anonymous041/ChEBI-Augmented huggingface dataset:
The molecule COC(=O)C[C@@H]1C[C@H](NC1=O)COC2=CC=C(C=C2)C3=CC=C(C=C3)/C(=N/C(=O)OC)/N is a member of the class of pyrrolidin-2-ones that is pyrrolidin-2-one in which the 3-pro-S-hydrogen is substituted by a 2-methoxy-2-oxoethyl group, while the 5-pro-S-hydrogen is substituted by a ({4'-[N-(methoxycarbonyl)carbamimidoyl]biphenyl-4-yl}oxy)methyl group. It is an orally active prodrug of fradafiban, a figrinogen receptor antagonist. It has a role as a prodrug and a platelet glycoprotein-IIb/IIIa receptor antagonist. It is a member of pyrrolidin-2-ones and a methyl ester. It derives from a fradafiban.
The molecule C1=C(C(=C(C(=C1)C(=O)C2=C(N(N=C2)C(C)(C)C)O)C)C3=CC=C(C=C3)OC)S(=O)(=O)C C1=C(C(=C(C(=C1)C(=O)C2=C(N(N=C2)C(C)(C)C)O)C)C3=CC=C(C=C3)OC)S(=O)(=O)C is DAS869. It has the role of herbicide . It has the role of EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor . It is also related to or classified as benzoylpyrazole  .
The molecule C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1NC(=O)[C@H](CC[NH3+])O)O)O[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C[NH3+])O)O)[NH3+])[NH3+] is an organic cation obtained by protonation of the four free amino groups of butirosin B; major species at pH 7.3. It is an ammonium ion derivative and an organic cation. It derives from a neamine(4+). It is a conjugate acid of a butirosin B.
The molecule [H]C([H])(Br)Br [H]C([H])(Br)Br is A member of the class of  bromomethanes that is methane substituted by two bromo groups. It is produced by marine algae. It has the role of marine metabolite . It has the role of algal metabolite . It is also related to or classified as bromohydrocarbon , bromomethanes .
The molecule [C@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)OC[C@@H]([C@@H]([C@@H](CCCCCCCCCCCCCC)O)O)NC(CCCCCC2=CC=C(C=C2)C(F)(F)F)=O [C@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)OC[C@@H]([C@@H]([C@@H](CCCCCCCCCCCCCC)O)O)NC(CCCCCC2=CC=C(C=C2)C(F)(F)F)=O is A glycophytoceramide having an alpha-D-galactopyranosyl residue at the O-1 position and a 6-(4-trifluoromethyl)hexanoyl group attached to the nitrogen. Its functional parent is alpha-D-galactose . It is also related to or classified as glycophytoceramide .
The molecule CN(C)CC#CC1=CC=C(C=C1)[C@@H]2[C@@H]3CN(CCCCN3[C@H]2CO)CC4CC4 CN(C)CC#CC1=CC=C(C=C1)[C@@H]2[C@@H]3CN(CCCCN3[C@H]2CO)CC4CC4 is [(8R,9R,10R)-6-(cyclopropylmethyl)-9-[4-[3-(dimethylamino)prop-1-ynyl]phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule CC1=C(C([O-])=O)C2=C(C=CC(F)=C2)N=C1C1=CC=C(C=C1)C1=CC=CC=C1F CC1=C(C([O-])=O)C2=C(C=CC(F)=C2)N=C1C1=CC=C(C=C1)C1=CC=CC=C1F is A quinolinemonocarboxylate that is the conjugate base of brequinar arising from the deprotonation of the carboxy group. Major microspecies at pH 7.3. It is also related to or classified as quinolinemonocarboxylate .
The molecule [H][C@]12CN(CC3CC3)C[C@]([H])(CN(CC3CC3)C1)C21CCCC1 [H][C@]12CN(CC3CC3)C[C@]([H])(CN(CC3CC3)C1)C21CCCC1 is A member of the class of diazabicyclononanes that is (1s,5s)-3,7-diazaspiro[bicyclo[3.3.1]nonane-9,1'-cyclopentane] in which the hydrogens at positions 3 and 7 are replaced by cyclopropylmethyl groups. It is a potassium channel blocker and an antiarrhythmic agent currently currently in development for the treatment of atrial fibrillation. It has the role of anti-arrhythmia drug . It has the role of potassium channel blocker . It is also related to or classified as diazabicyclononane , cyclopentanes , azaspiro compound , cyclopropanes .
