anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CCC(=O)N(c1ccccc1)C1(CCN(CCn2nnn(CC)c2=O)CC1)COC CCC(=O)N(c1ccccc1)C1(CCN(CCn2nnn(CC)c2=O)CC1)COC is A member of the class of piperidines that is piperidine having a 2-(4-ethyl-5-oxo-4,5-dihydro-1H-tetrazol-1-yl)ethyl group at the 1-position as well as N-phenylpropanamido- and methoxymethyl groups at the 4-position. It has the role of opioid analgesic . It has the role of central nervous system depressant . It has the role of intravenous anaesthetic . It has the role of peripheral nervous system drug . It has the role of mu-opioid receptor agonist . It is also related to or classified as anilide  . It is also related to or classified as ether  .  It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as piperidines , tetrazoles , tertiary amino compound .
The molecule O(C1C(O)C(O)C(OC1OC=2C(=[O+]C=3C(C2)=C(O)C=C(O)C3)C4=CC(O)=C(O)C=C4)COC(=O)C=CC5=CC=C(O)C=C5)C6OC(C(O)C(O)C6O)CO O(C1C(O)C(O)C(OC1OC=2C(=[O+]C=3C(C2)=C(O)C=C(O)C3)C4=CC(O)=C(O)C=C4)COC(=O)C=CC5=CC=C(O)C=C5)C6OC(C(O)C(O)C6O)CO is [(6-{[2-(3,4-dihydroxyphenyl)-7-hydroxy-5-oxo-5H-chromen-3-yl]oxy}-3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)methyl][1-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-ylidene]oxidanium. It is also related to or classified as glycoside  . It is also related to or classified as flavonoid  .
The molecule C1CCC2=NC3=CC=CC=C3C(=C2C1)N is a member of the class of acridines that is 1,2,3,4-tetrahydroacridine substituted by an amino group at position 9. It is used in the treatment of Alzheimer's disease. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor. It is a member of acridines and an aromatic amine.
The molecule O=C1C(C2=CC=C(O)C=C2)=COC3=C1C=CC(=C3)O[C@@H]4O[C@H]([C@@H](O)[C@H](C4)O)C O=C1C(C2=CC=C(O)C=C2)=COC3=C1C=CC(=C3)O[C@@H]4O[C@H]([C@@H](O)[C@H](C4)O)C is Daidzein-7-(2-deoxy-alpha-L-fucopyranoside). It is also related to or classified as acrovestone  . It is also related to or classified as isoflavonoid .
The molecule O(C1C(O)C(O)C(OC1OC2=CC=C(C=C2)/C=C/C(=O)C3=C(O)C=C(O)C=C3)CO)C4OCC(O)(C4O)CO O(C1C(O)C(O)C(OC1OC2=CC=C(C=C2)/C=C/C(=O)C3=C(O)C=C(O)C=C3)CO)C4OCC(O)(C4O)CO is Licuroside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule [C@]12([C@@](NC(N1)=O)(CS[C@H]2C(O)=O)[H])[H] [C@]12([C@@](NC(N1)=O)(CS[C@H]2C(O)=O)[H])[H] is A member of the class of thienoimidazoles that is 2-oxohexahydrothieno[3,4-d]imidazole carrying an additional carboxy group at position 4 (the 3aS,4R,6aR-diastereomer). It is also related to or classified as monocarboxylic acid , azabicycloalkane , thiabicycloalkane , thienoimidazole , ureas .
The molecule C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)C3=NC=CN=C3)O[C@@H]1CN(C)C(=O)NC4CCCCC4)[C@@H](C)CO C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)C3=NC=CN=C3)O[C@@H]1CN(C)C(=O)NC4CCCCC4)[C@@H](C)CO is N-[(2S,3R)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2-pyrazinecarboxamide. It is also related to or classified as secondary carboxamide  . It is also related to or classified as tertiary carboxamide  . It is also related to or classified as pyrazines , ureas .
The molecule C[C@H]1CC=C2[C@H]([C@]1(C)CCC(C)(C=C)O)CCCC2(C)C is a bicyclic halimane-type diterpenoid produced by the pathogen Mycobacterium tuberculosis as a defense against macrophage attack. The structure was revised in 2010, having been initially thought to be tricyclic. The compound was originally named nosyberkol after it was first isolated in 2004 from a sponge, Raspailia sp., collected from the Nosy Be island of Madagascar. It has a role as a metabolite. It is a halimane diterpenoid, a tertiary alcohol and a carbobicyclic compound.
The molecule O=C(N[C@H]([C@H](O)[C@H](O)CCCCCCCCCCCCCC)CO)[C@H](O)CCCCCCCCCCCCCCCCCCCCCC O=C(N[C@H]([C@H](O)[C@H](O)CCCCCCCCCCCCCC)CO)[C@H](O)CCCCCCCCCCCCCCCCCCCCCC is (2S, 3S, 4R)-2-[(2R)-2-hydroxytetracosanoylamino]-1, 3, 4-octadecanetriol. It is also related to or classified as N-acylphytosphingosine  .
The molecule CC(C)=CCCC(C)(O)C=C CC(C)=CCCC(C)(O)C=C is A monoterpenoid that is octa-1,6-diene substituted by methyl groups at positions 3 and 7 and a hydroxy group at position 3. It has been isolated from plants like Ocimum canum. It has the role of volatile oil component . It has the role of antimicrobial agent . It has the role of fragrance . It has the role of plant metabolite .  It is also related to or classified as tertiary alcohol  . It is also related to or classified as monoterpenoid .
The molecule O=C1C2=C(O)C3=C(O[C@@H]4O[C@H]([C@H](O)[C@H]([C@H]4O)O)C)C=C(C)C=C3C=C2C(=O)C=5C1=C(O[C@@H]6O[C@H]([C@H](O)[C@H]([C@H]6O)O)C)C=CC5 O=C1C2=C(O)C3=C(O[C@@H]4O[C@H]([C@H](O)[C@H]([C@H]4O)O)C)C=C(C)C=C3C=C2C(=O)C=5C1=C(O[C@@H]6O[C@H]([C@H](O)[C@H]([C@H]6O)O)C)C=CC5 is Tetracenoquinocin A. It is also related to or classified as quinone  . It is also related to or classified as tetracenes .
The molecule N[C@@H](Cc1cc(I)c(O)c(I)c1)C(O)=O N[C@@H](Cc1cc(I)c(O)c(I)c1)C(O)=O is A diiodotyrosine that is L-tyrosine carrying iodo-substituents at positions C-3 and C-5 of the benzyl group. It is an intermediate in the thyroid hormone synthesis. It has the role of mouse metabolite . It has the role of human metabolite . It is a conjugate acid of 3,5-diiodo-L-tyrosinate(1-) . It is also related to or classified as diiodotyrosine , non-proteinogenic L-alpha-amino acid , L-tyrosine derivative .
The molecule CC[C@@H]1[C@@H](/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)[NH+](C)C)O)C)C)C is an ammonium ion resulting from the protonation of the amino group of 10-deoxymethymycin. Major species at pH 7.3. It is an organic molecular entity and an ammonium ion derivative. It is a conjugate acid of a 10-deoxymethymycin.
The molecule O=C1C2=C(C3=C(NC4=C3C[C@@H]5CC[C@@]6([C@@]([C@@]45C)(CC[C@H]7[C@@]68O[C@@H]8[C@@H]9O[C@H](C=C(C)C)OC([C@H]9O7)(C)C)C)O)C=C2)C[C@@H]%10[C@H]1C(OC%10(C)C)(C)C O=C1C2=C(C3=C(NC4=C3C[C@@H]5CC[C@@]6([C@@]([C@@]45C)(CC[C@H]7[C@@]68O[C@@H]8[C@@H]9O[C@H](C=C(C)C)OC([C@H]9O7)(C)C)C)O)C=C2)C[C@@H]%10[C@H]1C(OC%10(C)C)(C)C is 31-epiLolitrem B. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule CC[C@H]1CN2CCc3c(O)c(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2c1[nH]c1ccccc21 CC[C@H]1CN2CCc3c(O)c(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2c1[nH]c1ccccc21 is A member of the class of beta-carbolines that is tubulosan bearing methoxy groups at positions 10 and 11 as well as a hydroxy group at position 9. It has the role of plant metabolite . Its functional parent is tubulosan .   It is also related to or classified as phenols  . It is also related to or classified as isoquinoline alkaloid , isoquinolines , aromatic ether , secondary amino compound , tertiary amino compound , beta-carbolines .
