H]([NH+](C)C)[C@]1([H])[C@H]2O is the hemiethanolate hemihydrate of doxycycline hydrochloride. A semi-synthetic tetracycline antibiotic, it is used to inhibit bacterial protein synthesis and treat non-gonococcal urethritis and cervicitis, exacerbations of bronchitis in patients with chronic obstructive pulmonary disease (COPD), and adult periodontitis. It has the role of antibacterial drug . It is also related to or classified as hydrate .
The molecule [Cl-].[H][C@@]12[C@@H](C)c3cccc(O)c3C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H]([NH+](C)C)[C@]1([H])[C@H]2O [Cl-].[H][C@@]12[C@@H](C)c3cccc(O)c3C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H]([NH+](C)C)[C@]1([H])[C@H]2O is the hydrochloride salt of doxycycline. It has the role of geroprotector . It is also related to or classified as hydrochloride .
The molecule COCCOC(=O)C1=C(C)NC2=C(C1C1=CC=CC(O)=C1)C(=O)CC(C2)C1=CC=CC=C1OC COCCOC(=O)C1=C(C)NC2=C(C1C1=CC=CC(O)=C1)C(=O)CC(C2)C1=CC=CC=C1OC is A quinolone that is 4,6,7,8-tetrahydroquinolin-5(1H)-one substituted by methyl, (2-methoxyethoxy)carbonyl, 3-hydroxyphenyl, and 2-methoxyphenyl groups at positions 2, 3, 4, and 7, respectively. It is a Hedgehog signaling pathway inhibitor. It has the role of Hedgehog signaling pathway inhibitor . It has the role of antineoplastic agent .   It is also related to or classified as phenols  . It is also related to or classified as enoate ester  . It is also related to or classified as ether  . It is also related to or classified as quinolone , monomethoxybenzene .
The molecule BrC1=C(OC2=C(Br)C(=C(Br)C(=C2)O)C)C(Br)=C(C)C(=C1O)Br BrC1=C(OC2=C(Br)C(=C(Br)C(=C2)O)C)C(Br)=C(C)C(=C1O)Br is 4,6,2',4',6'-Pentabromo-3,3'-dihydroxy-5,5'-dimethyldiphenyl Ether.  It is also related to or classified as organobromine compound  . It is also related to or classified as aromatic ether .
The molecule C[C@@H]1O[C@@H](OCCCCCCCCCCCCCCC(=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](OCCCCCCCCCCCCCCC(=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#30. It is also related to or classified as organic molecular entity .
The molecule NC(Cc1ccc(O)c(F)c1)C(O)=O NC(Cc1ccc(O)c(F)c1)C(O)=O is 3-fluorotyrosine. Its functional parent is tyrosine . It is also related to or classified as fluorophenol , fluoroamino acid , tyrosine derivative , non-proteinogenic alpha-amino acid .
The molecule [H]OS(=O)(=O)SS(=O)(=O)O[H] [H]OS(=O)(=O)SS(=O)(=O)O[H] is trithionic acid. It is a conjugate acid of trithionate(1-) . It is also related to or classified as sulfur oxoacid .
The molecule O1[C@@]23[C@]([C@]4([C@]([C@]5([C@@]([C@](CC5)([C@@H](C/C=C/C(OC)(C)C)C)[H])(CC4)C)C)(C=C2)[H])C1)(CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@@H](O)[C@H]6O)CO)C3(C)C)[H] O1[C@@]23[C@]([C@]4([C@]([C@]5([C@@]([C@](CC5)([C@@H](C/C=C/C(OC)(C)C)C)[H])(CC4)C)C)(C=C2)[H])C1)(CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@@H](O)[C@H]6O)CO)C3(C)C)[H] is Momordicoside G.  It is also related to or classified as glycoside  . It is also related to or classified as cucurbitacin .
