anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC[C@]2(CC(C1)=O)[H])[H])(CC[C@@H]4O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)[H])C)[H])C C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC[C@]2(CC(C1)=O)[H])[H])(CC[C@@H]4O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)[H])C)[H])C is A steroid glucosiduronic acid that is 5alpha-dihydrotestosterone having a single beta-D-glucuronic acid residue attached at position 17. It has the role of human urinary metabolite . Its functional parent is 17beta-hydroxy-5alpha-androstan-3-one . It is a conjugate acid of 5alpha-dihydrotestosterone 17-O-(beta-D-glucuronide)(1-) . It is also related to or classified as 3-oxo-5alpha-steroid  . It is also related to or classified as steroid glucosiduronic acid .
The molecule C12=C(C=C(C(=C1)C)C)N(C=3C(=N2)C(NC(N3)=O)=O)C[C@@H]([C@H](O)[C@H](O)COP(O)([O-])=O)O.[Na+] C12=C(C=C(C(=C1)C)C)N(C=3C(=N2)C(NC(N3)=O)=O)C[C@@H]([C@H](O)[C@H](O)COP(O)([O-])=O)O.[Na+] is riboflavin sodium phosphate. Its functional parent is riboflavin . It is also related to or classified as vitamin B2 , ribitol phosphate .
The molecule C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC[C@@]2(C[C@@H](C1)OS([O-])(=O)=O)[H])[H])(CC[C@@]4([C@H](C)CCC([O-])=O)[H])[H])C)[H])C C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC[C@@]2(C[C@@H](C1)OS([O-])(=O)=O)[H])[H])(CC[C@@]4([C@H](C)CCC([O-])=O)[H])[H])C)[H])C is A steroid sulfate oxoanion obtained by deprotonation of the carboxylic acid and sulfate functions of lithocholic acid sulfate; major species at pH 7.3. It is also related to or classified as steroid sulfate oxoanion .
The molecule O=C1O[C@@]2(C=C[C@H]3C[C@@](O)(C)CC[C@@H]3[C@@]2(C)CC1)C O=C1O[C@@]2(C=C[C@H]3C[C@@](O)(C)CC[C@@H]3[C@@]2(C)CC1)C is Libertalide D. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule O=C1C=CC(=O)N1CCC12C3C4C5C1[Fe]23451234C5C1C2C3C45 O=C1C=CC(=O)N1CCC12C3C4C5C1[Fe]23451234C5C1C2C3C45 is N-(2-ferrocenylethyl)maleimide. Its functional parent is maleimide . It is also related to or classified as pyrroles , ferrocenes , maleimides .
The molecule CCCCCCCCC(=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 CCCCCCCCC(=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 medium-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of nonanoic acid. Its functional parent is coenzyme A . Its functional parent is nonanoic acid . It is a conjugate acid of nonanoyl-CoA(4-) . It is also related to or classified as saturated fatty acyl-CoA  . It is also related to or classified as medium-chain fatty acyl-CoA .
The molecule O(C(CC(OCCCC)=O)(CC(OCCCC)=O)C(OCCCC)=O)C(=O)C O(C(CC(OCCCC)=O)(CC(OCCCC)=O)C(OCCCC)=O)C(=O)C is Acetyl tributyl citrate. Its functional parent is tetracarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule O[C@]1([C@H](CCCC1)CN)C2=CC(O)=CC=C2 O[C@]1([C@H](CCCC1)CN)C2=CC(O)=CC=C2 is N,N,O-Tridesmethyltramadol.  It is also related to or classified as alkylbenzene  . It is also related to or classified as ring assembly .
The molecule C(C([O-])=O)C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(CC)O C(C([O-])=O)C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(CC)O is A docosanoid anion that is the conjugate base of (4Z,7Z,10Z,13Z,16Z)-20-hydroxydocosapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. Its functional parent is (4Z,7Z,10Z,13Z,16Z)-docosapentaenoate . It is also related to or classified as hydroxydocosapentaenoate .
