anonymous041/ChEBI-Augmented huggingface dataset:
The molecule [H]C(=O)CCC[C@H]([NH3+])C([O-])=O [H]C(=O)CCC[C@H]([NH3+])C([O-])=O is an amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of L-allysine; major species at pH 7.3. It is also related to or classified as amino-acid zwitterion .
The molecule C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2c2c([O-])cc(O)c3c2oc(cc3=O)-c2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1O C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2c2c([O-])cc(O)c3c2oc(cc3=O)-c2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1O is the conjugate base of vitexin 2''-O-alpha-L-rhamnoside arising from deprotonation of the OH group at position 7 on the chromene. It is also related to or classified as flavonoid oxoanion .
The molecule [H][C@]12C[C@@]3([H])N(CCc4cc(OC)c(O)cc34)C(=O)C1=CO[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C2C=C [H][C@]12C[C@@]3([H])N(CCc4cc(OC)c(O)cc34)C(=O)C1=CO[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C2C=C is an organic heterotetracyclic compound that is an alkaloidal glycoside isolated from Alangium salviifolium. It has the role of plant metabolite . It is also related to or classified as beta-D-glucoside  .   It is also related to or classified as phenols  . It is also related to or classified as isoquinoline alkaloid , isoquinolines , aromatic ether , organic heterotetracyclic compound , terpene glycoside , olefinic compound .
The molecule O1C(=CC(=CC1=O)O)CC(C)=O O1C(=CC(=CC1=O)O)CC(C)=O is A member of the class of 2-pyranones that is 2H-pyran-2-one which is substituted at positions 4 and 6 by hydroxy and acetonyl groups, respectively. It has the role of fungal metabolite . It is also related to or classified as ketone  . It is also related to or classified as 2-pyranones .
The molecule O=C(O[C@@H](CC(=O)O[C@@H](CC1=C(C(O)=CC(=C1)O)C(=O)O[C@@H](CC(=O)O[C@@H](CC2=CC(O)=CC(=C2)O)C)C)C)C)C3=C(O)C=C(O)C=C3CC(=O)C O=C(O[C@@H](CC(=O)O[C@@H](CC1=C(C(O)=CC(=C1)O)C(=O)O[C@@H](CC(=O)O[C@@H](CC2=CC(O)=CC(=C2)O)C)C)C)C)C3=C(O)C=C(O)C=C3CC(=O)C is Hansforester D. Its functional parent is tetracarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule S1C(OC(N2C=CC(=NC2=O)N)C1)COP(O)(O)=O S1C(OC(N2C=CC(=NC2=O)N)C1)COP(O)(O)=O is Lamivudine-monophosphate. It is also related to or classified as nucleobase-containing molecular entity , carbohydrate derivative .
The molecule CN=C=O CN=C=O is the isocyanate that is methane modified by a single isocyanato substituent. It has the role of allergen . It has the role of apoptosis inducer . It is also related to or classified as isocyanates .
The molecule OC[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO OC[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO is the L-enantiomer of glucitol. It has the role of Saccharomyces cerevisiae metabolite . It is also related to or classified as glucitol  .
The molecule C(/C=C\C=C/C(C/C=C\CCCCCC([O-])=O)OO)=C\C(C/C=C\CC)OO C(/C=C\C=C/C(C/C=C\CCCCCC([O-])=O)OO)=C\C(C/C=C\CC)OO is A hydroperoxydocosapentaenoate that is the conjugate base of (7Z,11Z,13Z,15E,19Z)-10,17-bis(hydroperoxy)docosapentaenoic 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 hydroperoxydocosapentaenoate .
The molecule O=C(O[C@@H](CC(=O)O[C@@H](CC1=C(C(O)=CC(=C1)O)C(=O)O[C@@H](CC(=O)O[C@@H](CC2=C(C(O)=CC(=C2)O)C(=O)O)C)C)C)C)C3=C(O)C=C(O)C=C3CC(=O)/C=C/C O=C(O[C@@H](CC(=O)O[C@@H](CC1=C(C(O)=CC(=C1)O)C(=O)O[C@@H](CC(=O)O[C@@H](CC2=C(C(O)=CC(=C2)O)C(=O)O)C)C)C)C)C3=C(O)C=C(O)C=C3CC(=O)/C=C/C is Hansforester C. Its functional parent is hexacarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule C[C@@H]1CC[C@@H]2[C@]1(CC(C[C@@H]3[C@]2(C3)C)(C)C)O is a tricyclic sesquiterpene with formula C15H26O, that is isolated from Streptomyces violaceusniger, S. malaysiensis and Leptographium lundbergii. It has a role as a bacterial metabolite and a fungal metabolite. It is a carbotricyclic compound, a tertiary alcohol and a sesquiterpenoid.
The molecule [N] [N] is nitrogen atom. It has the role of macronutrient . It is also related to or classified as nonmetal atom  . It is also related to or classified as pnictogen  .
The molecule COc1cc(\C=C\C=O)ccc1O COc1cc(\C=C\C=O)ccc1O is A member of the class of cinnamaldehydes that is cinnamaldehyde substituted by a hydroxy group at position 4 and a methoxy group at position 3. It has the role of antifungal agent . It has the role of plant metabolite . Its functional parent is (E)-cinnamaldehyde . It is also related to or classified as guaiacols  . It is also related to or classified as cinnamaldehydes , phenylpropanoid .
The molecule Cl.NNc1nncc2ccccc12 Cl.NNc1nncc2ccccc12 is the hydrochloride salt of hydralazine; 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 hydrochloride .
The molecule CC(=O)NCCC[NH2+]CCCC[NH3+] CC(=O)NCCC[NH2+]CCCC[NH3+] is A doubly-charged ammonium ion arising from protonation of the primary and secondary amino groups of N(1)-acetylspermidine; major species at pH 7.3. It has the role of Saccharomyces cerevisiae metabolite . It has the role of human metabolite . It is a conjugate acid of N(1)-acetylspermidine . It is also related to or classified as organic cation , ammonium ion derivative .
The molecule C(/C=C\C=C/C(C/C=C\C/C=C\CCC([O-])=O)OO)=C\[C@H](CCCCC)OO C(/C=C\C=C/C(C/C=C\C/C=C\CCC([O-])=O)OO)=C\[C@H](CCCCC)OO is A hydroperoxydocosapentaenoate that is the conjugate base of (4Z,7Z,11Z,13Z,15E,17S)-10,17-bis(hydroperoxy)docosapentaenoic 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 hydroperoxydocosapentaenoate .
The molecule CC12CC3CC(CC(C3)C1)C2 CC12CC3CC(CC(C3)C1)C2 is 1-methyladamantane. It is also related to or classified as polycyclic alkane  . It is also related to or classified as adamantanes .
The molecule O=C(O[C@@H](CC(=O)O[C@@H](CC1=C(C(O)=CC(=C1)O)C(=O)O[C@@H](CC(=O)O[C@@H](CC2=CC(O)=CC(=C2)O)C)C)C)C)C3=C(O)C=C(O)C=C3CC(=O)/C=C/C O=C(O[C@@H](CC(=O)O[C@@H](CC1=C(C(O)=CC(=C1)O)C(=O)O[C@@H](CC(=O)O[C@@H](CC2=CC(O)=CC(=C2)O)C)C)C)C)C3=C(O)C=C(O)C=C3CC(=O)/C=C/C is Hansforester B. Its functional parent is tetracarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule [NH3+][C@H]1[C@H](O)[C@@H](O)[C@H](OP([O-])([O-])=O)[C@@H](O)[C@@H]1O [NH3+][C@H]1[C@H](O)[C@@H](O)[C@H](OP([O-])([O-])=O)[C@@H](O)[C@@H]1O is an inositol phosphate oxoanion that is the conjugate base of 1-amino-1-deoxy-scyllo-inositol 4-phosphate, arising from deprotonation of the phosphate OH groups and protonation of the amino group; major species at pH 7.3. It is also related to or classified as inositol phosphate oxoanion .
The molecule [O-][N+](=O)OCC(CO[N+]([O-])=O)O[N+]([O-])=O [O-][N+](=O)OCC(CO[N+]([O-])=O)O[N+]([O-])=O is A nitroglycerol that is glycerol in which the hydrogen atoms of all three hydroxy groups are replaced by nitro groups. It acts as a prodrug, releasing nitric oxide to open blood vessels and so alleviate heart pain. It has the role of vasodilator agent . It has the role of xenobiotic . It has the role of prodrug . It has the role of nitric oxide donor . It has the role of muscle relaxant . It has the role of explosive . It has the role of tocolytic agent . It is also related to or classified as nitroglycerol .
The molecule CN(CCCl)CCCl CN(CCCl)CCCl is mechlorethamine. It has the role of alkylating agent . It is also related to or classified as organochlorine compound  . It is also related to or classified as nitrogen mustard .
The molecule [H]C(=NO)C(C)(C)SC [H]C(=NO)C(C)(C)SC is the oxime resulting from the formal condensation of 2-methyl-2-(methylsulfanyl)propanal with hydroxylamine. Addition of the oxime group to methyl isocyanate forms the final step in the synthesis of the systemic insecticide aldicarb. It is also related to or classified as aliphatic aldoxime  . It is also related to or classified as methyl sulfide  .
The molecule [O-]C(CC/C=C\C/C=C\CC(/C=C\C=C/C=C/[C@H](C/C=C\CC)OO)OO)=O [O-]C(CC/C=C\C/C=C\CC(/C=C\C=C/C=C/[C@H](C/C=C\CC)OO)OO)=O is A docosanoid anion that is the conjugate base of (4Z,7Z,11Z,13Z,15E,17S,19Z)-10,17-bis(hydroperoxy)docosahexaenoic 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 docosanoid anion .
The molecule O=C(O[C@@H](CC(=O)O[C@@H](CC1=CC(O)=CC(=C1)O)C)C)C2=C(O)C=C(O)C=C2C[C@H](OC(=O)C[C@H](OC(=O)C3=C(O)C=C(O)C=C3C)C)C O=C(O[C@@H](CC(=O)O[C@@H](CC1=CC(O)=CC(=C1)O)C)C)C2=C(O)C=C(O)C=C2C[C@H](OC(=O)C[C@H](OC(=O)C3=C(O)C=C(O)C=C3C)C)C is Hansforester A. Its functional parent is tetracarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule O1C([C@H](O)C(O)[C@H](O)[C@@H]1OC2=C(OC3=C(C2=O)C(O)=CC(O)=C3OC)C4=CC(OC)=C(O)C=C4)C O1C([C@H](O)C(O)[C@H](O)[C@@H]1OC2=C(OC3=C(C2=O)C(O)=CC(O)=C3OC)C4=CC(OC)=C(O)C=C4)C is Limocitrin 3-rhamnoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule [H][N+]1(CCOCC1)CCS([O-])(=O)=O [H][N+]1(CCOCC1)CCS([O-])(=O)=O 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 zwitterion  . It is also related to or classified as MES .
The molecule CN\C(NCCSCc1nc[nH]c1C)=N\C#N CN\C(NCCSCc1nc[nH]c1C)=N\C#N is A member of the class of  guanidines that consists of guanidine carrying a methyl substituent at position 1, a cyano group at position 2 and a 2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl group at position 3. It is a  H2-receptor antagonist that inhibits the production of acid in stomach. It has the role of analgesic . It has the role of H2-receptor antagonist . It has the role of anti-ulcer drug . It has the role of P450 inhibitor . It has the role of adjuvant . It is also related to or classified as nitrile  . It is also related to or classified as aliphatic sulfide , guanidines , imidazoles .
The molecule O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C(C=3OC=4C(C(=O)C3)=C(O)C(OC)=C(OC)C4)=C(O)C=CC2)CO O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C(C=3OC=4C(C(=O)C3)=C(O)C(OC)=C(OC)C4)=C(O)C=CC2)CO is 5,2',6'-Trihydroxy-6,7-dimethoxyflavone 2'-glucoside. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule CCCCCCCC CCCCCCCC is A straight chain alkane composed of 8 carbon atoms. It has the role of xenobiotic . It is also related to or classified as alkane  .
The molecule N1[C@H](C(S[C@]1([H])[C@H](NC([C@@H](C2=CC=C(C=C2)O)N)=O)C(=O)NCCCC)(C)C)C([O-])=O.[Na+] N1[C@H](C(S[C@]1([H])[C@H](NC([C@@H](C2=CC=C(C=C2)O)N)=O)C(=O)NCCCC)(C)C)C([O-])=O.[Na+] is an organic sodium salt that is the monosodium salt of amoxicilloyl-butylamine. It is also related to or classified as organic sodium salt .
The molecule O=C1C(=C(C=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC2=C(C(=O)C(OC3OC(C)C(O)C(O)C3O)CC2(C)C)C)C)C)C)C)C(C)(C)CC1OC4OC(C)C(O)C(O)C4O)C O=C1C(=C(C=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC2=C(C(=O)C(OC3OC(C)C(O)C(O)C3O)CC2(C)C)C)C)C)C)C)C(C)(C)CC1OC4OC(C)C(O)C(O)C4O)C is A carotenone that is astaxanthin in which the 3S and 3'S-hydroxy groups are replaced by alpha-D-rhamnosyl groups. It has the role of bacterial metabolite . Its functional parent is astaxanthin .  It is also related to or classified as alpha-D-rhamnoside  . It is also related to or classified as carotenone .
The molecule Cc1ccc(cc1)S(O)(=O)=O.NC1CCN(C1)c1nc2n(cc(C(O)=O)c(=O)c2cc1F)-c1ccc(F)cc1F Cc1ccc(cc1)S(O)(=O)=O.NC1CCN(C1)c1nc2n(cc(C(O)=O)c(=O)c2cc1F)-c1ccc(F)cc1F is A racemate comprising equimolar amounts of (R)- and (S)-tosufloxacin tosylate. It has the role of antimicrobial agent . It has the role of antiinfective agent . It has the role of hepatotoxic agent . It has the role of topoisomerase IV inhibitor . It has the role of DNA synthesis inhibitor . It is also related to or classified as racemate .
The molecule [C@H]1(O[C@@H]([C@@H](O)[C@@H]([C@H]1O)O)CO)S/C(=N\S(O)(=O)=O)/CCC=CS(=O)C [C@H]1(O[C@@H]([C@@H](O)[C@@H]([C@H]1O)O)CO)S/C(=N\S(O)(=O)=O)/CCC=CS(=O)C is A glucosinolic acid that consists of 1-thio-beta-D-glucopyranose attached to a 1-(methylsulfinyl)-5-[(sulfooxy)imino]pent-1-en-5-yl group at the anomeric sulfur. Its functional parent is gluconapin . It is a conjugate acid of glucoraphenin(1-) . It is also related to or classified as sulfoxide  . It is also related to or classified as glucosinolic acid  .
The molecule CO[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](O[C@@H]2O[C@H]([C@@H](O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@H](O[C@@H]4O[C@@H]([C@@H](O[C@H]5O[C@H](COS([O-])(=O)=O)[C@@H](O)[C@H](O)[C@H]5NS([O-])(=O)=O)[C@H](O)[C@H]4O)C([O-])=O)[C@H](OS([O-])(=O)=O)[C@H]3NS([O-])(=O)=O)[C@H](O)[C@H]2OS([O-])(=O)=O)C([O-])=O)[C@H](O)[C@H]1NS([O-])(=O)=O CO[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](O[C@@H]2O[C@H]([C@@H](O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@H](O[C@@H]4O[C@@H]([C@@H](O[C@H]5O[C@H](COS([O-])(=O)=O)[C@@H](O)[C@H](O)[C@H]5NS([O-])(=O)=O)[C@H](O)[C@H]4O)C([O-])=O)[C@H](OS([O-])(=O)=O)[C@H]3NS([O-])(=O)=O)[C@H](O)[C@H]2OS([O-])(=O)=O)C([O-])=O)[C@H](O)[C@H]1NS([O-])(=O)=O is the carbohydrate acid derivative anion formed by loss of 10 protons from the carboxy and sulfoamino groups of fondaparinux. It is also related to or classified as monocarboxylic acid anion  . It is also related to or classified as organosulfate oxoanion  . It is also related to or classified as carbohydrate acid derivative anion .
The molecule N1[C@H](C(S[C@]1([H])[C@H](NC([C@@H](C2=CC=C(C=C2)O)N)=O)C(=O)NCCCC)(C)C)C([O-])=O N1[C@H](C(S[C@]1([H])[C@H](NC([C@@H](C2=CC=C(C=C2)O)N)=O)C(=O)NCCCC)(C)C)C([O-])=O is A thiazolidinemonocarboxylate formed by proton loss from the carboxy group of amoxicilloyl-butylamine. It is also related to or classified as thiazolidinemonocarboxylate .
The molecule O=C1[C@@]23C(=O)N[C@H]([C@@H]2[C@H](C)C(=C[C@@H]3C=C(CCCC([C@H]4[C@H]1[C@@H]5O[C@H]4C=6C5=C(O)C(O)=C(O)C6C)=O)C)C)CC(C)C O=C1[C@@]23C(=O)N[C@H]([C@@H]2[C@H](C)C(=C[C@@H]3C=C(CCCC([C@H]4[C@H]1[C@@H]5O[C@H]4C=6C5=C(O)C(O)=C(O)C6C)=O)C)C)CC(C)C is Asperchalasine I. It has the role of fungal metabolite . It is also related to or classified as cytochalasin .
The molecule O(C1OC=C(C2C1C(O)(C=C2)COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)=O)[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO O(C1OC=C(C2C1C(O)(C=C2)COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)=O)[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO is Vaccinoside. It is also related to or classified as glycoside  . It is also related to or classified as iridoid monoterpenoid .
The molecule COc1cc(cc(OC)c1O)\C=C\C(O)=O COc1cc(cc(OC)c1O)\C=C\C(O)=O is A sinapic acid in which the double bond has trans-configuration. It has the role of MALDI matrix material . It has the role of plant metabolite . It is a conjugate acid of trans-sinapate . It is also related to or classified as sinapic acid  .
The molecule N1[C@H](C(S[C@]1([H])[C@H](NC([C@@H](C2=CC=C(C=C2)O)N)=O)C(=O)O)(C)C)C([O-])=O.[Na+] N1[C@H](C(S[C@]1([H])[C@H](NC([C@@H](C2=CC=C(C=C2)O)N)=O)C(=O)O)(C)C)C([O-])=O.[Na+] is an organic sodium salt that is the monosodium salt of amoxicilloic acid. It is also related to or classified as organic sodium salt .
The molecule O=C1C(C(=O)NC(=O)CC(C)C)=CN(CCO)C(=C1)[C@@H](O)C2=CC=CC=C2 O=C1C(C(=O)NC(=O)CC(C)C)=CN(CCO)C(=C1)[C@@H](O)C2=CC=CC=C2 is Penipyridone F. Its functional parent is nicotinamide . It is also related to or classified as pyridinecarboxamide .
The molecule O=C(O)/C(=C/C=C/[C@@H]1[C@@H]2[C@@H](C=C[C@@H]1C)C[C@@H](CO)[C@@H]([C@H]2C)O)/C O=C(O)/C(=C/C=C/[C@@H]1[C@@H]2[C@@H](C=C[C@@H]1C)C[C@@H](CO)[C@@H]([C@H]2C)O)/C is Trichodermic acid A. It is also related to or classified as medium-chain fatty acid  .
The molecule CS(O)(=O)=O.CN1CCN(CC1)Cc1ccc(cc1)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1 CS(O)(=O)=O.CN1CCN(CC1)Cc1ccc(cc1)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1 is A methanesulfonate (mesylate) salt that is the monomesylate salt of imatinib. Used for treatment of chronic myelogenous leukemia and gastrointestinal stromal tumours. It has the role of anticoronaviral agent . It has the role of antineoplastic agent . It has the role of tyrosine kinase inhibitor . It has the role of apoptosis inducer . It is also related to or classified as methanesulfonate salt .
The molecule [As](=O)(C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(O)=O)(C)C [As](=O)(C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(O)=O)(C)C is 21-dimethylarsinoyl-(7Z, 10Z,13Z,16Z,19Z)-heneicosapentaenoic acid. It is also related to or classified as long-chain fatty acid  .
The molecule [H][C@@]1(C[C@H](C)[C@@]([H])(O1)[C@]1(CC)CC[C@@]([H])(O1)[C@]1(C)CC[C@]2(C[C@H](O)[C@@H](C)[C@]([H])(O2)[C@@H](C)[C@@H](OC)[C@H](C)C(O)=O)O1)[C@@]1([H])O[C@@](O)(CO)[C@H](C)C[C@@H]1C [H][C@@]1(C[C@H](C)[C@@]([H])(O1)[C@]1(CC)CC[C@@]([H])(O1)[C@]1(C)CC[C@]2(C[C@H](O)[C@@H](C)[C@]([H])(O2)[C@@H](C)[C@@H](OC)[C@H](C)C(O)=O)O1)[C@@]1([H])O[C@@](O)(CO)[C@H](C)C[C@@H]1C is A spiroketal, monensin A is the major component of monensin, a mixture of antibiotic substances produced by Streptomyces cinnamonensis. An antiprotozoal, it is used as the sodium salt as a feed additive for the prevention of coccidiosis in poultry and as a growth promoter in cattle. It has the role of ionophore . It has the role of antifungal agent . It has the role of coccidiostat . It is also related to or classified as monocarboxylic acid , polyether antibiotic , cyclic hemiketal , spiroketal .
The molecule N1[C@H](C(S[C@]1([H])[C@H](NC([C@@H](C2=CC=C(C=C2)O)N)=O)C(=O)O)(C)C)C([O-])=O N1[C@H](C(S[C@]1([H])[C@H](NC([C@@H](C2=CC=C(C=C2)O)N)=O)C(=O)O)(C)C)C([O-])=O is A   thiazolidinemonocarboxylate anion resulting from proton loss from the carboxy group located on the beta-lactam ring of amoxicilloic acid. It is also related to or classified as thiazolidinemonocarboxylate .
The molecule O1[C@]2(C=C[C@H]3C[C@@](O)(C)CC[C@@H]3[C@]2([C@@H](O)CC1)C)C O1[C@]2(C=C[C@H]3C[C@@](O)(C)CC[C@@H]3[C@]2([C@@H](O)CC1)C)C is Libertalide F. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule O=C([O-])C([NH3+])CCCNC(=[NH2+])N(C)C O=C([O-])C([NH3+])CCCNC(=[NH2+])N(C)C is an alpha-amino-acid cation that is the conjugate acid of N(omega),N(omega)-dimethyl-L-arginine, arising from deprotonation of the carboxy group and protonation of the primary amino and imino groups; major species at pH 7.3. It is a conjugate acid of N(omega),N(omega)-dimethyl-L-arginine . It is also related to or classified as dimethylargininium(1+) .
The molecule O1C([C@@H](O)C(O)[C@@H](OC(=O)C)[C@@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC(OC)=C(O)C=C4)CO O1C([C@@H](O)C(O)[C@@H](OC(=O)C)[C@@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC(OC)=C(O)C=C4)CO is Isorhamnetin 3-(2''-acetylglucoside). It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule C=1(C=2SC=CN2)C=3C(=CC=CC3)NC1 C=1(C=2SC=CN2)C=3C(=CC=CC3)NC1 is an indole phytoalexin that is indole substituted at position 3 by a 1,3-thiazol-2-yl group. It has the role of metabolite . It is also related to or classified as indole phytoalexin , 1,3-thiazoles .
The molecule Cl[Ni--](Cl)(Cl)Cl Cl[Ni--](Cl)(Cl)Cl is tetrachloronickelate(2-). It is also related to or classified as nickel coordination entity , perchlorometallate anion .
The molecule O=C(NC1=NC=C(Cl)C=C1)CSC2=NC3=CC=CC=C3N2 O=C(NC1=NC=C(Cl)C=C1)CSC2=NC3=CC=CC=C3N2 is dCeMM3 (Compound 3) is a glue degrader. dCeMM3 induces ubiquitination and degradation of cyclin K by prompting an interaction of CDK12-cyclin K with a CRL4B ligase complex. It is also related to or classified as organic molecular entity .
The molecule C1[C@]2([C@]3([C@@](C4=C(C=C(OS([O-])(=O)=O)C(=C4)O)CC3)(CC[C@@]2([C@@H](O)C1)C)[H])[H])[H] C1[C@]2([C@]3([C@@](C4=C(C=C(OS([O-])(=O)=O)C(=C4)O)CC3)(CC[C@@]2([C@@H](O)C1)C)[H])[H])[H] is A steroid sulfate oxoanion that is the conjugate base of 2-hydroxy-17beta-estradiol 3-sulfate, obtained by deprotonation of the sulfo group. Its functional parent is 2-hydroxy-17beta-estradiol . It is also related to or classified as steroid sulfate oxoanion .
The molecule COc1ccc2[nH]cc(CCN(C)C)c2c1 COc1ccc2[nH]cc(CCN(C)C)c2c1 is A tryptamine alkaloid that is N,N-dimethyltryptamine substituted by a methoxy group at position 5. It has the role of hallucinogen . It has the role of plant metabolite . Its functional parent is bufotenin . It is also related to or classified as aromatic ether , tryptamine alkaloid , tertiary amino compound .
The molecule O[C@@H]1[C@H](O)[C@@H](OP([O-])([O-])=O)[C@H](OP([O-])([O-])=O)[C@@H](O)[C@@H]1OP([O-])([O-])=O O[C@@H]1[C@H](O)[C@@H](OP([O-])([O-])=O)[C@H](OP([O-])([O-])=O)[C@@H](O)[C@@H]1OP([O-])([O-])=O is hexaanion of 1D-myo-inositol 1,4,5-trisphosphate arising from glabal deprotonation of the phosphate OH groups; major species at pH 7.3. It has the role of Saccharomyces cerevisiae metabolite . It has the role of human metabolite . It is also related to or classified as inositol phosphate oxoanion .
The molecule O(C=1C=2C(CN)=CNC2C=CC1)C O(C=1C=2C(CN)=CNC2C=CC1)C is an aminoalkylindole that is 3-(aminomethyl)indole in which the hydrogen at position 4 has been replaced by a methoxy group. It has the role of Arabidopsis thaliana metabolite . It is also related to or classified as aromatic ether , aminoalkylindole .
The molecule CCCC[C@H]([C@H]([C@H](C[C@H](C[C@@H](CCCC[C@H](C[C@@H](C(C)=O)O)O)O)C)O)O)C CCCC[C@H]([C@H]([C@H](C[C@H](C[C@@H](CCCC[C@H](C[C@@H](C(C)=O)O)O)O)C)O)O)C is A pentol that is 12,16-dimethylicosan-2-one in which the five hydroxy substituents are located at positions 3, 5, 10, 14 and 15. It has the role of bacterial xenobiotic metabolite . It is also related to or classified as ketone  . It is also related to or classified as secondary alcohol  . It is also related to or classified as pentol  .
The molecule FC(F)(F)C(F)(F)N1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F FC(F)(F)C(F)(F)N1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F is perfluoro-N-ethylpiperidine. Its functional parent is N-ethylpiperidine . It is also related to or classified as organofluorine compound  .
The molecule CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO is A fluorinated steroid that is flunisolide in which the hydrogen at position 9 is replaced by fluorine. A corticosteroid with glucocorticoid activity, it is used (both as the anhydrous form and as the dihydrate) in creams, gels and ointments for the treatment of various skin disorders. It has the role of anti-inflammatory drug . It has the role of antipruritic drug . It is also related to or classified as primary alpha-hydroxy ketone  .   It is also related to or classified as 11beta-hydroxy steroid  .     It is also related to or classified as 3-oxo-Delta(1),Delta(4)-steroid  . It is also related to or classified as glucocorticoid , 21-hydroxy steroid , 20-oxo steroid , organic heteropentacyclic compound , fluorinated steroid , cyclic ketal .
The molecule O=C1O[C@@]2(C=C[C@H]3C[C@@](O)(C)CC[C@@H]3[C@@]2(C)[C@H](C1)O)C O=C1O[C@@]2(C=C[C@H]3C[C@@](O)(C)CC[C@@H]3[C@@]2(C)[C@H](C1)O)C is Libertalide E. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule C[C@H]([C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N3CCC[C@H]3C(=O)N1)CC4=CC=CC=C4)CC(=O)N)C(C)C)CC5=CN=CN5)CC(=O)N)CC6=CC=CC=C6)O is a homodetic cyclic peptide composed of L-asparaginyl, L-phenylalanyl, L-prolyl, L-threonyl, L-histidyl and L-valyl residues linked in a sequence. It is isolated from the seeds of Annona montana and has been shown to exhibit anti-inflammatory activity. It has a role as a metabolite and an anti-inflammatory agent.
The molecule CC(N)CC(N)C(O)=O CC(N)CC(N)C(O)=O is A diamino acid consisting of pentanoic acid having the amino substituents placed in the 2- and 4-positions. It is a conjugate acid of 2,4-diaminopentanoate . It is also related to or classified as diamino acid , non-proteinogenic alpha-amino acid .