The molecule O1[C@@]2(OC(C)(C)[C@H]([C@H]2O)C)[C@H]([C@@H]3[C@@]4([C@@]1(C5=C(C(=C(OC)C=C5)C)CC4)CC3)C)C O1[C@@]2(OC(C)(C)[C@H]([C@H]2O)C)[C@H]([C@@H]3[C@@]4([C@@]1(C5=C(C(=C(OC)C=C5)C)CC4)CC3)C)C is Blazeispirol C. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule C[C@@H]1O[C@@H](OCCCCCCCCCCCCCCC(=O)CC([O-])=O)[C@H](O)C[C@H]1O C[C@@H]1O[C@@H](OCCCCCCCCCCCCCCC(=O)CC([O-])=O)[C@H](O)C[C@H]1O is conjugate base of bkos#30. 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)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)OC(C)=O C1(CC(C([C@]2([C@]1([C@@]3([C@@]([C@@H](C2)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)OC(C)=O is (21S)-1,21-diacetoxy-apo-melianone.  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 O=C(O)CC=1C2=C(C=CC=C2)N(C1)C3OC(C(O)C(C3O)O)CO O=C(O)CC=1C2=C(C=CC=C2)N(C1)C3OC(C(O)C(C3O)O)CO is 1-(1-b-Glucopyranosyl)-1H-indole-3-acetic acid. It is also related to or classified as N-glycosyl compound  . It is also related to or classified as indoles .
The molecule C[C@@H]1O[C@@H](OCCCCCCCCCCCCCC(=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](OCCCCCCCCCCCCCC(=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#28-CoA. It is also related to or classified as organic molecular entity .
The molecule O1C23C(C4(C(C5(C(C(CC5)C(C/C=C/C(O)(C)C)C)(CC4)C)C)C=C2)C1OC)CCC(OC6OC(C(O)C(O)C6O)CO)C3(C)C O1C23C(C4(C(C5(C(C(CC5)C(C/C=C/C(O)(C)C)C)(CC4)C)C)C=C2)C1OC)CCC(OC6OC(C(O)C(O)C6O)CO)C3(C)C is Goyaglycoside a.  It is also related to or classified as glycoside  . It is also related to or classified as cucurbitacin .
The molecule [H][C@@]12C[C@@H](O)CN1C(=O)[C@@H](NC(=O)[C@H](C[C@@H](O)[C@H](NC(=O)[C@]1([H])[C@@H](O)[C@@H](C)CN1C(=O)[C@@H](NC(=O)[C@@H](NC2=O)[C@H](O)[C@@H](O)C1=CC=C(O)C=C1)[C@@H](C)O)OCC[N+](C)(C)C)NC(=O)C1=CC=C(C=C1)C1=CC=C(C=C1)C1=CC=C(OCCCCC)C=C1)[C@@H](C)O [H][C@@]12C[C@@H](O)CN1C(=O)[C@@H](NC(=O)[C@H](C[C@@H](O)[C@H](NC(=O)[C@]1([H])[C@@H](O)[C@@H](C)CN1C(=O)[C@@H](NC(=O)[C@@H](NC2=O)[C@H](O)[C@@H](O)C1=CC=C(O)C=C1)[C@@H](C)O)OCC[N+](C)(C)C)NC(=O)C1=CC=C(C=C1)C1=CC=C(C=C1)C1=CC=C(OCCCCC)C=C1)[C@@H](C)O is A member of the family of echinocandins that inhibits 1,3-beta-D-glucan synthase. It is developed by Cidara Therapeutics and approved for the treatment of candidaemia and invasive candidiasis in patients aged >= 18 years who have limited or no alternative treatment options.  It is also related to or classified as quaternary ammonium ion  . It is also related to or classified as homodetic cyclic peptide , aromatic ether , azamacrocycle , echinocandin , antibiotic antifungal drug .
The molecule O(C1=C(O)C(OC)=CC(=C1O)C)C O(C1=C(O)C(OC)=CC(=C1O)C)C is 2,4-dimethoxy-6-methylbenzene-1,3-diol. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule C[C@@H]1O[C@@H](OCCCCCCCCCCCCCC(=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](OCCCCCCCCCCCCCC(=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#28. It is also related to or classified as organic molecular entity .
The molecule N[C@H](Cc1ccc(O)c(F)c1)C(O)=O N[C@H](Cc1ccc(O)c(F)c1)C(O)=O is A member of the class of  monofluorobenzenes that is D-tyrosine substituted by a fluoro group at position 3. It is also related to or classified as D-alpha-amino acid  . It is also related to or classified as monofluorobenzenes  . It is also related to or classified as D-tyrosine derivative .
The molecule CCCCCCCCCCCCOS([O-])(=O)=O CCCCCCCCCCCCOS([O-])(=O)=O is dodecyl sulfate. It has the role of xenobiotic . It is also related to or classified as organosulfate oxoanion  .
The molecule P(=O)(OC[C@@H](O)[C@@H](O)[C@H](O[C@@H](C(=O)O)C)[C@@H](N)C=O)(O)O P(=O)(OC[C@@H](O)[C@@H](O)[C@H](O[C@@H](C(=O)O)C)[C@@H](N)C=O)(O)O is (2R)-2-[(2R,3R,4R,5R)-2-amino-4,5-dihydroxy-1-oxo-6-phosphonooxyhexan-3-yl]oxypropanoic acid. It is also related to or classified as carbohydrate phosphate , monosaccharide derivative .
The molecule C[C@@H]1O[C@@H](OCCCCCCCCCCCCCC(=O)CC([O-])=O)[C@H](O)C[C@H]1O C[C@@H]1O[C@@H](OCCCCCCCCCCCCCC(=O)CC([O-])=O)[C@H](O)C[C@H]1O is conjugate base of bkos#28. It is also related to or classified as organic molecular entity .
The molecule C[N+]1(CCCCC[N+]2(C)CCCC2)CCCC1 C[N+]1(CCCCC[N+]2(C)CCCC2)CCCC1 is A dication whose structure comprises a pentane backbone linking two 1-methylpyrrolidinium groups; a nicotinic antagonist used as a ganglionic blocking agent in hypertension. It is also related to or classified as organic cation .
The molecule NCCc1cc[nH]n1 NCCc1cc[nH]n1 is pyrazole in which a hydrogen adjacent to one of the nitrogen atoms is substituted by a 2-aminoethyl group. It is a histamine H2-receptor agonist used clinically to test gastric secretory function. It has the role of diagnostic agent . It has the role of histamine agonist . It has the role of gastrointestinal drug . It is also related to or classified as pyrazoles , primary amino compound .
The molecule O1C(C(O)C(O)C(O)C1OC=2C=C3OC(CC(=O)C3=C(O)C2)C4=CC(O)=C(O)C=C4)COC(=O)C5=CC(O)=C(O)C(O)=C5 O1C(C(O)C(O)C(O)C1OC=2C=C3OC(CC(=O)C3=C(O)C2)C4=CC(O)=C(O)C=C4)COC(=O)C5=CC(O)=C(O)C(O)=C5 is Eriodictyol 7-(6-galloylglucoside). It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule Cc1ncc(C[n+]2cccc(CCO)c2C)c(O)n1 Cc1ncc(C[n+]2cccc(CCO)c2C)c(O)n1 is A pyridinium ion having methyl and 2-hydroxyethyl groups at positions 2 and 3 respectively as well as a 4-hydroxy-2-methylpyrimid-5-ylmethyl attached to the nitrogen. It is also related to or classified as pyridinium ion .
The molecule CC(=O)CC(O)CC(=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(=O)CC(O)CC(=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 an oxo- and hydroxy fatty acyl-CoA whose S-acyl component is derived from 3-hydroxy-5-oxohexanoic acid. It has the role of mouse metabolite . Its functional parent is hexanoyl-CoA . Its functional parent is 3-hydroxy-5-oxohexanoic acid . It is also related to or classified as hydroxy fatty acyl-CoA , oxo-fatty acyl-CoA .
The molecule C[C@@H]1O[C@@H](OCCCCCCCCCCCCC(=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](OCCCCCCCCCCCCC(=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#26-CoA. 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)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)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 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 [H][C@@]12CCC(=O)[C@@]1(C)CCC1=C2C=CC2=CC(O)=CC=C12 [H][C@@]12CCC(=O)[C@@]1(C)CCC1=C2C=CC2=CC(O)=CC=C12 is A 3-hydroxy steroid that is estrone which carries two double bonds at positions 6 and 8. It is found in the urine of pregnant mare's and extensively used for estrogen replacement therapy in postmenopausal women. It has the role of antioxidant . It has the role of mammalian metabolite . It is also related to or classified as 17-oxo steroid  . It is also related to or classified as 3-hydroxy steroid .
The molecule OC1C(C2(C(C3C(C(=O)C2)(C4C(=CC3)C(C(=O)C(OC5OC(C(O)C(O)C5O)CO)=C4)(C)C)C)(C1)C)C)C(O)(C)C(=O)/C=C/C(O)(C)C OC1C(C2(C(C3C(C(=O)C2)(C4C(=CC3)C(C(=O)C(OC5OC(C(O)C(O)C5O)CO)=C4)(C)C)C)(C1)C)C)C(O)(C)C(=O)/C=C/C(O)(C)C is Cucurbitacin I 2-glucoside.  It is also related to or classified as glycoside  . It is also related to or classified as cucurbitacin .
The molecule O=C(O)C1=C(OC)C(=CC=C1OC2=C(O)C=C(C)C=C2C(OC)OC)[C@@H](O)CC(C)C O=C(O)C1=C(OC)C(=CC=C1OC2=C(O)C=C(C)C=C2C(OC)OC)[C@@H](O)CC(C)C is (S)-tenellic acid B dimethyl acetal. It is also related to or classified as aromatic ether .
The molecule C[C@@H]1O[C@@H](OCCCCCCCCCCCCC(=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](OCCCCCCCCCCCCC(=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#26. It is also related to or classified as organic molecular entity .
The molecule CC(=O)CC(O)CC([O-])=O CC(=O)CC(O)CC([O-])=O is A hydroxy monocarboxylic acid anion that is the conjugate base of 3-hydroxy-5-oxohexanoic acid obtained by deprotonation of the carboxy group. Its functional parent is hexanoate . It is also related to or classified as 5-oxo monocarboxylic acid anion , hydroxy monocarboxylic acid anion .
The molecule C[C@@H]1O[C@@H](OCCCCCCCCCCCCC(=O)CC([O-])=O)[C@H](O)C[C@H]1O C[C@@H]1O[C@@H](OCCCCCCCCCCCCC(=O)CC([O-])=O)[C@H](O)C[C@H]1O is conjugate base of bkos#26. It is also related to or classified as organic molecular entity .
The molecule Cc1cn([C@H]2C[C@H](O)[C@@H](COP([O-])(=O)OP([O-])([O-])=O)O2)c(=O)nc1N Cc1cn([C@H]2C[C@H](O)[C@@H](COP([O-])(=O)OP([O-])([O-])=O)O2)c(=O)nc1N is conjugate base of 5-methyldeoxycytidine 5'-(trihydrogen diphosphate). It is also related to or classified as organophosphate oxoanion .
The molecule CSSCC=C(C)C CSSCC=C(C)C is an organic disulfide that is 3-methylbut-2-ene-1-thiol in which the thiol group is replaced by a methyldisulfanediyl group. It is a flavouring agent. It has the role of flavouring agent . Its functional parent is 3-Methyl-2-butene-1-thiol . It is also related to or classified as organic disulfide  . It is also related to or classified as olefinic compound .
The molecule O=C1N[C@H](C(=O)N[C@H]1[C@H](CC)C)C(C)C O=C1N[C@H](C(=O)N[C@H]1[C@H](CC)C)C(C)C is (3S,6S)-3-[(2S)-butan-2-yl]-6-propan-2-ylpiperazine-2,5-dione. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C[C@@H]1O[C@@H](OCCCCCCCCCCCC(=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](OCCCCCCCCCCCC(=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#24-CoA. It is also related to or classified as organic molecular entity .
The molecule CCOP(=O)(Sc1ccccc1)Sc1ccccc1 CCOP(=O)(Sc1ccccc1)Sc1ccccc1 is an organic thiophosphate that is the O-ethyl-S,S-diphenyl ester of phosphorodithioic acid.  Used to control a variety of fungal diseases on rice including blast, ear blight and stem rot. Edifenphos is moderately toxic to mammals and fish but poses more of a risk to aquatic invertebrates. It has the role of EC 3.1.1.7 (acetylcholinesterase) inhibitor . It has the role of neurotoxin . It has the role of phospholipid biosynthesis inhibitor . It has the role of antifungal agrochemical . It is also related to or classified as organic thiophosphate .
The molecule CC(=O)N[C@H]1[C@H](OC[C@H]([NH3+])C([O-])=O)O[C@H](CO)[C@H](O)[C@@H]1OC1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O CC(=O)N[C@H]1[C@H](OC[C@H]([NH3+])C([O-])=O)O[C@H](CO)[C@H](O)[C@@H]1OC1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O is zwitterionic form of O-(3-O-D-galactosyl-N-acetyl-beta-D-galactosaminyl)-L-serine 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 amino-acid zwitterion .
The molecule O=C1C2=C3OC(=CC(C3=C(O)C=C2C(=O)C=4C1=C(O)C(=CC4)C5OC(C(OC6OC(C(O)C(C6)OC)C)C(C5)(NC)C)C)=O)C7(OC7C)C O=C1C2=C3OC(=CC(C3=C(O)C=C2C(=O)C=4C1=C(O)C(=CC4)C5OC(C(OC6OC(C(O)C(C6)OC)C)C(C5)(NC)C)C)=O)C7(OC7C)C is Altromycin H. It is also related to or classified as glycoside  . It is also related to or classified as benzochromenone .
The molecule O=C(Oc1ccccc1)Oc1ccccc1 O=C(Oc1ccccc1)Oc1ccccc1 is A carbonate ester that is the diphenyl ester of carbonic acid. It is also related to or classified as carbonate ester .
The molecule C[C@@H]1O[C@@H](OCCCCCCCCCCCC(=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](OCCCCCCCCCCCC(=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#24. It is also related to or classified as organic molecular entity .
The molecule O([C@H]1[C@H](OC)[C@@H](OC)[C@@H](OC1)OC2=C3C(=C(C=4C2=CC(OC)=C(OC)C4)C5=CC=6OCOC6C=C5)C(OC3)=O)[C@@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7O)CO O([C@H]1[C@H](OC)[C@@H](OC)[C@@H](OC1)OC2=C3C(=C(C=4C2=CC(OC)=C(OC)C4)C5=CC=6OCOC6C=C5)C(OC3)=O)[C@@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7O)CO is Ramontoside. It is also related to or classified as glycoside  . It is also related to or classified as lignan  .
The molecule O=C(O[C@@H](CC(=O)O)C)C1=C(O)C=C(OC)C=C1C[C@H](OC(=O)C[C@H](OC(=O)C2=C(O)C=C(O)C=C2C[C@H](OC(=O)C[C@H](O)CO)C)C)C O=C(O[C@@H](CC(=O)O)C)C1=C(O)C=C(OC)C=C1C[C@H](OC(=O)C[C@H](OC(=O)C2=C(O)C=C(O)C=C2C[C@H](OC(=O)C[C@H](O)CO)C)C)C is Calcaride D. Its functional parent is hexacarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule C[C@@H]1O[C@@H](OCCCCCCCCCCCC(=O)CC([O-])=O)[C@H](O)C[C@H]1O C[C@@H]1O[C@@H](OCCCCCCCCCCCC(=O)CC([O-])=O)[C@H](O)C[C@H]1O is conjugate base of bkos#24. It is also related to or classified as organic molecular entity .
The molecule C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CCC(=O)O2 C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CCC(=O)O2 is Estrololactone. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule COc1ccc(CCNCC(O)COc2cccc(C)c2)cc1OC COc1ccc(CCNCC(O)COc2cccc(C)c2)cc1OC is A propanolamine that is 3-aminopropane-1,2-diol in which the hydrogen of the primary hydroxy group is substituted by 3-methylphenyl and one of the hydrogens attached to the nitrogen is substituted by 2-(3,4-dimethoxyphenyl)ethyl. A beta1 adrenoceptor antagonist, it has been shown to be as effective as other beta-blockers for the treatment of angina pectoris and hypertension. It has the role of beta-adrenergic antagonist . It has the role of antihypertensive agent . It has the role of anti-arrhythmia drug . It has the role of calcium channel blocker . It is also related to or classified as propanolamine  .
The molecule O([C@@H]1C([C@@]2([C@](C3[C@@](CC2)([C@@]4(C(=CC3OC)C(C(O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)CC4)(C)C)[H])C)(C1)C)C)C(CCC=C(C)C)C)[C@@H]6O[C@@H]([C@@H](O)[C@@H](O)[C@H]6O)CO O([C@@H]1C([C@@]2([C@](C3[C@@](CC2)([C@@]4(C(=CC3OC)C(C(O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)CC4)(C)C)[H])C)(C1)C)C)C(CCC=C(C)C)C)[C@@H]6O[C@@H]([C@@H](O)[C@@H](O)[C@H]6O)CO is Hebevinoside X.  It is also related to or classified as glycoside  . It is also related to or classified as cucurbitacin .
The molecule O(C1=C(C(C#CC(=C)C)=C(O)C=C1)CO)C O(C1=C(C(C#CC(=C)C)=C(O)C=C1)CO)C is 2-hydroxy-5-methoxy-6-(3-methylbut-3-en-1-ynyl)benzylalcohol. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule C[C@@H]1O[C@@H](OCCCCCCCCCCC(=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](OCCCCCCCCCCC(=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#22-CoA. It is also related to or classified as organic molecular entity .
The molecule O=C1C=CC2OC2CCC(=CC3C14C(=O)NC(C4C(C)C(=C3)C)CC(C)C)C O=C1C=CC2OC2CCC(=CC3C14C(=O)NC(C4C(C)C(=C3)C)CC(C)C)C is Aspochalasin G. It has the role of fungal metabolite . It is also related to or classified as cytochalasin .
The molecule C[C@@H]1O[C@@H](OCCCCCCCCCCC(=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](OCCCCCCCCCCC(=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#22. It is also related to or classified as organic molecular entity .
The molecule O([C@@H]1[C@@]([C@@]2([C@](C3[C@@](CC2)([C@@]4(C(=CC3O)C(C(O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)CC4)(C)C)[H])C)(C1)C)C)([C@@H](CCC=C(C)C)C)[H])[C@@H]6O[C@@H]([C@@H](O)[C@@H](O)[C@H]6O)CO O([C@@H]1[C@@]([C@@]2([C@](C3[C@@](CC2)([C@@]4(C(=CC3O)C(C(O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)CC4)(C)C)[H])C)(C1)C)C)([C@@H](CCC=C(C)C)C)[H])[C@@H]6O[C@@H]([C@@H](O)[C@@H](O)[C@H]6O)CO is Hebevinoside VI.  It is also related to or classified as glycoside  . It is also related to or classified as cucurbitacin .
The molecule CCCCC\C=C/C\C=C/C=C/C=C/[C@@H](SC[C@H](NC(=O)CC[C@H]([NH3+])C([O-])=O)C(=O)NCC([O-])=O)[C@@H](O)CCCC([O-])=O CCCCC\C=C/C\C=C/C=C/C=C/[C@@H](SC[C@H](NC(=O)CC[C@H]([NH3+])C([O-])=O)C(=O)NCC([O-])=O)[C@@H](O)CCCC([O-])=O is the leukotriene anion that is the dianion of leukotriene C4 arising from deprotonation of the three carboxy groups and protonation of the glutamyl alpha-amino group. It has the role of human metabolite . It is also related to or classified as peptide anion , leukotriene anion .
The molecule S1C(=NC(=C1)/C=C(/[C@@H](OC)CC(=O)O)\C)C S1C(=NC(=C1)/C=C(/[C@@H](OC)CC(=O)O)\C)C is Methoxycarboxylic acid 42. It is also related to or classified as medium-chain fatty acid  .
The molecule C[C@@H]1O[C@@H](OCCCCCCCCCCC(=O)CC([O-])=O)[C@H](O)C[C@H]1O C[C@@H]1O[C@@H](OCCCCCCCCCCC(=O)CC([O-])=O)[C@H](O)C[C@H]1O is conjugate base of bkos#22. It is also related to or classified as organic molecular entity .
The molecule N[C@@H](Cc1ccc([O-])cc1)C([O-])=O N[C@@H](Cc1ccc([O-])cc1)C([O-])=O is the L-enantiomer of tyrosinate(2-). It has the role of fundamental metabolite . It is also related to or classified as tyrosinate(2-)  .
The molecule O=C(O)CCCCCC1=C(C=CC=C1)/C=C/C(=O)C O=C(O)CCCCCC1=C(C=CC=C1)/C=C/C(=O)C is Lahorenoic acid A. Its functional parent is cinnamic acid . It is also related to or classified as olefinic compound .
The molecule C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@]2(O)C#C C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@]2(O)C#C is A 17beta-hydroxy steroid that is testosterone in which the 17beta hydrogen is replaced by an ethynyl group. Ethisterone was the first orally active progestin and is a metabolite of danazol. It has the role of drug metabolite . It has the role of progestin . Its functional parent is testosterone . It is also related to or classified as tertiary alcohol  . It is also related to or classified as 17beta-hydroxy steroid  . It is also related to or classified as 3-oxo-Delta(4) steroid  . It is also related to or classified as terminal acetylenic compound  .