The molecule C[C@H]1[C@@H]([C@H](O[C@H]1C2=CC(=C(C=C2)O)OC)C3=CC(=C(C=C3)OC)OC)C is a lignan that is tetrahydrofuran substituted by methyl groups at positions 3 and 4 (relatively trans configuration), a 3,4-dimethoxyphenyl moiety at position 5 (relatively trans to the methyl group at position 4) and a 4-hydroxy-3-methoxyphenyl group at position 2 (relatively cis to the methyl group at position 3). Isolated from the aerial parts of Piper futokadsura, it exhibits inhibitory activity against production of nitric oxide (NO). It has a role as a metabolite and an EC 1.14.13.39 (nitric oxide synthase) inhibitor. It is a lignan, a member of methoxybenzenes, a member of oxolanes and a member of phenols.
The molecule CC1(C)Oc2c(C=C1)c(=O)[nH]c1ccccc21 CC1(C)Oc2c(C=C1)c(=O)[nH]c1ccccc21 is Flindersine. It is also related to or classified as organic heterotricyclic compound , organonitrogen heterocyclic compound , oxacycle .
The molecule C1C[NH2+][C@H](C2=CC(=C(C=C21)O)O)CC3=CC=C(C=C3)O is an organic cation that is the conjugate base of (S)-norcoclaurine: major species at pH 7.3. It is an organic cation and an ammonium ion derivative. It is a conjugate acid of a (S)-norcoclaurine.
The molecule [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1(C)O [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1(C)O is A 17beta-hydroxy steroid that is testosterone bearing a methyl group at the 17alpha position. It has the role of antineoplastic agent . It has the role of anabolic agent . It has the role of androgen . Its functional parent is testosterone . It is also related to or classified as 17beta-hydroxy steroid  . It is also related to or classified as 3-oxo-Delta(4) steroid  . It is also related to or classified as enone  .
The molecule [H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@@H]3C(O)O[C@H](CO)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O)C(O)=O)[C@H](O)[C@H](O)CO [H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@@H]3C(O)O[C@H](CO)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O)C(O)=O)[C@H](O)[C@H](O)CO is A linear amino tetrasaccharide comprising N-acetyl-alpha-neuraminyl, beta-D-galactosyl, N-acetyl-beta-D-glucosaminyl and D-mannose residues linked sequentially (2->6), (1->4) and (1->2). It is also related to or classified as glucosamine oligosaccharide , neuraminic acids , amino tetrasaccharide .
The molecule C[C@H]1C[C@H]([C@@](O[C@@H]1[C@H]2C[C@@H]([C@@H](O2)[C@@]3(CC[C@@H](O3)[C@@]4(CC[C@@]5(O4)C[C@@H]([C@H]([C@H](O5)[C@@H](C)[C@@H]6[C@@H]([C@@H]([C@H]([C@@](O6)([C@H](C)C(=O)[O-])O)C)OC)C)C)O)C)C)C)(C)O)C is a hydroxy monocarboxylic acid anion that is the conjugate base of mutalomycin, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of a mutalomycin.
The molecule O=C1C(C2=CC=C(O[C@@H]3O[C@H]([C@@H](O)[C@H](C3)O)C)C=C2)=COC4=C1C=CC(=C4)O O=C1C(C2=CC=C(O[C@@H]3O[C@H]([C@@H](O)[C@H](C3)O)C)C=C2)=COC4=C1C=CC(=C4)O is Daidzein-4'-(2-deoxy-alpha-L-fucopyranoside). It is also related to or classified as acrovestone  . It is also related to or classified as isoflavonoid .