The molecule C1[C@](OC(C[C@@H](C(C([C@@H]([C@H]([C@H](CCC[C@@]2([C@]1(O2)[H])C)C)O)C)=O)(C)C)O)=O)(/C(=C/C=3N=C(SC3)C)/C)[H] C1[C@](OC(C[C@@H](C(C([C@@H]([C@H]([C@H](CCC[C@@]2([C@]1(O2)[H])C)C)O)C)=O)(C)C)O)=O)(/C(=C/C=3N=C(SC3)C)/C)[H] is an epithilone that is epithilone D in which the double bond in the macrocyclic ring has been oxidised to the corresponding epoxide (the S,S stereoisomer). It has the role of antineoplastic agent . It has the role of microtubule-stabilising agent . It has the role of apoptosis inducer . It is also related to or classified as epoxide  . It is also related to or classified as epothilone .
The molecule N[C@@H](CCC(=O)N[C@@H](CS/C(=N\O)/CC1=CC=CC=C1)C(=O)NCC(=O)O)C(=O)O N[C@@H](CCC(=O)N[C@@H](CS/C(=N\O)/CC1=CC=CC=C1)C(=O)NCC(=O)O)C(=O)O is A glutathione conjugate in which the mercapto hydrogen of glutathione has been replaced by an N-hydroxy-2-phenylethanimidoyl group. It is a conjugate acid of (Z)-1-(glutathione-S-yl)-2-phenylacetohydroximate(1-) . It is also related to or classified as N-hydroxyimidothioate  . It is also related to or classified as glutathione conjugate .
The molecule C(C[C@@H](C(=O)O)N)[C@@H](CN)O is a 5-hydroxylysine consisting of L-lysine having an (S)-hydroxy group at the 5-position. It is an enantiomer of a threo-5-hydroxy-D-lysine.
The molecule [O-]C(=O)C(=O)CS([O-])(=O)=O [O-]C(=O)C(=O)CS([O-])(=O)=O is an organosulfonate oxoanion and 2-oxo monocarboxylic acid anion that is obtained from 3-sulfopyruvic acid by deprotonation of the carboxylic acid and sulfonic acid groups; major species at pH 7.3. It has the role of human metabolite . It is also related to or classified as alkanesulfonate oxoanion  . It is also related to or classified as 2-oxo monocarboxylic acid anion  .
The molecule O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC(=O)C=CC=2C(O)=CC=CC2)CO O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC(=O)C=CC=2C(O)=CC=CC2)CO is beta-D-Glucosyl-2-hydroxycinnamate. Its functional parent is hydroxycinnamic acid . It is also related to or classified as glycoside  .
The molecule C1CC=C(C1)C2=CC=C(C=C2)[C@@H]3[C@@H]4CN(CC(=O)N4[C@H]3CO)C(=O)C5=CC(=CC=C5)F C1CC=C(C1)C2=CC=C(C=C2)[C@@H]3[C@@H]4CN(CC(=O)N4[C@H]3CO)C(=O)C5=CC(=CC=C5)F is (6R,7R,8R)-7-[4-(1-cyclopentenyl)phenyl]-4-[(3-fluorophenyl)-oxomethyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule C[C@H]([C@@H](C(=O)O)N)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C is an O-glycosyl-L-threonine having N-acetyl-beta-D-glucosaminyl as the glycosyl component. It is a non-proteinogenic L-alpha-amino acid, a monosaccharide derivative and an O-glycosyl-L-threonine.
The molecule [C@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)OC[C@@H]([C@@H]([C@@H](CCCCCCCCCCCCCC)O)O)NC(CCCCCC2=CC=C(C=C2)F)=O [C@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)OC[C@@H]([C@@H]([C@@H](CCCCCCCCCCCCCC)O)O)NC(CCCCCC2=CC=C(C=C2)F)=O is A glycophytoceramide having an alpha-D-galactopyranosyl residue at the O-1 position and a 6-(4-fluorophenyl)hexanoyl group attached to the nitrogen. Its functional parent is alpha-D-galactose . It is also related to or classified as glycophytoceramide .
The molecule CCCC#CC1=CC=C(C=C1)[C@@H]2[C@H]3CN(CC(=O)N3[C@@H]2CO)C(=O)CN4CCOCC4 CCCC#CC1=CC=C(C=C1)[C@@H]2[C@H]3CN(CC(=O)N3[C@@H]2CO)C(=O)CN4CCOCC4 is (6S,7R,8S)-8-(hydroxymethyl)-4-[2-(4-morpholinyl)-1-oxoethyl]-7-(4-pent-1-ynylphenyl)-1,4-diazabicyclo[4.2.0]octan-2-one. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule [Hg](N)Cl [Hg](N)Cl is mercuric amidochloride. It is also related to or classified as transition element molecular entity , inorganic chloride .
The molecule [Si](O[C@@H]1[C@@]2([C@]([C@]3([C@@]([C@@]4(C(CC3)=CC(=O)CC4)C)(CC2)[H])[H])(CC1)[H])C)(C)(C)C [Si](O[C@@H]1[C@@]2([C@]([C@]3([C@@]([C@@]4(C(CC3)=CC(=O)CC4)C)(CC2)[H])[H])(CC1)[H])C)(C)(C)C is Silandrone. It has the role of androgen . It is also related to or classified as 3-hydroxy steroid .
The molecule C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3CC3)C(=O)N(C[C@H]1OC)C)C)C(=O)CN4CCOCC4 C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3CC3)C(=O)N(C[C@H]1OC)C)C)C(=O)CN4CCOCC4 is N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-5-[2-(4-morpholinyl)-1-oxoethyl]-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule COC1=CC(=CC(=C1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)OC)[C@@H]3[C@H]([C@@H](CC4=CC(=C(C(=C34)OC)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)OC)CO)CO is a lignan that consists of (+)-lyoniresinol attached to two beta-D-glucopyranosyl units at positions 4 and 4' via glycosidic linkages. Isolated from Indigofera heterantha, it exhibits inhibitory activity against lipoxygenase. It has a role as a metabolite and a lipoxygenase inhibitor. It is a lignan, a beta-D-glucoside, a dimethoxybenzene, a primary alcohol and a member of tetralins. It derives from a (+)-lyoniresinol.
The molecule CCCCCCS(O)(=O)=O CCCCCCS(O)(=O)=O is an alkanesulfonic acid in which the alkyl group directly linked to the sulfo functionality is hexyl. It has the role of chromatographic reagent . It is also related to or classified as alkanesulfonic acid .
The molecule C1(=CC=C(C=C1)C(F)(F)F)CO C1(=CC=C(C=C1)C(F)(F)F)CO is 4-(trifluoromethyl)benzyl alcohol. Its functional parent is benzyl alcohol . It is also related to or classified as aromatic primary alcohol  .
The molecule COc1cc(cc(OC)c1O)-c1oc2cc(O)cc(O)c2c(=O)c1[O-] COc1cc(cc(OC)c1O)-c1oc2cc(O)cc(O)c2c(=O)c1[O-] is the 3-oxoanion of syringetin. It is also related to or classified as flavonol oxoanion  .
The molecule CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])[O-])OC(=O)CCCCCCC/C=C\\C/C=C\\CCCCC is a 1,2-diacyl-sn-glycerol 3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of 1-oleoyl-2-linoleoyl-sn-glycero-3-phosphate. It is a 1,2-diacyl-sn-glycerol 3-phosphate(2-) and a 1-oleoyl-2-acyl-sn-glycero-3-phosphate(2-). It is a conjugate base of a 1-oleoyl-2-linoleoyl-sn-glycero-3-phosphate.
The molecule [C@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)OC[C@@H]([C@@H]([C@@H](CCCCCCCCCCCCCC)O)O)NC(CCCCCC2=CC=C(C=C2)OC)=O [C@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)OC[C@@H]([C@@H]([C@@H](CCCCCCCCCCCCCC)O)O)NC(CCCCCC2=CC=C(C=C2)OC)=O is A glycophytoceramide having an alpha-D-galactopyranosyl residue at the O-1 position and a 6-(4-methoxyphenyl)hexanoyl group attached to the nitrogen. Its functional parent is alpha-D-galactose . It is also related to or classified as glycophytoceramide .
The molecule F[Al-](F)(F)F F[Al-](F)(F)F is tetrafluoroaluminate(1-). It is also related to or classified as aluminium coordination entity , perfluorometallate anion .
The molecule C1=CCCCCN(C([C@]2([C@](C(N[C@]3([C@]1(C3)[H])C(NS(C4CC4)(=O)=O)=O)=O)(C[C@](C2)(OC5=CC(=NC6=C5C=CC(=C6C)OC)C7=NC(=CS7)C(C)C)[H])[H])[H])=O)C C1=CCCCCN(C([C@]2([C@](C(N[C@]3([C@]1(C3)[H])C(NS(C4CC4)(=O)=O)=O)=O)(C[C@](C2)(OC5=CC(=NC6=C5C=CC(=C6C)OC)C7=NC(=CS7)C(C)C)[H])[H])[H])=O)C is simeprevir. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule [H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@]([H])(CC[C@@]34[H])[C@H](C)CCCC(C)C)[C@@]1(C)CC[C@@H](O)C2 [H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@]([H])(CC[C@@]34[H])[C@H](C)CCCC(C)C)[C@@]1(C)CC[C@@H](O)C2 is A 5alpha-chloestane compound having a 3alpha-hydroxy substituent. It has the role of human metabolite .  It is also related to or classified as 5alpha-cholestane  . It is also related to or classified as 3alpha-sterol .
The molecule CC1=NN2C(=C(SC2=N1)C(C3=CC=CO3)N4CCOCC4)O CC1=NN2C(=C(SC2=N1)C(C3=CC=CO3)N4CCOCC4)O is 5-[2-furanyl(4-morpholinyl)methyl]-2-methyl-6-thiazolo[3,2-b][1,2,4]triazolol. It is also related to or classified as organic heterobicyclic compound , organonitrogen heterocyclic compound , organosulfur heterocyclic compound .
The molecule COC1=C(C(=NC(=C1)/C=N/O)C2=CC=CC=N2)OC is a pyridine alkaloid that is 2,2'-bipyridine substituted by methoxy groups at positions 3 and 4 and a (E)-(hydroxyimino)methyl group at position 6. Isolated from the marine-derived actinomycete Actinoalloteichus cyanogriseus, it exhibits antineoplastic activity. It has a role as an antineoplastic agent, a marine metabolite and a bacterial metabolite. It is an aldoxime, an aromatic ether, a member of bipyridines and a pyridine alkaloid. It derives from a hydride of a 2,2'-bipyridine.
The molecule O=C1OC(CC=CC(=O)[C@@H](O)[C@H](CCCC=2C1=C(O)C=C(OC)C2)O)C O=C1OC(CC=CC(=O)[C@@H](O)[C@H](CCCC=2C1=C(O)C=C(OC)C2)O)C is L-783277. It is also related to or classified as macrolide  . It is also related to or classified as resorcinols .
The molecule O([C@H]1[C@H](OC)C[C@@H](CC1)C[C@H]([C@]2(OC(=O)[C@]3(N(CCCC3)C(=O)C(=O)[C@@]4(O[C@@](CC[C@H]4C)(C[C@H](OC)C(C)=CC=CC=C[C@H](C[C@H](C(=O)[C@H](OC)[C@H](O)C(=C[C@H](C(=O)C2)C)C)C)C)[H])O)[H])[H])C)CCOCC O([C@H]1[C@H](OC)C[C@@H](CC1)C[C@H]([C@]2(OC(=O)[C@]3(N(CCCC3)C(=O)C(=O)[C@@]4(O[C@@](CC[C@H]4C)(C[C@H](OC)C(C)=CC=CC=C[C@H](C[C@H](C(=O)[C@H](OC)[C@H](O)C(=C[C@H](C(=O)C2)C)C)C)C)[H])O)[H])[H])C)CCOCC is Umirolimus. It is also related to or classified as lactam  . It is also related to or classified as macrolide  .
The molecule C1=C(C=C(C(=C1O)O)O)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)O)O is a galloyl-beta-D-glucose compound having the galloyl groups in the 1-, 2- and 6-positions. It is a gallate ester and a galloyl beta-D-glucose. It derives from a gallic acid and a beta-D-glucose.
The molecule O(C[C@H](COP([O-])(=O)OC[C@H](COC(CCCCCCC/C=C\CCCCCCCC)=O)O)OC(CCCCCCC/C=C\CCCCCCCC)=O)C(CCCCCCC/C=C\CCCCCCCC)=O O(C[C@H](COP([O-])(=O)OC[C@H](COC(CCCCCCC/C=C\CCCCCCCC)=O)O)OC(CCCCCCC/C=C\CCCCCCCC)=O)C(CCCCCCC/C=C\CCCCCCCC)=O is an acylglycerophosphoacylglycerol(1-) that is the conjugate base of 1,2-dioleoyl-sn-glycero-3-phospho-1'-(3'-oleoyl)-sn-glycerol, obtained by deprotonation of the phosphate OH group; major species at pH 7.3. It is also related to or classified as acylglycerophosphoacylglycerol(1-)  .
The molecule [C@H]([C@@H](COC(CCCCCCC)=O)O)(OC)[C@]1([C@H](NC(C)=O)[C@@H](NC(=N)N)C=C(C(O)=O)O1)[H] [C@H]([C@@H](COC(CCCCCCC)=O)O)(OC)[C@]1([C@H](NC(C)=O)[C@@H](NC(=N)N)C=C(C(O)=O)O1)[H] is laninamivir octanoate hydrate. It is also related to or classified as fatty acid ester  .
The molecule C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)COC)C(=O)N(C[C@H]1OC)C)C)CC3=CC=NC=C3 C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)COC)C(=O)N(C[C@H]1OC)C)C)CC3=CC=NC=C3 is 2-methoxy-N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(pyridin-4-ylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C1(=CC=CC=C1O)C2=CC=CC=C2S(O)=O C1(=CC=CC=C1O)C2=CC=CC=C2S(O)=O is an organosulfinic acid that is benzenesulfinic acid in which the hydrogen at position 2 has been replaced by a 2-hydroxyphenyl group. It is a conjugate acid of 2'-hydroxybiphenyl-2-sulfinate . It is also related to or classified as hydroxybiphenyls  . It is also related to or classified as organosulfinic acid  .
The molecule CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@@H]([C@@H](CCCCCCCCCCC(C)C)O)O is an N-acyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine in which the acyl group has 22 carbons and 0 double bonds. It derives from a 15-methylhexadecaphytosphingosine.
The molecule CCCCCCCCCCCCCCC[C@@H](O)[C@@H]([NH3+])COP([O-])([O-])=O CCCCCCCCCCCCCCC[C@@H](O)[C@@H]([NH3+])COP([O-])([O-])=O is the anion resulting from the addition of a proton to the amino group and the removal of the two acidic protons from the phosphate group of sphinganine 1-phosphate. It has the role of Saccharomyces cerevisiae metabolite . It has the role of human metabolite . It is also related to or classified as sphingoid 1-phosphate(1-)  .
The molecule O([C@@H]1[C@@H](O)[C@H](O)[C@H](O[C@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O[C@@H]4O[C@H]([C@H](O)[C@@H](O)[C@H]4O)C)C3)C5=CC(O)=C(O)C=C5)CO)[C@@H]6O[C@H]([C@H](O)[C@@H](O)[C@H]6O)C O([C@@H]1[C@@H](O)[C@H](O)[C@H](O[C@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O[C@@H]4O[C@H]([C@H](O)[C@@H](O)[C@H]4O)C)C3)C5=CC(O)=C(O)C=C5)CO)[C@@H]6O[C@H]([C@H](O)[C@@H](O)[C@H]6O)C is Quercetin-3-neohesperidoside-7-rhamnoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C(=O)O)CO)O is a nucleoside analogue that is 2'-deoxyuridine in which the hydrogen at position 5 on the uracil ring is replaced by a carboxy group. It has a role as a Mycoplasma genitalium metabolite and a drug metabolite. It is a nucleoside analogue, a pyrimidine 2'-deoxyribonucleoside and an aromatic carboxylic acid. It derives from a uracil.
The molecule CC(=O)OC(COC1=C(C2=C(C=C1)C(=C3C=COC3=N2)OC)OC)C(C)(C)O CC(=O)OC(COC1=C(C2=C(C=C1)C(=C3C=COC3=N2)OC)OC)C(C)(C)O is acetic acid [1-[(4,8-dimethoxy-7-furo[2,3-b]quinolinyl)oxy]-3-hydroxy-3-methylbutan-2-yl] ester. It is also related to or classified as organic heterotricyclic compound , organonitrogen heterocyclic compound , oxacycle .
The molecule C(NCC([O-])=O)(=O)C1=C([131I])C=CC=C1.[Na+] C(NCC([O-])=O)(=O)C1=C([131I])C=CC=C1.[Na+] is sodium 2-((131)I)iodohippurate. It has the role of radiopharmaceutical . Its functional parent is N-benzoylglycine .  It is also related to or classified as sodium 2-iodohippurate  . It is also related to or classified as isotopically modified compound , organic sodium salt .
The molecule C1CCC(=CC1)C2=CC=C(C=C2)[C@H]3[C@H](N[C@@H]3C#N)CO C1CCC(=CC1)C2=CC=C(C=C2)[C@H]3[C@H](N[C@@H]3C#N)CO is (2S,3R,4S)-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule CC1=CC(=CC(=C1C(=O)OC(C)CC2=C(C(=CC(=C2)O)O)C(=O)OC(C)CC3=C(C(=CC(=C3)O)O)C(=O)OC(C)CC4=C(C(=CC(=C4)O)O)C(=O)O)O)O is a polyphenol which is the benzoate ester obtained by formal condensation of the hydroxy ester derivative produced by the successive intermolecular condensation of 3 molecules of 2,4-dihydroxy-6-(2-hydroxypropyl)benzoic acid with the carboxy OH of o-orsellinic acid. It is isolated from the Fungus strain no.17415 and exhibits activity against the infectivity of influenza A virus. It has a role as a metabolite and an EC 3.2.1.18 (exo-alpha-sialidase) inhibitor. It is a polyphenol and a benzoate ester. It derives from an o-orsellinic acid.
The molecule Cc1cc2Nc3c([nH]c(=O)[nH]c3=O)N(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C Cc1cc2Nc3c([nH]c(=O)[nH]c3=O)N(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C is 1,5-dihydroriboflavin.  It is also related to or classified as 1,5-dihydroflavin  . It is also related to or classified as dihydroriboflavins .
The molecule COc1ccccc1O COc1ccccc1O is A  monomethoxybenzene that consists of phenol with a methoxy substituent at the ortho position. It has the role of disinfectant . It has the role of plant metabolite . It has the role of expectorant . It has the role of EC 1.1.1.25 (shikimate dehydrogenase) inhibitor . Its functional parent is catechol . It is also related to or classified as guaiacols  .
The molecule CC1=C(C2=C(C=C1)N=C(S2)C3=CC4=C(C=C3)N=C(S4)C5=CC=C(C=C5)N)S(=O)(=O)O is a member of the class of benzothiazoles that is 2,6'-bi-1,3-benzothiazole substituted at positions 2' 6 and 7 by 4-aminophenyl, methyl and sulfo groups respectively. The monosodium salt is the biological dye 'primuline'. It has a role as a fluorochrome and a histological dye. It is a member of benzothiazoles, a ring assembly, a substituted aniline and an arenesulfonic acid. It is a conjugate acid of a 2'-(4-aminophenyl)-6-methyl[2,6'-bi-1,3-benzothiazole]-7-sulfonate.
The molecule [C@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)OC[C@@H]([C@@H]([C@@H](CCCCCCCCCCCCCC)O)O)NC(CCCCCCCCCCCCCCCCCCCCCCCCC=2C=CC=CC2)=O [C@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)OC[C@@H]([C@@H]([C@@H](CCCCCCCCCCCCCC)O)O)NC(CCCCCCCCCCCCCCCCCCCCCCCCC=2C=CC=CC2)=O is A glycophytoceramide having an alpha-D-galactopyranosyl residue at the O-1 position and a 25-phenylpentacosanoyl group attached to the nitrogen. Its functional parent is alpha-D-galactose . It is also related to or classified as glycophytoceramide .
The molecule CN(C)C(=O)C[C@H]1C=C[C@H]([C@H](O1)CO)NC(=O)C2=CC=C(C=C2)F CN(C)C(=O)C[C@H]1C=C[C@H]([C@H](O1)CO)NC(=O)C2=CC=C(C=C2)F is N-[(2S,3R,6S)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-4-fluorobenzamide. It is also related to or classified as organohalogen compound  . It is also related to or classified as carbonyl compound .
The molecule C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=C(C=C34)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)O is a steroid glucosiduronic acid that is 2-hydroxyestrone having a single beta-D-glucuronic acid residue attached at position 2. It is a beta-D-glucosiduronic acid, a 17-oxo steroid, a steroid glucosiduronic acid and a 3-hydroxy steroid. It derives from a 2-hydroxyestrone. It is a conjugate acid of a 2-hydroxyestrone 2-O-(beta-D-glucuronide)(1-).
The molecule OC(=O)CC1(C[C@@H]([C@H](C1)C)C)CN OC(=O)CC1(C[C@@H]([C@H](C1)C)C)CN is Atagabalin. Its functional parent is gamma-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C(NCC([O-])=O)(=O)C1=C(C=CC=C1)I.[Na+] C(NCC([O-])=O)(=O)C1=C(C=CC=C1)I.[Na+] is an organic sodium salt resulting from the formal reaction of equimolar amounts of 2-iodohippuric acid and sodium. It has been used as a contrast agent in urography. Isotopologues labelled with radioactive iodine were formerly used for determination of effective renal plasma flow. It has also been used labelled with radioactive iodine (iodine-125 or iodine-131) in tests of renal function and in renal imaging. It has the role of radioopaque medium . It is also related to or classified as organic sodium salt .
The molecule C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)F)C(=O)N(C[C@@H]1OC)C)C)C C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)F)C(=O)N(C[C@@H]1OC)C)C)C is 3-fluoro-N-[(4S,7R,8R)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C is an epithilone that is epithilone D in which the double bond in the macrocyclic ring has been oxidised to the corresponding epoxide (the S,S stereoisomer). It has a role as an apoptosis inducer, an antineoplastic agent and a microtubule-stabilising agent. It is an epothilone and an epoxide.
The molecule O1C(C(O)C(O)C(O)C1OC=2C(=O)C=3C(OC2C4=CC(O)=C(O)C=C4)=CC(OC5OC(C(O)C(O)C5O)C(O)=O)=CC3O)C O1C(C(O)C(O)C(O)C1OC=2C(=O)C=3C(OC2C4=CC(O)=C(O)C=C4)=CC(OC5OC(C(O)C(O)C5O)C(O)=O)=CC3O)C is Quercetin 7-glucuronide 3-rhamnoside. It is also related to or classified as glucosiduronic acid , flavonoids .
The molecule CC(C)(C)C1=C(\C=C2/NC(=O)\C(NC2=O)=C\C2=CC=CC=C2)N=CN1 CC(C)(C)C1=C(\C=C2/NC(=O)\C(NC2=O)=C\C2=CC=CC=C2)N=CN1 is A member of the class of 2,5-diketopiperazines that is piperazine-2,5-dione substituted by benzylidene and (5-tert-butyl-1H-imidazol-4-yl)methylidene groups at positions 3 and 6, respectively. It is a vascular disrupting agent and a microtubule destabalising agent which was in clinical trials (now discontinued) for the treatment of non-small cell lung cancer. It has the role of antineoplastic agent . It has the role of angiogenesis inhibitor . It has the role of microtubule-destabilising agent . It has the role of apoptosis inducer .   It is also related to or classified as 2,5-diketopiperazines  . It is also related to or classified as benzenes , imidazoles , olefinic compound .
The molecule C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)CC3=CC(=C(C=C3)Cl)Cl C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)CC3=CC(=C(C=C3)Cl)Cl is (3R,9R,10S)-9-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .