anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(C)=O)[C@@]3(C)C[C@H](O)[C@]2(F)[C@@]2(C)C=CC(=O)C=C12 C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(C)=O)[C@@]3(C)C[C@H](O)[C@]2(F)[C@@]2(C)C=CC(=O)C=C12 is A member of the class of glucocorticoids that is Delta(1)-progesterone substituted at positions 11beta and 17 by hydroxy groups, at position 6alpha by a methyl group and at position 9 by a fluoro group. Used for the treatment of corticosteroid-responsive inflammation of the palpebral and bulbar conjunctiva, cornea and anterior segment of the globe. It has the role of anti-inflammatory drug . Its functional parent is Delta(1)-progesterone . It is also related to or classified as tertiary 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 , 17alpha-hydroxy steroid , 20-oxo steroid , fluorinated steroid .
The molecule CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C(=C(O2)C3=CC=CC=C3)OC)C is a 7-hydroxyflavonol that is 3-O-methylgalangin substituted by a prenyl group at position 8. It is a 7-hydroxyflavonol, a dihydroxyflavone and a monomethoxyflavone. It derives from a galangin.
The molecule CN[C@H]1C[C@@H](N)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@@H]3O[C@@]4(O[C@H](C(N)CO)[C@H](O)[C@H](O)[C@H]4O)O[C@H]23)[C@@H]1O CN[C@H]1C[C@@H](N)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@@H]3O[C@@]4(O[C@H](C(N)CO)[C@H](O)[C@H](O)[C@H]4O)O[C@H]23)[C@@H]1O is hygromycin B. It has the role of anthelminthic drug .  It is also related to or classified as ortho ester  . It is also related to or classified as hygromycin .
The molecule CN(C)CCc1c[nH]c2ccccc12 CN(C)CCc1c[nH]c2ccccc12 is A tryptamine derivative having two N-methyl substituents on the side-chain. Its functional parent is tryptamine . It is also related to or classified as tryptamine alkaloid , tryptamines .
The molecule [O-]C(=O)\C=C/C(=C\C([O-])=O)C([O-])=O [O-]C(=O)\C=C/C(=C\C([O-])=O)C([O-])=O is trianion of 3-carboxy-cis,cis-muconic acid arising from deprotonation of all three carboxylic acid functions. It is also related to or classified as tricarboxylic acid trianion .
The molecule C(O)(C1=C(C=CC(=C1)C)C2=NC(C(N2)=O)(C(C)C)C)=O C(O)(C1=C(C=CC(=C1)C)C2=NC(C(N2)=O)(C(C)C)C)=O is an imidazolone that is 1,5-dihydro-4H-imidazol-4-one which is substituted at position 2 by a 2-carboxy-4-methylphenyl group, and at position 5 by methyl and isopropyl groups. It is also related to or classified as imidazolone , benzoic acids .
The molecule O=C1C2=C(O)C3=C(C=C(C)OC3)C=C2[C@H](O)[C@@H](C1)OC O=C1C2=C(O)C3=C(C=C(C)OC3)C=C2[C@H](O)[C@@H](C1)OC is Chrysanthone B. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule C(C#N)CNCCC#N C(C#N)CNCCC#N is used in medical research (neurotoxin) and as a chemical intermediate; [HSDB]. It is also related to or classified as organic molecular entity .
The molecule C(C(O)=O)C/C=C\C/C=C\C/C=C\CC(/C=C/C=C\C/C=C\CC)O C(C(O)=O)C/C=C\C/C=C\C/C=C\CC(/C=C/C=C\C/C=C\CC)O is A hydroxydocosahexaenoic acid that consists of (4Z,7Z,10Z,14E,16Z,19Z)-docosahexaenoic acid bearing an additional 13-hydroxy substituent. It has the role of mouse metabolite . It has the role of human xenobiotic metabolite . It is a conjugate acid of (4Z,7Z,10Z,14E,16Z,19Z)-13-hydroxydocosahexaenoate . It is also related to or classified as secondary allylic alcohol  . It is also related to or classified as hydroxydocosahexaenoic acid .
The molecule C=CCN1CCC2=CC(=C(C=C2C(C1)C3=CC=CC=C3)O)O.Br is a hydrobromide salt prepared from N-allyl-1-phenyl-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol and one equivalent of hydrogen bromide. Selective dopamine D1-like receptor partial agonist (IC50 values are 19.7 and 2425 nM for binding to D1-like and D2-like receptors respectively). Centrally active following systemic administration in vivo. It has a role as a dopamine agonist and a prodrug. It contains a N-allyl-1-phenyl-2,3,4,5-tetrahydro-3-benzazepinium-7,8-diol(1+).
The molecule O1C(C2=CC(O)=C(OC)C=C2)=CC(=O)C3=C1C=C(O)C=C3 O1C(C2=CC(O)=C(OC)C=C2)=CC(=O)C3=C1C=C(O)C=C3 is Farnisin. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2C[C@H]([C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)O)O is a hydroxy steroid that consists of 5beta-cardanolide having a double bond at the 20(22)-position as well as hydroxy groups at the 3beta-, 12beta- and 14beta-positions. It has been isolated from the plant species of the genus Digitalis. It has a role as a hapten and a plant metabolite. It is a 3beta-sterol, a 12beta-hydroxy steroid, a 3beta-hydroxy steroid and a 14beta-hydroxy steroid. It is a conjugate acid of a digoxigenin(1-). It derives from a hydride of a 5beta-cardanolide.
The molecule O1CC(CC2=C1C=C(OC)C=C2)C3=C(O)C=C(OC)C=C3 O1CC(CC2=C1C=C(OC)C=C2)C3=C(O)C=C(OC)C=C3 is Isosativan. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule C(/C=C\CCCCC)\C=C/C=C/C=C/[C@H]([C@@H](O)CCCC(=O)OC)SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(NCC(=O)O)=O C(/C=C\CCCCC)\C=C/C=C/C=C/[C@H]([C@@H](O)CCCC(=O)OC)SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(NCC(=O)O)=O is the methyl ester of leukotriene C4, the esterified acid group being the one forming position 1 of the icosatetraenyl chain.  Leukotriene C4 methyl ester is a more lipid-soluble form of leukotriene C4. Its functional parent is leukotriene C4 . It is also related to or classified as leukotriene  . It is also related to or classified as methyl ester  .
The molecule CCCCCCCCCCCCCCCCCCCC CCCCCCCCCCCCCCCCCCCC is A straight chain alkane composed of 20 carbon atoms. It has been isolated from the leaves of Agave attenuata. It has the role of plant metabolite . It is also related to or classified as long-chain alkane  .
The molecule [O-]C(=O)C(F)(F)F [O-]C(=O)C(F)(F)F is trifluoroacetate. Its functional parent is acetate . It is also related to or classified as monocarboxylic acid anion  .
The molecule CCCCCCCCCCCC(=O)N[C@@H]1CCOC1=O CCCCCCCCCCCC(=O)N[C@@H]1CCOC1=O is an N-acyl-L-homoserine lactone having dodecanoyl as the acyl substituent. It is also related to or classified as N-acyl-L-homoserine lactone  .
The molecule C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCCN(C)C)[C@@H](C)CO)C)CN(C)CC3=CC=NC=C3 C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCCN(C)C)[C@@H](C)CO)C)CN(C)CC3=CC=NC=C3 is 4-(dimethylamino)-N-[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C)c([O-])c4c(O)c(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)c(\C=N\N1CC[NH+](C)CC1)c(O)c4c3C2=O CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C)c([O-])c4c(O)c(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)c(\C=N\N1CC[NH+](C)CC1)c(O)c4c3C2=O is A zwitterion obtained by transfer of a proton from the 5-hydroxy group to the tertiary amino group of rifampicin; major species at pH 7.3. It is also related to or classified as zwitterion  .
The molecule C(C(O)P(=O)(O)[O-])[NH3+] is a zwitterion resulting from a transfer of a proton from the phosphonate to the amino group of (2-amino-1-hydroxyethyl)phosphonate. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is a tautomer of a 1-hydroxy-2-aminoethylphosphonic acid.
The molecule COC1=C(C=CC(=C1)S(=O)(=O)O)O is an arenesulfonic acid that is guaiacol sulfated at position 4. Commonly used (in the form of its potassium salt) as an expectorant. It has a role as an expectorant. It is an arenesulfonic acid and a member of guaiacols. It derives from a guaiacol. It is a conjugate acid of a 4-hydroxy-3-methoxybenzene-1-sulfonate.
The molecule O1C(CC=2C1=CC(OC)=C3C2O[C@@H](C=C3)C4=CC=CC=C4)C(C)=C O1C(CC=2C1=CC(OC)=C3C2O[C@@H](C=C3)C4=CC=CC=C4)C(C)=C is Hildgardtene. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule O1C(CCC2=C1C=C(OC)C=C2OC)C3=CC=C(O)C=C3 O1C(CCC2=C1C=C(OC)C=C2OC)C3=CC=C(O)C=C3 is 4'-Hydroxy-5,7-dimethoxyflavan. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule S(OC[C@H]1OC(OC[C@H]2O[C@@H](O)[C@H](NC(=O)C)[C@@H](OC3O[C@@H]([C@H](O)[C@H](O)[C@H]3O)CO)[C@H]2O)[C@H](NC(=O)C)[C@@H](O)[C@@H]1OC4O[C@@H]([C@H](O)[C@H](O)[C@H]4O)CO)(O)(=O)=O S(OC[C@H]1OC(OC[C@H]2O[C@@H](O)[C@H](NC(=O)C)[C@@H](OC3O[C@@H]([C@H](O)[C@H](O)[C@H]3O)CO)[C@H]2O)[C@H](NC(=O)C)[C@@H](O)[C@@H]1OC4O[C@@H]([C@H](O)[C@H](O)[C@H]4O)CO)(O)(=O)=O is [(2R,3S,4R,5R)-5-Acetamido-6-[[(2R,3R,4R,5R,6R)-5-acetamido-3,6-dihydroxy-4-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-4-hydroxy-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl hydrogen sulfate. It is also related to or classified as carbohydrates and carbohydrate derivatives .
The molecule OC1=CC(O)=CC(=C1)CCC OC1=CC(O)=CC(=C1)CCC is A 5-alkylresorcinol in which the alkyl group is specified as propyl. It has the role of semiochemical . It has the role of animal metabolite . It has the role of fungal metabolite . It has the role of lichen metabolite . It is also related to or classified as 5-alkylresorcinol  .
The molecule C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2OC3=CC4=C(C=C(C=C4[O+]=C3C5=CC(=C(C=C5)O)O)O)O)CO)O)O)O)O)O is an anthocyanin cation that is cyanidin(1+) carrying a beta-D-xylosyl-(1->2)-beta-D-galactosyl substituent at position 3. It is an anthocyanin cation, an anthocyanidin glycoside and a disaccharide derivative. It derives from a cyanidin cation. It is a conjugate acid of a cyanidin 3-O-[beta-D-xylosyl-(1->2)-beta-D-galactoside](1-).
The molecule O(CC(O)CNC(C)C)C1=C(CC=C)C=C(O)C=C1 O(CC(O)CNC(C)C)C1=C(CC=C)C=C(O)C=C1 is 4-Hydroxy-alprenolol. It is also related to or classified as phenols  . It is also related to or classified as aromatic ether .
The molecule C=1(C(=CC=CC1Cl)Cl)/C=N/NC(=N)N.C(C)(=O)O C=1(C(=CC=CC1Cl)Cl)/C=N/NC(=N)N.C(C)(=O)O is Guanabenz acetate. It has the role of geroprotector . It is also related to or classified as dichlorobenzene  .
The molecule COC(=O)CC[C@H](N)C(O)=O COC(=O)CC[C@H](N)C(O)=O is A glutamic acid 5-methyl ester having L-configuration. It is also related to or classified as glutamic acid 5-methyl ester  . It is also related to or classified as non-proteinogenic L-alpha-amino acid , L-glutamic acid derivative .
The molecule CCCCCCC=CCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O)OC(=O)CCCCCCCCCC=CCCCCCC is a CDP-diacylglycerol in which the acyl groups at positions 1 and 2 are specified as octadec-11-enoyl. It has a role as a Mycoplasma genitalium metabolite.
The molecule [Ni+] [Ni+] is nickel(1+). It is also related to or classified as monoatomic monocation  . It is also related to or classified as nickel cation .
The molecule CCCCCCCCCCCCCCCCCCCCCCCC(C(C(=O)N[C@@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1OC2[C@H]([C@H]([C@@H]([C@H](O2)COP(=O)(O)OC3[C@@H]([C@H](C([C@H]([C@H]3O)O)O)O)O)O)O)O)O)O)O)O)[C@@H](C(CCCCCCCCCCCCCC)O)O)O)O is an inositol phosphomannosylinositol phosphoceramide compound having an inositol 1-phosphoryl group attached to the mannose residue (at the 6-position) and a hexacosanoyl group attached to the ceramide nitrogen, hydroxylation at C-4 of the C18 sphingoid base, and hydroxylation at C-2 and C-3 of the C26 very-long-chain fatty acid. It has a role as a Saccharomyces cerevisiae metabolite. It derives from a Man-1-2-Ins-1-P-Cer(t18:0/2,3-OH-26:0). It is a conjugate acid of an Ins-1-P-6-Man-1-2-Ins-1-P-Cer(t18:0/2,3-OH-26:0)(2-).
The molecule CC(C)C(=O)\C=C/C(/C(O)=O)=C(/O)C(O)=O CC(C)C(=O)\C=C/C(/C(O)=O)=C(/O)C(O)=O is an oxo dicarboxylic acid that is 3-carboxy-6-oxoocta-2,4-dienoic acid carrying additional hydroxy and methyl substituents at positions 2 and 7 respectively. It is a conjugate acid of 2-hydroxy-3-carboxylato-6-oxo-7-methylocta-2,4-dienoate .  It is also related to or classified as 2-hydroxy carboxylic acid  . It is also related to or classified as oxo dicarboxylic acid , olefinic compound .
The molecule O=C1C2=C(O[C@H]3O[C@@H](C(=O)O)[C@H](O)[C@H]([C@@H]3O)O)C=CC=C2C(=O)[C@@]45[C@@]1(O4)[C@@H](O[C@H](C5)CC(=O)OC)C O=C1C2=C(O[C@H]3O[C@@H](C(=O)O)[C@H](O)[C@H]([C@@H]3O)O)C=CC=C2C(=O)[C@@]45[C@@]1(O4)[C@@H](O[C@H](C5)CC(=O)OC)C is Naquihexcin K. It is also related to or classified as glycoside  . It is also related to or classified as benzochromenone .
The molecule OCc1[nH]c(Cc2[nH]c(Cc3[nH]c(Cc4[nH]cc(CCC(O)=O)c4CC(O)=O)c(CCC(O)=O)c3CC(O)=O)c(CCC(O)=O)c2CC(O)=O)c(CCC(O)=O)c1CC(O)=O OCc1[nH]c(Cc2[nH]c(Cc3[nH]c(Cc4[nH]cc(CCC(O)=O)c4CC(O)=O)c(CCC(O)=O)c3CC(O)=O)c(CCC(O)=O)c2CC(O)=O)c(CCC(O)=O)c1CC(O)=O is preuroporphyrinogen. It has the role of mouse metabolite . It has the role of Escherichia coli metabolite . It is a conjugate acid of preuroporphyrinogen(8-) . It is also related to or classified as bilanes .
The molecule C=1(NC(/C=C/2\NC(C(=C2C)C=C)=O)=C(C1C)C=C)CC=3NC(\C=C/4\C(=C(C(N4)=O)C)CCC([O-])=O)=C(C3C)CCC([O-])=O C=1(NC(/C=C/2\NC(C(=C2C)C=C)=O)=C(C1C)C=C)CC=3NC(\C=C/4\C(=C(C(N4)=O)C)CCC([O-])=O)=C(C3C)CCC([O-])=O is major species at pH 7.3. It is also related to or classified as procion yellow MX-4R  . It is also related to or classified as linear tetrapyrrole anion .
The molecule OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c([O-])cc2oc(cc(=O)c2c1O)-c1ccc(O)c(O)c1 OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c([O-])cc2oc(cc(=O)c2c1O)-c1ccc(O)c(O)c1 is A flavonoid oxoanion that is the conjugate base of isoorientin, arising from selective deprotonation of the 7-hydroxy group; major species at pH 7.3. It is also related to or classified as flavonoid oxoanion .
The molecule C1[C@](N2C(N=C(C(=C2)CO)N)=O)(O[C@](COP(OP(=O)([O-])[O-])(=O)[O-])([C@H]1O)[H])[H] C1[C@](N2C(N=C(C(=C2)CO)N)=O)(O[C@](COP(OP(=O)([O-])[O-])(=O)[O-])([C@H]1O)[H])[H] is A 2'-deoxyribonucleoside 5'-diphosphate obtained by deprotonation of the three diphosphate OH groups of 2'-deoxy-5-(hydroxymethyl)cytidine 5'-diphosphate ; major species at pH 7.3. Its functional parent is dCDP(3-) . It is also related to or classified as 2'-deoxyribonucleoside 5'-diphosphate(3-)  .
The molecule C(C(=O)[C@@H](C(=O)O)O)OP(=O)(O)O is the ketoaldonic acid phosphate formed formally from L-erythronic acid by oxidation of the 3-hydroxy group to an oxo group and phosphorylation at the 1-hydroxy group. It derives from a L-erythronic acid. It is a conjugate acid of a (S)-2-hydroxy-3-oxo-4-(phosphonatooxy)butanoate(3-). It is an enantiomer of a (R)-2-hydroxy-3-oxo-4-(phosphonooxy)butanoic acid.
The molecule C#[N+]C1CCCCC1 C#[N+]C1CCCCC1 is an organic cation that is the conjugate acid of cyclohexyl isocyanide, arising from protonation of the negatively charged methylidyne carbon; major species at pH 7.3. It is a conjugate acid of cyclohexyl isocyanide . It is also related to or classified as organic cation .
The molecule CC\C=C/CCOC(=O)CC(C)C CC\C=C/CCOC(=O)CC(C)C is A 3-hexenyl isovalerate in which the double bond adopts cis-configuration. It has the role of insect attractant . It has the role of volatile oil component . It is also related to or classified as 3-hexenyl isovalerate  .
The molecule C1=C(C=C2C(=C1O)C(=O)C3=CC(=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O is a xanthone glycoside that is norathyriol attached to a beta-D-glucopyranosyl residue at position 6 via a glycosidic linkage. It has a role as a plant metabolite. It is a polyphenol, a beta-D-glucoside, a monosaccharide derivative and a xanthone glycoside. It derives from a norathyriol.
The molecule NC1=NN2C=C(F)C=NC2=C1C(=O)NC1=CN=CC(F)=C1N1CCC(CC1)C(=O)N1CCN(CC1)C1COC1 NC1=NN2C=C(F)C=NC2=C1C(=O)NC1=CN=CC(F)=C1N1CCC(CC1)C(=O)N1CCN(CC1)C1COC1 is A member of the class of pyrazolopyrimidines that is pyrazolo[1,5-a]pyrimidine substituted by amino, N-[5-fluoro-4-(4-{[4-(oxetan-3-yl)piperazin-1-yl]carbonyl}piperidin-1-yl)pyridin-3-yl]aminoacyl, and fluoro groups at positions 2, 3 and 6, respectively. It is an inhibitor of ataxia telangiectasia and Rad3 related (ATR) kinase that exhibits antineoplastic activity. It has the role of antineoplastic agent . It has the role of EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor . It has the role of EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor . It is also related to or classified as secondary carboxamide  .   It is also related to or classified as organofluorine compound  . It is also related to or classified as pyridines , aromatic amine , pyrazolopyrimidine , oxetanes , N-acylpiperazine , piperidinecarboxamide , primary amino compound .
The molecule O1C(C=CC2=C1C=C3N(C4=C(C(=O)C3=C2O)C=CC(O)=C4OC)C)(C)C O1C(C=CC2=C1C=C3N(C4=C(C(=O)C3=C2O)C=CC(O)=C4OC)C)(C)C is Honyumine. Its functional parent is acridone . It is also related to or classified as acridines .
The molecule O=C1C(=O)C=C(OC)C2=C1C=C3OC(C)=CC(C3=C2OC)=O O=C1C(=O)C=C(OC)C2=C1C=C3OC(C)=CC(C3=C2OC)=O is Canarione dimethylether. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule CC(=O)C(=CC1=CC=CC=C1)CC(=O)O CC(=O)C(=CC1=CC=CC=C1)CC(=O)O is 4-oxo-3-(phenylmethylene)pentanoic acid. Its functional parent is cinnamic acid . It is also related to or classified as olefinic compound .
The molecule Cc1ccc(cc1)S([O-])(=O)=O.CC[N+](C)(C)Cc1ccccc1Br Cc1ccc(cc1)S([O-])(=O)=O.CC[N+](C)(C)Cc1ccccc1Br is the tosylate salt of bretylium.  It blocks noradrenaline release from the peripheral sympathetic nervous system, and is used in emergency medicine, cardiology, and other specialties for the acute management of ventricular tachycardia and ventricular fibrillation. It has the role of antihypertensive agent . It has the role of adrenergic antagonist . It has the role of anti-arrhythmia drug . It is also related to or classified as quaternary ammonium salt , organosulfonate salt .
The molecule CC/C=C\\C/C=C\\C/C=C\\CC1C(O1)C/C=C\\C/C=C\\CCC(=O)[O-] 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. It is a docosanoid anion and a long-chain fatty acid anion. It derives from a (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate. It is a conjugate base of a (4Z,7Z,13Z,16Z,19Z)-10,11-epoxydocosapentaenoic acid.
The molecule C[C@@H](O)[C@H](N)C(O)=O C[C@@H](O)[C@H](N)C(O)=O is an optically active form of threonine having L-configuration. It has the role of micronutrient . It has the role of nutraceutical . It has the role of mouse metabolite . It has the role of Saccharomyces cerevisiae metabolite . It has the role of plant metabolite . It has the role of Escherichia coli metabolite . It has the role of human metabolite . It has the role of algal metabolite . It is a conjugate acid of L-threoninate .  It is also related to or classified as threonine  . It is also related to or classified as L-alpha-amino acid  . It is also related to or classified as aspartate family amino acid , proteinogenic amino acid .
The molecule OC[C@@H](OC(CCCCCCCCCCCCC)=O)COP(=O)([O-])OCC[N+](C)(C)C OC[C@@H](OC(CCCCCCCCCCCCC)=O)COP(=O)([O-])OCC[N+](C)(C)C is A 2-acyl-sn-glycero-3-phosphocholine in which the acyl group is specified as tertadecanoyl (myristoyl). It has the role of plant metabolite . It has the role of human metabolite . It is also related to or classified as 2-acyl-sn-glycero-3-phosphocholine  . It is also related to or classified as lysophosphatidylcholine 14:0  .
The molecule C1C(OC2=CC=CC=C2C1=O)C3=CC(=CC=C3)O is a monohydroxyflavanone in which the hydroxy group is located at position 3'. It has a role as a metabolite. It is a monohydroxyflavanone and a member of 3'-hydroxyflavanones.
The molecule CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(N)=O CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(N)=O is A 32-membered heterodetic cyclic peptide comprising the sequence Cys-Ser-Asn-Leu-Ser-Thr-Cys-Val-Leu-Gly-Lys-Leu-Ser-Gln-Glu-Leu-His-Lys-Leu-Gln-Thr-Tyr-Pro-Arg-Thr-Asn-Thr-Gly-Ser-Gly-Thr-Pro-NH2 cyclised by a disulfide bridge between the two Cys residues at positions 1 and 7. It has the role of metabolite . It has the role of bone density conservation agent . It is also related to or classified as polypeptide  . It is also related to or classified as heterodetic cyclic peptide , peptide hormone .
The molecule O=C1C(=O)C=C(O)C2=C1C=C3OC(C)=CC(C3=C2O)=O O=C1C(=O)C=C(O)C2=C1C=C3OC(C)=CC(C3=C2O)=O is Canarione. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule O=C(CCC/C=C\C/C=C\C/C=C\C/C=C\[C@H](CCCC)O)O O=C(CCC/C=C\C/C=C\C/C=C\C/C=C\[C@H](CCCC)O)O is A 16-HETE in which the chiral centre at position 16 has S-configuration. It has the role of anti-inflammatory agent . It has the role of human xenobiotic metabolite . It is a conjugate acid of 16(S)-HETE(1-) . It is also related to or classified as 16-HETE  .
The molecule C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@H](C)CO)C)CN(C)C C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@H](C)CO)C)CN(C)C is N-[(3R,9R,10R)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule OS(O)(=O)=O.NC(=N)NCC1COC2(CCCCC2)O1.NC(=N)NCC1COC2(CCCCC2)O1 OS(O)(=O)=O.NC(=N)NCC1COC2(CCCCC2)O1.NC(=N)NCC1COC2(CCCCC2)O1 is an organic sulfate salt resulting from the reaction of 2 eq. guanadrel with 1 eq. sulfuric acid. A postganglionic adrenergic blocking agent formerly used for the management of hypertension, it has been largely superseded by other drugs less likely to cause orthostatic hypotension (dizzy spells on standing up or stretching). It has the role of antihypertensive agent . It has the role of adrenergic antagonist . It is also related to or classified as organic sulfate salt .
The molecule C[C@H]1[C@@H](C[C@H]([C@@H](O1)OCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(O)O)O)O)O is an acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of oscr#12. It derives from an oscr#10. It is a conjugate acid of an oscr#10-CoA(4-).
The molecule COCCO[C@@H](C)CO[C@H](C)CO[C@H](C)CO[C@H](C)CO[C@@H](C)CO[C@@H](C)CO[C@H](C)CO[C@H](C)COC[C@H](C)N COCCO[C@@H](C)CO[C@H](C)CO[C@H](C)CO[C@H](C)CO[C@@H](C)CO[C@@H](C)CO[C@H](C)CO[C@H](C)COC[C@H](C)N is A polyether composed of eight propylene glycol units capped at both ends by methoxyethyl and 2-aminopropyl groups (PBD entry:1NGX). It has the role of epitope . It is also related to or classified as polyether  .