The molecule C=1C=C(C=C2C1[C@]3(CC[C@@]4([C@H](CC[C@]4([C@@]3([C@@H](C2)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F)[H])[H])O)C)[H])O C=1C=C(C=C2C1[C@]3(CC[C@@]4([C@H](CC[C@]4([C@@]3([C@@H](C2)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F)[H])[H])O)C)[H])O is A 3-hydroxy steroid that is 17beta-estradiol in which the 7alpha hydrogen has been replaced by a nonyl group in which one of the hydrogens of the terminal methyl has been replaced by a (4,4,5,5,5-pentafluoropentyl)sulfinyl group. An estrogen receptor antagonist, it is used in the treatment of breast cancer. It has the role of antineoplastic agent . It has the role of estrogen receptor antagonist . It has the role of estrogen antagonist . It is also related to or classified as sulfoxide  . It is also related to or classified as 17beta-hydroxy steroid  .  It is also related to or classified as organofluorine compound  . It is also related to or classified as 3-hydroxy steroid .
The molecule O=C1C=C2[C@@]3(O)[C@@]([C@]4(C=5NC=6C=CC(=CC6C5C[C@@H]4CC3)CC=C(C)C)C)(CC[C@@H]2O[C@@H]1C(O)(C)C)C O=C1C=C2[C@@]3(O)[C@@]([C@]4(C=5NC=6C=CC(=CC6C5C[C@@H]4CC3)CC=C(C)C)C)(CC[C@@H]2O[C@@H]1C(O)(C)C)C is 9-prenylpaxilline. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule C1=CC=C(C(=C1)C(=O)CCN)N is an aromatic ketone that is aniline substituted at position 2 by a 3-aminopropanoyl group. It has a role as a metabolite. It is a substituted aniline, a primary amino compound and an aromatic ketone.
The molecule OS(=O)(=O)CCN1CCOCC1 OS(=O)(=O)CCN1CCOCC1 is A Good's buffer substance, pKa = 6.15 at 20 degreeC. It is a conjugate acid of 2-(N-morpholino)ethanesulfonate . It is also related to or classified as organosulfonic acid  . It is also related to or classified as MES .
The molecule [H][C@]12Nc3nc(N)[nH]c(=O)c3N[C@@]1([H])C(S)=C(S)[C@@H](COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc3c1nc(N)[nH]c3=O)O2 [H][C@]12Nc3nc(N)[nH]c(=O)c3N[C@@]1([H])C(S)=C(S)[C@@H](COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc3c1nc(N)[nH]c3=O)O2 is molybdopterin guanine dinucleotide. It is a conjugate acid of molybdopterin guanine dinucleotide(3-) . It is also related to or classified as molybdopterins , molybdopterin dinucleotide .
The molecule O[C@@H]([C@@H](O)[C@H](O)C(O)=O)[C@@H](O)C(O)=O O[C@@H]([C@@H](O)[C@H](O)C(O)=O)[C@@H](O)C(O)=O is A hexaric acid resulting from formal oxidative ring cleavage of galactose. It has the role of human metabolite . It is a conjugate acid of galactarate(1-) . It is a conjugate acid of galactaric acid anion . It is also related to or classified as hexaric acid .
The molecule C=1(C(=CC=C(C1)C(C(O)=O)O)O)CC=C(C)C C=1(C(=CC=C(C1)C(C(O)=O)O)O)CC=C(C)C is A 2-hydroxy monocarboxylic acid that is mandelic acid carrying dimethylallyl and hydroxy substituents at positions 3 and 4 respectively. Its functional parent is mandelic acid . It is a conjugate acid of 3-dimethylallyl-4-hydroxymandelate . It is also related to or classified as phenols  . It is also related to or classified as 2-hydroxy monocarboxylic acid .
The molecule O=C(N)[C@H]1OC(O)[C@H](NC(=O)C)[C@H]([C@@H]1O[C@H]2OC[C@H](NC(=O)C)[C@@H]([C@H]2NC(=O)C)NC(=O)C)NC(=O)C O=C(N)[C@H]1OC(O)[C@H](NC(=O)C)[C@H]([C@@H]1O[C@H]2OC[C@H](NC(=O)C)[C@@H]([C@H]2NC(=O)C)NC(=O)C)NC(=O)C is 2,3,4-triacetamido-2,3,4-trideoxy-L-arabinose. Its functional parent is gamma-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C(C([O-])=O)CCCC/C=C\CC1C(C/C=C\C/C=C\C/C=C\CC)O1 C(C([O-])=O)CCCC/C=C\CC1C(C/C=C\C/C=C\C/C=C\CC)O1 is A docosanoid anion that is the conjugate base of (7Z,13Z,16Z,19Z)-10,11-epoxydocosatetraenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. Its functional parent is (7Z,10Z,13Z,16Z,19Z)-docosapentaenoate .   It is also related to or classified as long-chain fatty acid anion  . It is also related to or classified as epoxydocosatetraenoate , docosanoid anion .
The molecule O[C@@H]1[C@@H](COP([O-])([O-])=O)OC([C@@H]1O)n1cnc(CC([O-])=O)c1 O[C@@H]1[C@@H](COP([O-])([O-])=O)OC([C@@H]1O)n1cnc(CC([O-])=O)c1 is trianion of [1-(5-phosphoribosyl)imidazol-4-yl]acetic acid arising from deprotonation of the carboxy and phosphate groups; major species at pH 7.3. It is also related to or classified as monocarboxylic acid anion  . It is also related to or classified as organophosphate oxoanion .
The molecule OC(=O)C[As](O)(O)=O OC(=O)C[As](O)(O)=O is an organoarsonic acid that is methylarsonic acid in which one of the hydrogens of the methyl group is replaced by a carboxy group. It is a conjugate acid of arsonoacetic acid anion . It is also related to or classified as organoarsonic acid , monocarboxylic acid .
The molecule O=C1O[C@]2([C@]([C@@H]3[C@](O)(C[C@@](O)(C)CC3)[C@H]4[C@@H]2O4)(C)CC1)C O=C1O[C@]2([C@]([C@@H]3[C@](O)(C[C@@](O)(C)CC3)[C@H]4[C@@H]2O4)(C)CC1)C is Libertalide H. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule OC(=O)\C=C\C(O)=O.[H]C(=O)Nc1cc(ccc1O)[C@H](O)CN[C@@H](C)Cc1ccc(OC)cc1.[H]C(=O)Nc1cc(ccc1O)[C@H](O)CN[C@@H](C)Cc1ccc(OC)cc1 OC(=O)\C=C\C(O)=O.[H]C(=O)Nc1cc(ccc1O)[C@H](O)CN[C@@H](C)Cc1ccc(OC)cc1.[H]C(=O)Nc1cc(ccc1O)[C@H](O)CN[C@@H](C)Cc1ccc(OC)cc1 is A fumarate salt prepared from (S,S)-formoterol by reaction of one molecule of fumaric acid for every two molecules of (S,S)-formoterol. It is also related to or classified as fumarate salt .
The molecule O=Nc1ccccc1 O=Nc1ccccc1 is A nitroso compound that is the nitroso derivative of benzene; a diamagnetic hybrid of singlet O2 and azobenzene. It has the role of xenobiotic metabolite . Its functional parent is benzene . It is also related to or classified as benzenes , nitroso compound .
The molecule C(C([O-])=O)CCCC/C=C\C/C=C\CC1C(C/C=C\C/C=C\CC)O1 C(C([O-])=O)CCCC/C=C\C/C=C\CC1C(C/C=C\C/C=C\CC)O1 is A docosanoid anion that is the conjugate base of (7Z,10Z,16Z,19Z)-13,14-epoxydocosatetraenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. Its functional parent is (7Z,10Z,13Z,16Z,19Z)-docosapentaenoate .   It is also related to or classified as long-chain fatty acid anion  . It is also related to or classified as epoxydocosatetraenoate , docosanoid anion .
The molecule COc1ccc2CC3N(CCc4cc5OCOc5cc34)Cc2c1OC COc1ccc2CC3N(CCc4cc5OCOc5cc34)Cc2c1OC is A berberine alkaloid that is 5,8,13,13a-tetrahydro-6H-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinoline substituted by methoxy groups at positions 9 and 10. It is also related to or classified as berberine alkaloid , aromatic ether , oxacycle , organic heteropentacyclic compound .
The molecule O=C1O[C@]2([C@]([C@@H]3[C@H](C[C@@](O)(C)CC3)[C@H]4[C@@H]2O4)(C)CC1)C O=C1O[C@]2([C@]([C@@H]3[C@H](C[C@@](O)(C)CC3)[C@H]4[C@@H]2O4)(C)CC1)C is Libertalide G. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule C(C([O-])=O)CCCC/C=C\C/C=C\C/C=C\CC1C(C/C=C\CC)O1 C(C([O-])=O)CCCC/C=C\C/C=C\C/C=C\CC1C(C/C=C\CC)O1 is A docosanoid anion that is the conjugate base of (7Z,10Z,13Z,19Z)-16,17-epoxydocosatetraenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. Its functional parent is (7Z,10Z,13Z,16Z,19Z)-docosapentaenoate .   It is also related to or classified as long-chain fatty acid anion  . It is also related to or classified as epoxydocosatetraenoate , docosanoid anion .
The molecule CN(N=O)C(N)=O CN(N=O)C(N)=O is A member of the class of N-nitrosoureas that is urea in which one of the nitrogens is substituted by methyl and nitroso groups. It has the role of alkylating agent . It has the role of mutagen . It has the role of carcinogenic agent . It has the role of teratogenic agent . It is also related to or classified as N-nitrosoureas .
The molecule [H][C@]12Nc3nc(N)[nH]c(=O)c3N[C@@]1([H])C(S)=C(S)[C@@H](COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(N)nc1=O)O2 [H][C@]12Nc3nc(N)[nH]c(=O)c3N[C@@]1([H])C(S)=C(S)[C@@H](COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(N)nc1=O)O2 is molybdopterin cytosine dinucleotide. It is a conjugate acid of molybdopterin cytosine dinucleotide(3-) . It is also related to or classified as thiol  . It is also related to or classified as molybdopterins , molybdopterin dinucleotide .
The molecule CCOP(=S)(OCC)Oc1ccc2c(C)c(Cl)c(=O)oc2c1 CCOP(=S)(OCC)Oc1ccc2c(C)c(Cl)c(=O)oc2c1 is coumaphos. It has the role of acaricide . It has the role of agrochemical . It has the role of avicide . It has the role of antinematodal drug . It has the role of EC 3.1.1.8 (cholinesterase) inhibitor . Its functional parent is chlorferron .  It is also related to or classified as organochlorine compound  . It is also related to or classified as organothiophosphate insecticide , organic thiophosphate .
The molecule C1CNCCN1 C1CNCCN1 is an azacycloalkane that consists of a six-membered ring containing two nitrogen atoms at opposite positions. It has the role of anthelminthic drug . It is also related to or classified as piperazines , saturated organic heteromonocyclic parent , azacycloalkane .
The molecule O=C(O)[C@@]1(O)[C@@]2(O[C@](CCC(=C)[C@@H](O)[C@@H](CC3=CC=CC=C3)C)(O[C@@H]1C(=O)O)[C@@H]([C@H]2OC(=O)CC(O)C(CC(CC)C)C)O)C(=O)O O=C(O)[C@@]1(O)[C@@]2(O[C@](CCC(=C)[C@@H](O)[C@@H](CC3=CC=CC=C3)C)(O[C@@H]1C(=O)O)[C@@H]([C@H]2OC(=O)CC(O)C(CC(CC)C)C)O)C(=O)O is Squalestatin U2. Its functional parent is tetracarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule COc1ccc(C[C@H]([NH3+])C(=O)N[C@@H]2[C@@H](CO)O[C@H]([C@@H]2O)n2cnc3c(ncnc23)N(C)C)cc1 COc1ccc(C[C@H]([NH3+])C(=O)N[C@@H]2[C@@H](CO)O[C@H]([C@@H]2O)n2cnc3c(ncnc23)N(C)C)cc1 is puromycin monoprotonated at the amino nitrogen. It is the predominant species at pH 7.3. It is a conjugate acid of puromycin . It is also related to or classified as organic cation .
The molecule C(C([O-])=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC1C(CC)O1 C(C([O-])=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC1C(CC)O1 is A docosanoid anion that is the conjugate base of (7Z,10Z,13Z,16Z)-19,20-epoxydocosatetraenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. Its functional parent is (7Z,10Z,13Z,16Z,19Z)-docosapentaenoate .   It is also related to or classified as long-chain fatty acid anion  . It is also related to or classified as epoxydocosatetraenoate , docosanoid anion .
The molecule CCC12C3C4C5C1[Fe]23451234C5C1C2C3C45 CCC12C3C4C5C1[Fe]23451234C5C1C2C3C45 is ferrocene substituted on one of the cyclopentadienyl rings by an ethyl group. It is also related to or classified as ferrocenes .
The molecule C1=CN=C(C=C1)C1=CC=CC=N1 C1=CN=C(C=C1)C1=CC=CC=N1 is A bipyridine in which the two pyridine moieties are linked by a bond between positions C-2 and C-2'. It has the role of ferroptosis inhibitor . It has the role of chelator . It is also related to or classified as bipyridine  .
The molecule O1C([C@H](O)[C@H](O)C(O)[C@@H]1OC=2C3=C(OC(=CC3=O)C4=CC(O)=C(O)C(O)=C4)C=C(O)C2O)C O1C([C@H](O)[C@H](O)C(O)[C@@H]1OC=2C3=C(OC(=CC3=O)C4=CC(O)=C(O)C(O)=C4)C=C(O)C2O)C is 6-Hydroxytricetin 5-rhamnoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule [H]C(=O)[C@@](O)(COP([O-])([O-])=O)[C@H](O)[C@H](O)CO [H]C(=O)[C@@](O)(COP([O-])([O-])=O)[C@H](O)[C@H](O)CO is dianion of D-hamamelose 2(1)-phosphate arising from deprotonation of the phosphate OH groups; major species at pH 7.3. It is also related to or classified as organophosphate oxoanion .
The molecule OC(=O)C(=O)Nc1ccccc1C(O)=O OC(=O)C(=O)Nc1ccccc1C(O)=O is 2-(oxaloamino)benzoic acid. Its functional parent is anthranilic acid . It is also related to or classified as (oxaloamino)benzoic acid .
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)CC/C(=C/C(CC3=CC=CC=C3)C)/C)C(=O)O)/C=C/[C@H](C[C@H](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)CC/C(=C/C(CC3=CC=CC=C3)C)/C)C(=O)O)/C=C/[C@H](C[C@H](CC)C)C is Squalestatin S5. Its functional parent is tetracarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule C(C([O-])=O)C/C=C\C/C=C\CC1C(C/C=C\C/C=C\C/C=C\CC)O1 C(C([O-])=O)C/C=C\C/C=C\CC1C(C/C=C\C/C=C\C/C=C\CC)O1 is A docosanoid anion that is the conjugate base of (4Z,7Z,13Z,16Z,19Z)-10,11-epoxydocosapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. Its functional parent is (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate .   It is also related to or classified as long-chain fatty acid anion  . It is also related to or classified as epoxydocosapentaenoate , docosanoid anion .
The molecule FC1(F)N(C(F)(F)C(F)(F)C1(F)F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F FC1(F)N(C(F)(F)C(F)(F)C1(F)F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F is perfluoro-N-cyclohexylpyrrolidine. Its functional parent is N-cyclohexylpyrrolidine . It is also related to or classified as organofluorine compound  .
The molecule [H]O[Mo](=O)(=O)O[H] [H]O[Mo](=O)(=O)O[H] is molybdic acid. It is a conjugate acid of hydrogenmolybdate . It is also related to or classified as molybdenum oxoacid .
The molecule OCC(=O)[C@H](O)[C@@H](O)COP([O-])([O-])=O OCC(=O)[C@H](O)[C@@H](O)COP([O-])([O-])=O is an organophosphate oxoanion that is the dianion of L-xylulose 5-phosphate arising from deprotonation of the phosphate OH groups; major species at pH 7.3. It has the role of fundamental metabolite . It is also related to or classified as organophosphate oxoanion .
The molecule CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O is beta-D-GalpNAc-(1->4)-D-GlcpNAc with beta configuration at the reducing-end anomeric centre. It has the role of epitope . It is also related to or classified as beta-D-GalpNAc-(1->4)-D-GlcpNAc  .
The molecule O=C1C2=C(O)C=3C(=C(OC)C=C(C3)OC)C(=C2COC1C)O[C@@H]4O[C@@H]([C@@H](OC)[C@@H]([C@H]4O)O)CO O=C1C2=C(O)C=3C(=C(OC)C=C(C3)OC)C(=C2COC1C)O[C@@H]4O[C@@H]([C@@H](OC)[C@@H]([C@H]4O)O)CO is 10-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-5-hydroxy-7,9-dimethoxy-3-methyl-1H-benzo[g]isochromen-4-one. It is also related to or classified as glycoside  . It is also related to or classified as benzochromenone .
The molecule C=12C(C=3C=CC=CC3F)=NCC(N(C1C=CC(=C2)[N+](=O)[O-])C)=O C=12C(C=3C=CC=CC3F)=NCC(N(C1C=CC(=C2)[N+](=O)[O-])C)=O is A 1,4-benzodiazepinone that is nitrazepam substituted by a methyl group at position 1 and by a fluoro group at position 2'. It is a potent hypnotic, sedative, and amnestic drug used to treat chronic insomnia. It has the role of anxiolytic drug . It has the role of sedative . It has the role of GABAA receptor agonist .   It is also related to or classified as monofluorobenzenes  . It is also related to or classified as 1,4-benzodiazepinone , C-nitro compound .
The molecule OC[C@H]1O[C@@H](Oc2cc3C[C@@H](C([O-])=O)\[N+](=C/C=C4C[C@H](NC(=C\4)C(O)=O)C(O)=O)c3cc2O)[C@H](O)[C@@H](O)[C@@H]1O OC[C@H]1O[C@@H](Oc2cc3C[C@@H](C([O-])=O)\[N+](=C/C=C4C[C@H](NC(=C\4)C(O)=O)C(O)=O)c3cc2O)[C@H](O)[C@@H](O)[C@@H]1O is Betanin. Its functional parent is betanidin .  It is also related to or classified as glycoside  . It is also related to or classified as betalain .
The molecule C(C([O-])=O)C/C=C\C/C=C\C/C=C\CC1C(C/C=C\C/C=C\CC)O1 C(C([O-])=O)C/C=C\C/C=C\C/C=C\CC1C(C/C=C\C/C=C\CC)O1 is A docosanoid anion that is the conjugate base of (4Z,7Z,10Z,16Z,19Z)-13,14-epoxydocosapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. Its functional parent is (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate .   It is also related to or classified as long-chain fatty acid anion  . It is also related to or classified as epoxydocosapentaenoate , docosanoid anion .
The molecule [H]C(=O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)COP([O-])([O-])=O [H]C(=O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)COP([O-])([O-])=O is an organophosphate oxoanion arising from deprotonation of the phosphate OH groups of D-allose 6-phosphate; major species at pH 7.3. It is also related to or classified as organophosphate oxoanion .
The molecule C1C(C=2C(=C3C(=CC2CC1(O)C)C=C(C=C3O)O)O)=O C1C(C=2C(=C3C(=CC2CC1(O)C)C=C(C=C3O)O)O)=O is A member of the class of anthracenones that is 3,4-dihydroanthracen-1(2H)-one which carries a methyl group at position 3 and hydroxy groups at positions 3, 6, 8, and 9, respectively. It has the role of Aspergillus metabolite .  It is also related to or classified as polyketide  . It is also related to or classified as tertiary alcohol  . It is also related to or classified as phenols  . It is also related to or classified as anthracenone , beta-hydroxy ketone .
The molecule CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)c2c(O)c3C(=O)c4c(O)cccc4C(=O)c3c(O)c2[C@H]1C(=O)OC CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)c2c(O)c3C(=O)c4c(O)cccc4C(=O)c3c(O)c2[C@H]1C(=O)OC is an anthracycline that is aklavinone having a 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl residue attached at position 4 via a glycosidic linkage. It has the role of metabolite . Its functional parent is aklavinone . It is also related to or classified as methyl ester  . It is also related to or classified as p-quinones , deoxy hexoside , aminoglycoside , anthracycline antibiotic , tetracenequinones , monosaccharide derivative .
The molecule O=C(NC1C(O)C(O)C(OC2OC(CCC2N)CN)C(C1)N)[C@@H](O)CCN O=C(NC1C(O)C(O)C(OC2OC(CCC2N)CN)C(C1)N)[C@@H](O)CCN is AHB-Gentamine-C1a. It is also related to or classified as glycoside  . It is also related to or classified as amino cyclitol .
The molecule NNc1nncc2ccccc12 NNc1nncc2ccccc12 is the 1-hydrazino derivative of phthalazine; a direct-acting vasodilator that is used as an antihypertensive agent. It has the role of vasodilator agent . It has the role of antihypertensive agent . It is also related to or classified as hydrazines  . It is also related to or classified as phthalazines , azaarene , ortho-fused heteroarene .
The molecule C(C([O-])=O)C/C=C\C/C=C\C/C=C\C/C=C\CC1C(C/C=C\CC)O1 C(C([O-])=O)C/C=C\C/C=C\C/C=C\C/C=C\CC1C(C/C=C\CC)O1 is A docosanoid anion that is the conjugate base of (4Z,7Z,10Z,13Z,19Z)-16,17-epoxydocosapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. Its functional parent is (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate .   It is also related to or classified as long-chain fatty acid anion  . It is also related to or classified as epoxydocosapentaenoate , docosanoid anion .
The molecule [H][C@@]12Oc3cc(OC)c4c5CCC(=O)c5c(=O)oc4c3[C@]1([H])[C@@]1([H])O[C@@]1([H])O2 [H][C@@]12Oc3cc(OC)c4c5CCC(=O)c5c(=O)oc4c3[C@]1([H])[C@@]1([H])O[C@@]1([H])O2 is aflatoxin B1 exo-8,9-epoxide. It has the role of human metabolite . It is also related to or classified as aflatoxin .
The molecule [Na+].[O-]Cl [Na+].[O-]Cl is an inorganic sodium salt in which hypochlorite is the counterion. It is used as a bleaching and disinfecting agent and is commonly found in household bleach. It has the role of bleaching agent . It has the role of disinfectant . It is also related to or classified as inorganic sodium salt .
The molecule [C@]1(C(C(C(N1)=O)C(=O)C)=O)([C@H](CC)C)[H] [C@]1(C(C(C(N1)=O)C(=O)C)=O)([C@H](CC)C)[H] is A member of the class of pyrrolidin-2-ones that is 5-(butan-2-yl)pyrrolidine-2,4-dione carrying an additional acetyl group at position 3. A mycotoxin produced by various plant pathogenic fungi. It has the role of mycotoxin . It has the role of protein synthesis inhibitor . It has the role of human urinary metabolite . It is a conjugate acid of tenuazonic acid(1-) .   It is also related to or classified as pyrrolidin-2-ones  . It is also related to or classified as methyl ketone , beta-diketone .
The molecule O[C@H]1C=C[C@@]2([C@H]3[C@]([C@@]4([C@H](/C(=C(\CCC=C(C)C)/C)/CC4)CC3)C)(C)CC[C@H]2C1(C)C)C O[C@H]1C=C[C@@]2([C@H]3[C@]([C@@]4([C@H](/C(=C(\CCC=C(C)C)/C)/CC4)CC3)C)(C)CC[C@H]2C1(C)C)C is 3beta-hydroxy-4beta-methylfusida-17(20)(16, 21-cis), 24-diene (3beta-hydroxy-protosta-17(20)(16, 21-cis), 24-diene). It is also related to or classified as triterpenoid  .
The molecule C(C([O-])=O)C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC1C(CC)O1 C(C([O-])=O)C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC1C(CC)O1 is A docosanoid anion that is the conjugate base of (4Z,7Z,10Z,13Z,16Z)-19,20-epoxydocosapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. Its functional parent is (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate .   It is also related to or classified as long-chain fatty acid anion  . It is also related to or classified as epoxydocosapentaenoate , docosanoid anion .