The molecule CC(=O)NCCCCNCCCN CC(=O)NCCCCNCCCN is an acetylspermidine that is 1,8-diamino-4-azaoctane in which one of the hydrogens of the amino group attached to C-8 is replaced by an acetyl group. It has the role of Escherichia coli metabolite . It has the role of human metabolite . It is also related to or classified as acetylspermidine .
The molecule C(=C\C(C(O)=O)O)(\C=C=O)/CC(C(=O)O)N C(=C\C(C(O)=O)O)(\C=C=O)/CC(C(=O)O)N is an amino dicarboxylic acid that is (Z)-6-aminohept-3-enedioic acid carrying additional hydroxy and oxovinyl substituents at positions 2 and 4 respectively. It is also related to or classified as secondary allylic alcohol  .    It is also related to or classified as ketene  . It is also related to or classified as alanine derivative , oxo dicarboxylic acid , amino dicarboxylic acid .
The molecule C1=CC(=O)OC1C(C(=O)[O-])Cl is a monocarboxylic acid anion that is the conjugate base of 5-chloromuconolactone, obtained by deprotonation of the carboxy group; major species at pH 7.3. It has a role as a bacterial xenobiotic metabolite. It is a conjugate base of a 5-chloromuconolactone.
The molecule COc1ccc(cc1)[C@@H]1CCc2ccc(O)cc2O1 COc1ccc(cc1)[C@@H]1CCc2ccc(O)cc2O1 is A hydroxyflavan that is (2S)-flavan substituted by a hydroxy group at position 7 and a methoxy group at position 4'. It has the role of plant metabolite . Its functional parent is (2S)-flavan . It is also related to or classified as hydroxyflavan , methoxyflavan .
The molecule Oc1cccc(CCC([O-])=O)c1O Oc1cccc(CCC([O-])=O)c1O is the conjugate base of 3-(2,3-dihydroxyphenyl)propanoic acid. Its functional parent is propionate . It is also related to or classified as monocarboxylic acid anion  .
The molecule C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@H]2[C@H]([C@H](O[C@@H]([C@@H]2O)O)CO)O)O)O)O is a glycosylgalactose consisting of alpha-L-fucopyranose and alpha-D-galactopyranose residues joined in sequence by a (1->3) glycosidic bond. It derives from an alpha-L-fucose and an alpha-D-galactose.
The molecule C\C=C\C1=CC2=CC(=O)C(C)(OC(=O)c3c(C)cc(O)cc3O)C(=O)C2=CO1 C\C=C\C1=CC2=CC(=O)C(C)(OC(=O)c3c(C)cc(O)cc3O)C(=O)C2=CO1 is an  azaphilone that is 7,8-dihydro-6H-2-benzopyran substituted by a methyl group at position 7, oxo groups at positions 6 and 8, a propenyl group at position 3 and a (2,4-dihydroxy-6-methylbenzoyl)oxy group at position 7. It is also related to or classified as azaphilone , beta-diketone .
The molecule O=C1O[C@H](C[C@H]2C(=C(O)C(C2)=O)C[C@@H]3[C@@H](C=4C1=C(O)C=C(OC)C4)O3)C O=C1O[C@H](C[C@H]2C(=C(O)C(C2)=O)C[C@@H]3[C@@H](C=4C1=C(O)C=C(OC)C4)O3)C is Paecilomycin O. It is also related to or classified as macrolide  . It is also related to or classified as resorcinols .
The molecule C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CC3=CC=CC=C3)[C@H](C)CO)C)CN(C)CC4=CC=NC=C4 C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CC3=CC=CC=C3)[C@H](C)CO)C)CN(C)CC4=CC=NC=C4 is N-[(3R,9S,10R)-12-[(2R)-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]-2-phenylacetamide. 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@@]4(C)CCC(=O)C(C)(C)[C@]4([H])CC[C@@]3(C)[C@]1(C)CC[C@]1(CCC(C)(C)C=C21)C(O)=O [H][C@]12CC[C@]3([H])[C@@]4(C)CCC(=O)C(C)(C)[C@]4([H])CC[C@@]3(C)[C@]1(C)CC[C@]1(CCC(C)(C)C=C21)C(O)=O is A pentacyclic triterpenoid that is olean-18-ene substituted at position 3 by an oxo group and position 28 by a carboxy group. It has the role of metabolite . It has the role of anti-HIV agent . It has the role of anti-HSV-1 agent . It is also related to or classified as pentacyclic triterpenoid .
The molecule C(#N)SO C(#N)SO is A  sulfur oxoacid that is sulfenic acid in which the hydrogen attached to the sulfur has been replaced by a cyano group. It has the role of antiviral agent . It has the role of antibacterial agent . It has the role of antifungal agent . It has the role of oxidising agent . It has the role of human metabolite . It has the role of rat metabolite . It is also related to or classified as sulfur oxoacid , one-carbon compound .
The molecule C(F)(F)(Cl)Br is a one-carbon compound that is methane in which the hydrogens have been replaced by two fluorines, a bromine, and a chlorine. Widely used in 'vapourising liquid'-type fire extinguishers, its use is now generally banned under the Montreal Protocol (ozone-depleting substances), although it is still used in certain applications (e.g. aviation). It is a one-carbon compound, an organobromine compound, an organochlorine compound and an organofluorine compound.
The molecule O[C@@H](COP(O)(O)=O)[C@H](O)C(O)=O O[C@@H](COP(O)(O)=O)[C@H](O)C(O)=O is 4-phospho-L-erythronic acid. Its functional parent is L-erythronic acid . It is also related to or classified as 4-phosphoerythronic acid .
The molecule C1CCCCC1N2CCCC2 C1CCCCC1N2CCCC2 is an N-alkylpyrrolidine that is pyrrolidine in which the hydrogen attached to the nitrogen has been replaced by a cyclohexyl group. It is also related to or classified as N-alkylpyrrolidine .
The molecule CC(=O)CC(=O)c1c(O)c2C(=O)c3c([O-])cccc3C(=O)c2cc1CC([O-])=O CC(=O)CC(=O)c1c(O)c2C(=O)c3c([O-])cccc3C(=O)c2cc1CC([O-])=O is an oxo monocarboxylic acid anion obtained by deprotonation of the carboxy as well as the 5-hydroxy group of nogalonic acid. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is also related to or classified as oxo monocarboxylic acid anion , phenolate anion .
The molecule [NH-]C(=O)CN(CC([O-])=O)CC([O-])=O [NH-]C(=O)CN(CC([O-])=O)CC([O-])=O is A dicarboxylic acid dianion that is the conjugate base of 2,2'-[(2-amino-2-oxoethyl)imino]diacetate(2-). It is also related to or classified as dicarboxylic acid dianion  . It is also related to or classified as ADA .
The molecule C=1(C(=C(C=CC1)Br)C2N(C(CS2)=O)CC=3SC=CC3)Br C=1(C(=C(C=CC1)Br)C2N(C(CS2)=O)CC=3SC=CC3)Br is 2-(2,6-Dibromophenyl)-3-(2-thienylmethyl)thiazolidin-4-one. It has the role of anticoronaviral agent . It is also related to or classified as organobromine compound  .
The molecule CC[C@H](C)[C@H](C/C=C/C(C)C[C@H]([C@@H](CC)C(=O)[O-])O)OC is the conjugate base of methoxymycolic acid type-2 (VIII). A class of mycolic acids characterized by the presence of a proximal alkenyl group with a trans C=C double bond and a distal (CH-CH3)-(CHO-CH3) fragment of (S,S) stereochemistry in the meromycolic chain.
The molecule O=C1O[C@H](C[C@@H]2C(=C(O)C(C2)=O)C[C@@H]3[C@@H](C=4C1=C(O)C=C(OC)C4)O3)C O=C1O[C@H](C[C@@H]2C(=C(O)C(C2)=O)C[C@@H]3[C@@H](C=4C1=C(O)C=C(OC)C4)O3)C is Paecilomycin N. It is also related to or classified as macrolide  . It is also related to or classified as resorcinols .
The molecule C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)F)[C@H](C)CO)C)CN(C)CC4CC4 C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)F)[C@H](C)CO)C)CN(C)CC4CC4 is 1-[(3R,9R,10S)-9-[[cyclopropylmethyl(methyl)amino]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]-3-(4-fluorophenyl)urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC(=O)C(=O)[C@@H](O)COP(O)(O)=O CC(=O)C(=O)[C@@H](O)COP(O)(O)=O is A monoalkyl phosphate that is pentane substituted at positions 3 and 4 by oxo groups, at position 2 by a hydroxy group and at position 1 by a phosphooxy group (the S-enantiomer). It is a conjugate acid of (2S)-2-hydroxy-3,4-diketopentyl phosphate(2-) . It is also related to or classified as secondary alpha-hydroxy ketone  .   It is also related to or classified as secondary alcohol  . It is also related to or classified as monoalkyl phosphate , alpha-diketone .
The molecule CN(C)CC[C@@](C1=CC=CC2=CC=CC=C21)([C@H](C3=CC=CC=C3)C4=C(N=C5C=CC(=CC5=C4)Br)OC)O is a quinoline-based antimycobacterial drug used (as its fumarate salt) for the treatment of pulmonary multi-drug resistant tuberculosis by inhibition of ATP synthase, an enzyme essential for the replication of the mycobacteria. It has a role as an antitubercular agent and an ATP synthase inhibitor. It is a member of quinolines, a member of naphthalenes, an organobromine compound, an aromatic ether, a tertiary alcohol and a tertiary amino compound. It is a conjugate base of a bedaquiline(2+).
The molecule CC1(C)CCN2CCC(C)(C)c3c2c1cc1cc(-c2nc4ccccc4s2)c(=O)oc31 CC1(C)CCN2CCC(C)(C)c3c2c1cc1cc(-c2nc4ccccc4s2)c(=O)oc31 is C545T. It has the role of fluorochrome . It is also related to or classified as benzothiazoles , 7-aminocoumarins .
The molecule O=[Si]=O O=[Si]=O is A silicon oxide made up of linear triatomic molecules in which a silicon atom is covalently bonded to two oxygens. It is also related to or classified as silicon oxide .
The molecule [C@H](C[C@@]1(CCNC1=O)[H])(C(C2=NC=CS2)=O)NC([C@@H](NC(=O)[C@H](C(C)C)NC(OCC3=CC=CC=C3)=O)CC(C)C)=O [C@H](C[C@@]1(CCNC1=O)[H])(C(C2=NC=CS2)=O)NC([C@@H](NC(=O)[C@H](C(C)C)NC(OCC3=CC=CC=C3)=O)CC(C)C)=O is Benzyl N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]-1-(1,3-thiazol-2-yl)propan-2-yl]amino]pentan-2-yl]amino]-1-oxobutan-2-yl]carbamate. It has the role of anticoronaviral agent . It is also related to or classified as dipeptide  .
The molecule CCCCC/C=C/[C@@H](C)CCOS(=O)(=O)[O-] is an organosulfate oxoanion that is the conjugate base of (3S,4E)-3-methyldec-4-en-1-yl hydrogen sulfate. It has been isolated from Daphnia pulex and has been found to induce morphological changes in the phytoplankton, Scenedesmus gutwinskii. It has a role as a Daphnia pulex metabolite and a kairomone. It is a conjugate base of a (3S,4E)-3-methyldec-4-en-1-yl hydrogen sulfate.
The molecule Cl[C@]12C(=O)C[C@]3(C(=O)OC)C([C@@]1(O)C(C4=C[C@H](O)[C@H]5[C@@]([C@@H]4OC(=O)C6=C(O)C=C(C)C=C6O)(O5)CC=C(C)C)=C[C@]2(C3)C)=O Cl[C@]12C(=O)C[C@]3(C(=O)OC)C([C@@]1(O)C(C4=C[C@H](O)[C@H]5[C@@]([C@@H]4OC(=O)C6=C(O)C=C(C)C=C6O)(O5)CC=C(C)C)=C[C@]2(C3)C)=O is Chloropupukeanone A. Its functional parent is salicylic acid . It is also related to or classified as phenols  . It is also related to or classified as benzoate ester .
The molecule C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=C(ON=C3C)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)NC(=O)NC3=C(ON=C3C)C)[C@@H](C)CO)C)CN(C)C is 1-[(3R,9S,10S)-9-[(dimethylamino)methyl]-12-[(2S)-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]-3-(3,5-dimethyl-4-isoxazolyl)urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule [C@]12([C@@]([C@H](OC1)C3=CC=C(C(=C3)OC)OC)(CO[C@@H]2C=4C=CC5=C(C4)OCO5)[H])[H] [C@]12([C@@]([C@H](OC1)C3=CC=C(C(=C3)OC)OC)(CO[C@@H]2C=4C=CC5=C(C4)OCO5)[H])[H] is A member of the class of furofurans that is tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-1,3-benzodioxole carrying an additional 3,4-dimethoxyphenyl substituent at position 4. It has the role of plant metabolite . It is also related to or classified as lignan  . It is also related to or classified as benzodioxoles , furofuran , dimethoxybenzene .
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)CC3=CC=NC=C3 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)CC3=CC=NC=C3 is 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]methanesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)NS(=O)(=O)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)O is a heparan sulfate composed of a backbone of repeating beta-D-glucuronosyl-(1->4)-N-sulfonyl-alpha-D-glucosamine units joined by (1->4)-linkages. It has a role as a mouse metabolite. It is a member of heparan sulfates, a member of glucuronic acids and a D-glucopyranuronic acid. It is a conjugate acid of a heparosan-N-sulfate D-glucuronate.
The molecule [O-][O+]=O [O-][O+]=O is an elemental molecule with formula O3. An explosive, pale blue gas (b.p. -112degreeC) that has a characteristic, pungent odour, it is continuously produced in the upper atmosphere by the action of solar ultraviolet radiation on atmospheric oxygen. It is an antimicrobial agent used in the production of bottled water, as well as in the treatment of meat, poultry and other foodstuffs. It has the role of mutagen . It has the role of tracer . It has the role of antiseptic drug . It has the role of disinfectant . It has the role of electrophilic reagent . It has the role of oxidising agent . It has the role of greenhouse gas . It is also related to or classified as gas molecular entity , elemental molecule , reactive oxygen species , triatomic oxygen .
The molecule Cl[Fe-](Cl)Cl Cl[Fe-](Cl)Cl is trichloroferrate(1-). It is also related to or classified as iron coordination entity , perchlorometallate anion .
The molecule O1[C@@H]([C@@H](O)C(O)C(O)[C@@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC(OC)=C(O)C=C4)COC(=O)CC(O)=O O1[C@@H]([C@@H](O)C(O)C(O)[C@@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC(OC)=C(O)C=C4)COC(=O)CC(O)=O is Isorhamnetin 3-(6''-malonylglucoside). It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O[C@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)O)[C@@H](C(CCCCCCCCCCCCCC)O)O is a mannosylinositol phosphorylceramide(1-) having a tetracosanoyl group attached to the ceramide nitrogen, with hydroxylation at C-4 of the long-chain base. It is a conjugate base of a Man-beta1-2-Ins-1-P-Cer(t18:0/24:0).
The molecule O=C1N([C@H](C(=O)N[C@H]1CC2=C(O)C=CC=C2O)CC3=CC=CC=C3)C O=C1N([C@H](C(=O)N[C@H]1CC2=C(O)C=CC=C2O)CC3=CC=CC=C3)C is Mactanamide. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .