anonymous041/ChEBI-Augmented huggingface dataset:
The molecule Cl.[H][C@]12C[C@@]3([H])[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C(=O)c1c(O)ccc(Cl)c1[C@H]2O Cl.[H][C@]12C[C@@]3([H])[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C(=O)c1c(O)ccc(Cl)c1[C@H]2O is the hydrochloride salt of demeclocycline. A tetracycline antibiotic, it is used (mainly as the hydrochloride) for the treatment of Lyme disease, acne and bronchitis, as well as for hyponatraemia (low blood sodium concentration) due to the syndrome of inappropriate antidiuretic hormone (SIADH) where fluid restriction alone has been ineffective. It has the role of aquaretic . It has the role of antibacterial drug . It is also related to or classified as hydrochloride .
The molecule CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCc1ccccc1 CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCc1ccccc1 is A glycophytoceramide having an alpha-D-galactopyranosyl residue at the O-1 position and an 8-phenyloctanoyl group attached to the nitrogen. Its functional parent is alpha-D-galactose . It is also related to or classified as glycophytoceramide .
The molecule [H]C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O [H]C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O is an N-formyl amino acid that is L-tyrosine in which one of the hydrogens of the amino group has been replaced by a formyl group. It has the role of Saccharomyces cerevisiae metabolite . It is also related to or classified as N-formyl amino acid , N-acyl-L-tyrosine .
The molecule CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])[O-])[C@@H](/C=C/CCCCCCCCCCCCC)O is a ceramide 1-phosphate(2-) in which the ceramide N-acyl group is specified as docosanoyl. It is a conjugate base of a N-docosanoylsphingosine-1-phosphate.
The molecule C=1(C(=C(Cl)C=CC1)C2SCC(=O)N2C3=NC=4C(C=C3)=CC=CC4)F C=1(C(=C(Cl)C=CC1)C2SCC(=O)N2C3=NC=4C(C=C3)=CC=CC4)F is 2-(2-Chloro-6-fluoro-phenyl)-3-(2-quinolyl)thiazolidin-4-one. It has the role of anticoronaviral agent . It is also related to or classified as quinolines .
The molecule [C@H]1(OP([O-])(OP([O-])(=O)[O-])=O)[C@@H](OP([O-])(=O)[O-])[C@@H](OP([O-])(=O)[O-])[C@@H]([C@H]([C@@H]1OP([O-])(=O)[O-])OP(=O)([O-])[O-])O [C@H]1(OP([O-])(OP([O-])(=O)[O-])=O)[C@@H](OP([O-])(=O)[O-])[C@@H](OP([O-])(=O)[O-])[C@@H]([C@H]([C@@H]1OP([O-])(=O)[O-])OP(=O)([O-])[O-])O is major species at pH 7.3. It is also related to or classified as inositol phosphate oxoanion .
The molecule [NH3+][C@@H](Cn1ccc(=O)[nH]c1=O)C([O-])=O [NH3+][C@@H](Cn1ccc(=O)[nH]c1=O)C([O-])=O is zwitterionic form of 3-(uracil-1-yl)-L-alanine having an anionic carboxy group and a protonated amino group. It is also related to or classified as amino-acid zwitterion .
The molecule C[C@@](CCO)(CC(=O)O)O is the (R)-enantiomer of mevalonic acid. It is a conjugate acid of a (R)-mevalonate. It is an enantiomer of a (S)-mevalonic acid.
The molecule CON(C)C(=O)c1ccccc1 CON(C)C(=O)c1ccccc1 is the Weinreb amide of benzoic acid. It is also related to or classified as Weinreb amide  .
The molecule C12(SCC(N1C3=NC=CC=C3)=O)CCN(CC2)CC4=CC=CC=C4 C12(SCC(N1C3=NC=CC=C3)=O)CCN(CC2)CC4=CC=CC=C4 is 8-Benzyl-4-pyridin-2-yl-1-thia-4,8-diazaspiro[4.5]decan-3-one. It has the role of anticoronaviral agent . It is also related to or classified as piperidines .
The molecule CC(=CCC1=C2C(=C(C=C1O)O)C(=O)[C@@H]([C@H](O2)C3=CC=CC=C3)O)C is a trihydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 3, 5 and 7 and a prenyl group at position 8 respectively. It has a role as a plant metabolite. It is a trihydroxyflavanone, a member of dihydroflavonols and a secondary alpha-hydroxy ketone. It derives from a (2S)-flavanone.
The molecule [H]O[Co-3]1234N5C6=C(C)C7=[N+]1C(=CC1=[N+]2C(=C(C)C2=[N+]3[C@@](C)([C@@]5([H])[C@H](CC(N)=O)[C@@]6(C)CCC(=O)NC[C@@H](C)OP([O-])(=O)O[C@H]3[C@@H](O)[C@H](O[C@@H]3CO)n3c[n+]4c4cc(C)c(C)cc34)[C@@](C)(CC(N)=O)[C@@H]2CCC(N)=O)[C@@](C)(CC(N)=O)[C@@H]1CCC(N)=O)C(C)(C)[C@@H]7CCC(N)=O [H]O[Co-3]1234N5C6=C(C)C7=[N+]1C(=CC1=[N+]2C(=C(C)C2=[N+]3[C@@](C)([C@@]5([H])[C@H](CC(N)=O)[C@@]6(C)CCC(=O)NC[C@@H](C)OP([O-])(=O)O[C@H]3[C@@H](O)[C@H](O[C@@H]3CO)n3c[n+]4c4cc(C)c(C)cc34)[C@@](C)(CC(N)=O)[C@@H]2CCC(N)=O)[C@@](C)(CC(N)=O)[C@@H]1CCC(N)=O)C(C)(C)[C@@H]7CCC(N)=O is hydroxocobalamin. It has the role of anti-anaemic agent . It has the role of antidote to cyanide poisoning . It is also related to or classified as cobalamins .
The molecule C=1C2=C(C=CC1C#CC(C)(C)O)NC3=C2C4=C(CC3)C=NC(=N4)N C=1C2=C(C=CC1C#CC(C)(C)O)NC3=C2C4=C(CC3)C=NC(=N4)N is an indolyl pyrimidinamine compound resulting from the Sonogashira coupling of 10-bromo-6,7-dihydro-5H-pyrimido[5,4-c]carbazol-2-amine with 2-methylbut-3-yn-2-ol. It is also related to or classified as organic molecular entity .
The molecule CCCCCCCCCCCCCCCC(O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CCCCCCCCCCCCCCCC(O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 is A 3-hydroxy fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3-hydroxyoctadecanoic acid. It has the role of mouse metabolite . It has the role of Saccharomyces cerevisiae metabolite . It has the role of Escherichia coli metabolite . It has the role of human metabolite . Its functional parent is 3-hydroxyoctadecanoic acid . It is a conjugate acid of 3-hydroxyoctadecanoyl-CoA(4-) . It is also related to or classified as 3-hydroxy fatty acyl-CoA  . It is also related to or classified as long-chain fatty acyl-CoA  . It is also related to or classified as 11,12-saturated fatty acyl-CoA  .
The molecule NP(O)O NP(O)O is A derivative of phosphorous acid in which one of the acidic hydroxy groups has been replaced by amino. It is also related to or classified as phosphorous acid derivative .
The molecule C1(/C=C(/C=C\2/SC3=C(C=C(C(=C3)C)C)N2CC)\CC)=[N+](CC)C=4C=CC=5C(=CC=CC5)C4S1 C1(/C=C(/C=C\2/SC3=C(C=C(C(=C3)C)C)N2CC)\CC)=[N+](CC)C=4C=CC=5C(=CC=CC5)C4S1 is 3-Ethyl-2-[(E)-2-[(E)-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)methyl]but-1-enyl]benzo[g][1,3]benzothiazol-3-ium. It has the role of anticoronaviral agent . It is also related to or classified as naphthothiazole .
The molecule CSCCC(=O)C(=O)COP(O)(O)=O CSCCC(=O)C(=O)COP(O)(O)=O is 5-(methylsulfanyl)-2,3-dioxopentyl phosphate. It is a conjugate acid of 5-(methylsulfanyl)-2,3-dioxopentyl phosphate(2-) . It is also related to or classified as aliphatic sulfide , oxoalkyl phosphate , alpha-diketone .
The molecule C(CCCCCCCCCO)CCCCCCCC[C@H](CC(=O)O)O is a dihydroxy monocarboxylic acid that is 21-hydroxyhenicosanoic acid in which the pro-R hydrogen beta to the carboxy group is replaced by a hydroxy group. It is a 3-hydroxy carboxylic acid, an omega-hydroxy fatty acid, a dihydroxy monocarboxylic acid and a long-chain fatty acid. It derives from a 21-hydroxyhenicosanoic acid.
The molecule C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@@H]2[C@@H](O)[C@H](O)O[C@H](CO)[C@H]2O)[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]2O[C@@H]2[C@@H](O)[C@H](O)O[C@H](CO)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O is A trisaccharide consisting of alpha-L-fucose, beta-D-galactose and beta-D-glucose residues joined by sequential (1->2)- and (1->3)-linkages. It is also related to or classified as trisaccharide .
The molecule C=1C=C2SC(=[N+](C2=CC1)CC)/C=C/3\CC(C)CC(=C3)/C=C/C=C/4\N(C5=C(S4)C=CC=C5)CC C=1C=C2SC(=[N+](C2=CC1)CC)/C=C/3\CC(C)CC(=C3)/C=C/C=C/4\N(C5=C(S4)C=CC=C5)CC is (2Z)-3-Ethyl-2-[[(3Z)-3-[(E)-3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-5-methylcyclohexen-1-yl]methylidene]-1,3-benzothiazole. It has the role of anticoronaviral agent . It is also related to or classified as benzothiazoles .
The molecule C1(C(N2C1CC(C2C(O)=O)SCCN)=O)C C1(C(N2C1CC(C2C(O)=O)SCCN)=O)C is A beta-lactam that is 7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid carrying additional (2-aminoethyl)sulfanyl and methyl substituents at positions 3 and 6 respectively. An intermediate in the biosynthesis of carbapenem. It has the role of bacterial metabolite .    It is also related to or classified as beta-lactam  . It is also related to or classified as aliphatic sulfide , monocarboxylic acid , organic heterobicyclic compound , primary amino compound .
The molecule S([C@]1(NC(=O)[C@]2(SC)CC=3[C@H](N2C1=O)[C@@H](OC(=O)C)C=COC3)CC4=C(O)C=CC=C4)C S([C@]1(NC(=O)[C@]2(SC)CC=3[C@H](N2C1=O)[C@@H](OC(=O)C)C=COC3)CC4=C(O)C=CC=C4)C is Emestrin L. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CCCC/C=C/C=O is a monounsaturated fatty aldehyde that is (2E)-hept-2-ene which is carrying an oxo group at position 1. Found in the peel of Malaysian pink and white pomelo peel and in the scent gland secretion of the rice stink bug Oebalus pugnax. It has a role as a plant metabolite and a uremic toxin. It is an enal, a monounsaturated fatty aldehyde and a medium-chain fatty aldehyde.
The molecule CCC(C)(O)C(=O)C([O-])=O CCC(C)(O)C(=O)C([O-])=O is the conjugate base of 3-hydroxy-3-methyl-2-oxopentanoic acid. Its functional parent is valerate . It is also related to or classified as 2-oxo monocarboxylic acid anion  . It is also related to or classified as hydroxy monocarboxylic acid anion , branched-chain saturated fatty acid anion .
The molecule [NH3+][C@@H](CC(=O)OP([O-])([O-])=O)C([O-])=O [NH3+][C@@H](CC(=O)OP([O-])([O-])=O)C([O-])=O is dianionic form of 4-phosphonato-L-aspartic acid having carboxylic acid and phosphate functions in anionic form and a protonated nitrogen. It is also related to or classified as organophosphate oxoanion .
The molecule C=1C(=CC=C(N(C)C)C1)C2N(C(CS2)=O)C3=NC=CC=C3 C=1C(=CC=C(N(C)C)C1)C2N(C(CS2)=O)C3=NC=CC=C3 is 2-(4-Dimethylaminophenyl)-3-(2-pyridyl)thiazolidin-4-one. It has the role of anticoronaviral agent . It is also related to or classified as dialkylarylamine , tertiary amino compound .
The molecule O1C(OC(C)=O)[C@H](O)[C@H](O)[C@H]1COP(OP(OC[C@@H]2[C@H]([C@H]([C@H](N3C4=NC=NC(=C4N=C3)N)O2)O)O)(=O)[O-])(=O)[O-] O1C(OC(C)=O)[C@H](O)[C@H](O)[C@H]1COP(OP(OC[C@@H]2[C@H]([C@H]([C@H](N3C4=NC=NC(=C4N=C3)N)O2)O)O)(=O)[O-])(=O)[O-] is A nucleotide-sugar oxoanion arising from deprotonation of the diphosphate OH groups of 1''-O-acetyl-ADP-D-ribose; major species at pH 7.3. It is also related to or classified as nucleotide-sugar oxoanion .
The molecule CCCCCCCCCCCCCCC[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CCCCCCCCCCCCCCC[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 is (S)-3-hydroxyoctadecanoyl-CoA. Its functional parent is (S)-3-hydroxyoctadecanoic acid . It is a conjugate acid of (3S)-3-hydroxyoctadecanoyl-CoA(4-) . It is also related to or classified as 3-hydroxyoctadecanoyl-CoA  .
The molecule [H]C(OP(O)(O)=O)=C(O)C(=O)CCSC [H]C(OP(O)(O)=O)=C(O)C(=O)CCSC is 2-hydroxy-5-(methylsulfanyl)-3-oxopent-1-enyl phosphate. It is a conjugate acid of 2-hydroxy-5-(methylsulfanyl)-3-oxopent-1-enyl phosphate(2-) .    It is also related to or classified as methyl sulfide  . It is also related to or classified as aliphatic sulfide , oxoalkyl phosphate , hydroxyalkyl phosphate .
The molecule C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OS(=O)(=O)O)O)O is a quercetin sulfate with a sulfo group at position 3. It is a tetrahydroxyflavone and a quercetin sulfate. It is a conjugate acid of a quercetin 3-sulfate(2-).
The molecule Br/C=C/C#CCCCCCCCC/C=C/CCCC(=O)OC Br/C=C/C#CCCCCCCCC/C=C/CCCC(=O)OC is methyl (5E,17E)-18-bromooctadeca-5,17-dien-15-ynoate. It is also related to or classified as fatty acid methyl ester  .
The molecule C1=CC(=CC=C1C2SCC(N2C3=NC=CC=C3)=O)C4=C5C(=NC=C4)C=CC=C5 C1=CC(=CC=C1C2SCC(N2C3=NC=CC=C3)=O)C4=C5C(=NC=C4)C=CC=C5 is 3-Pyridin-2-yl-2-(4-quinolin-4-ylphenyl)-1,3-thiazolidin-4-one. It has the role of anticoronaviral agent . It is also related to or classified as quinolines .
The molecule C1(=C(C=C2C(=C1)CCN([C@@H]2C)C)O)O C1(=C(C=C2C(=C1)CCN([C@@H]2C)C)O)O is (R)-N-Methylsalsolinol. Its functional parent is (R)-salsolinol . It is also related to or classified as isoquinolines .
The molecule CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(O)=O CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(O)=O is A tripeptide composed of L-isoleucine, L-lrucine, and L-proline joined in sequence by peptide linkages. Its functional parent is L-proline . It is also related to or classified as tripeptide  .
The molecule O1[C@H](OC(C)=O)[C@H](O)[C@H](O)[C@H]1COP(OP(OC[C@@H]2[C@H]([C@H]([C@H](N3C4=NC=NC(=C4N=C3)N)O2)O)O)(=O)[O-])(=O)[O-] O1[C@H](OC(C)=O)[C@H](O)[C@H](O)[C@H]1COP(OP(OC[C@@H]2[C@H]([C@H]([C@H](N3C4=NC=NC(=C4N=C3)N)O2)O)O)(=O)[O-])(=O)[O-] is 1''-O-acetyl-ADP-alpha-D-ribose(2-). It is also related to or classified as 1''-O-acetyl-ADP-D-ribose(2-)  . It is also related to or classified as nucleotide-sugar oxoanion .
The molecule CSCCC(=O)C(=O)COP([O-])([O-])=O CSCCC(=O)C(=O)COP([O-])([O-])=O is dianion of 5-(methylsulfanyl)-2,3-dioxopentyl phosphate. It has the role of Saccharomyces cerevisiae metabolite . It has the role of human metabolite . It is also related to or classified as organophosphate oxoanion .
The molecule C1C[C@]([C@@]2(CCC(=C)[C@@H]([C@@]2(C)C1)CCC3=CCOC3=O)[H])(C)C(=O)O C1C[C@]([C@@]2(CCC(=C)[C@@H]([C@@]2(C)C1)CCC3=CCOC3=O)[H])(C)C(=O)O is Pinusolidic acid. It has the role of anticoronaviral agent . It is also related to or classified as diterpene lactone .
The molecule C[C@@]1(CC[C@@H](C([C@@H]1CC[C@@]2([C@H](CC=C3[C@H]2CC4=C(C=CC(=C4)C(=O)O)OC3)Br)C)(C)C)Br)O is a dibenzooxepine diterpenoid that is hexahydrodibenzo[b,e]oxepine-2-carboxylic acid with an isolated double bond between positions 6a and 7 and is substituted by a bromo, 2-[(1S,3S,6S)-3-bromo-6-hydroxy-2,2,6-trimethylcyclohexyl]ethyl and a methyl group at positions 9, 10 and 10 respectively (the 9S,10S,10aR stereoisomer). It is isolated from the Fijian red alga Callophycus serratus and exhibits antibacterial, antimalarial and anticancer activities. It has a role as a metabolite, an antibacterial agent, an antimalarial and an antineoplastic agent. It is a member of benzoic acids, a cyclic ether, a dibenzooxepine, a diterpenoid, an organobromine compound and a tertiary alcohol.
The molecule O=C1C(O)=C(O)C(=O)C=2C1=C(O)C=C(OC)C2 O=C1C(O)=C(O)C(=O)C=2C1=C(O)C=C(OC)C2 is 7-O-methylspinochrome B (2, 3,5trihydroxy-7-methoxy-l , 4-naphthoquinone). It is also related to or classified as naphthoquinone .
The molecule OC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2cc(I)c(O)c(I)c2oc2c(I)c(=O)c(I)cc12 OC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2cc(I)c(O)c(I)c2oc2c(I)c(=O)c(I)cc12 is A xanthene dye that is fluorescein bearing bromine substituents at positions 2', 4', 5' and 7' (on the xanthene ring) and iodine substituents at position 2, 3, 4, and 5 (on the phenyl ring). The dipotassium salt is the biological stain 'rose bengal'. It has the role of fluorochrome . Its functional parent is fluorescin . It is a conjugate acid of rose bengal(2-) .  It is also related to or classified as tetrachlorobenzene  . It is also related to or classified as phenols  . It is also related to or classified as organoiodine compound  . It is also related to or classified as benzoic acids , xanthene dye .
The molecule C1(=C(C=C2C(=C1)CC[NH+]([C@@H]2C)C)O)O C1(=C(C=C2C(=C1)CC[NH+]([C@@H]2C)C)O)O is the conjugate acid of (R)-N-methylsalsolinol obtained by protonation of the imino group; major species at pH 7.3. It is a conjugate acid of (R)-N-Methylsalsolinol . It is also related to or classified as isoquinolines .
The molecule N1(C([C@H](C1)NC(/C(/C=2C=CC(OCC[C@@H](C(=O)O)N)=CC2)=N\O)=O)=O)[C@@H](C(O)=O)C3=CC=C(C=C3)O N1(C([C@H](C1)NC(/C(/C=2C=CC(OCC[C@@H](C(=O)O)N)=CC2)=N\O)=O)=O)[C@@H](C(O)=O)C3=CC=C(C=C3)O is A nocardicin in which the beta-lactam moiety is substituted at position 1 by a carboxy(4-hydroxyphenyl)methyl group and at position 3 by a [(2Z)-2-(hydroxyimino)-2-(4-hydroxyphenyl)acetyl]nitrilo group in which the phenolic hydroxy group is substituted by a (3S)-3-amino-3-carboxypropyl group. Its functional parent is D-4-hydroxyphenylglycine . Its functional parent is L-homoserine .  It is also related to or classified as phenols  . It is also related to or classified as nocardicin , aromatic ether , dicarboxylic acid , non-proteinogenic L-alpha-amino acid .
The molecule [Li+].[Li+].[O-]c1c([O-])c(=O)c1=O [Li+].[Li+].[O-]c1c([O-])c(=O)c1=O is an organic lithium salt which is the dilithium salt of squaric acid. It is also related to or classified as organic lithium salt .
The molecule O=C(O)[C@]12[C@@]([C@@]3([C@]([C@]4([C@@]([C@@]5([C@](C(C(=O)CC5)(C)C)(CC4)[H])C)(CC3)[H])C)(CC1)C)[H])([C@@H](CC2)C(=C)C)[H] O=C(O)[C@]12[C@@]([C@@]3([C@]([C@]4([C@@]([C@@]5([C@](C(C(=O)CC5)(C)C)(CC4)[H])C)(CC3)[H])C)(CC1)C)[H])([C@@H](CC2)C(=C)C)[H] is Betulonic acid. It has the role of anticoronaviral agent . It is also related to or classified as triterpenoid  .
The molecule COc1cc(N2CCOCCOCCN(CCOCC2)c2cc(OC)c(NC(=O)c3ccc(c(c3)C([O-])=O)-c3c4cc(Cl)c([O-])cc4oc4cc(=O)c(Cl)cc34)cc2OC)c(OC)cc1NC(=O)c1ccc(c(c1)C([O-])=O)-c1c2cc(Cl)c([O-])cc2oc2cc(=O)c(Cl)cc12 COc1cc(N2CCOCCOCCN(CCOCC2)c2cc(OC)c(NC(=O)c3ccc(c(c3)C([O-])=O)-c3c4cc(Cl)c([O-])cc4oc4cc(=O)c(Cl)cc34)cc2OC)c(OC)cc1NC(=O)c1ccc(c(c1)C([O-])=O)-c1c2cc(Cl)c([O-])cc2oc2cc(=O)c(Cl)cc12 is the tetracation of sodium green, a fluorescent dye. It has the role of fluorochrome . It is also related to or classified as organic anion .
The molecule CCCCCCCC/C=C\\CCCCCCCC(=O)NCCOC(=O)CCCCCCC/C=C\\CCCCCCCC is a fatty acid ester obtained by formal condensation of the carboxy group of oleic acid with the hydroxy group of oleoyl ethanolamide. It is a fatty acid ester, a fatty amide and a N,O-diacylethanolamine. It derives from an ethanolamine and an oleic acid.
The molecule C[C@H]1[NH2+]CCC2=C1C=C(O)C(O)=C2 C[C@H]1[NH2+]CCC2=C1C=C(O)C(O)=C2 is A secondary ammonium ion that is the conjugate acid of (R)-salsolinol obtained by protonation of the amino group; major species at pH 7.3. It is a conjugate acid of (R)-salsolinol . It is also related to or classified as secondary ammonium ion  .
The molecule N1(C([C@H](C1)NC(/C(/C=2C=CC(OCC[C@@H](C(=O)[O-])[NH3+])=CC2)=N\O)=O)=O)[C@@H](C([O-])=O)C3=CC=C(C=C3)O N1(C([C@H](C1)NC(/C(/C=2C=CC(OCC[C@@H](C(=O)[O-])[NH3+])=CC2)=N\O)=O)=O)[C@@H](C([O-])=O)C3=CC=C(C=C3)O is conjugate base of isonocardicin A zwitterion where both carboxy groups are deprotonated while the homoserine amino group is protonated. It is a conjugate acid of isonocardicin A(2-) . It is also related to or classified as dicarboxylic acid anion .
The molecule ClC1=CC2=CC=C1OC=3C(O)=C4C=C([C@@](NC([C@@]5([H])NC(=O)[C@](CC=6C=C(Cl)C(O4)=CC6)([H])NC(=O)[C@H](NS(=O)(=O)CCCCCC)C=7C=C(C(=CC7)O)OC=8C=C5C=C(C8)O)=O)(C(N[C@]9([H])C%10=CC=C(O)C(=C%10)C%11=C(C=C(C=C%11O)O)[C@H](C(=O)O)NC(=O)[C@@]([H])([C@]2([H])O[C@@H]%12O[C@H](CO)[C@H]([C@@H]([C@H]%12NC(=O)C)O)O)NC9=O)O)[H])C3 ClC1=CC2=CC=C1OC=3C(O)=C4C=C([C@@](NC([C@@]5([H])NC(=O)[C@](CC=6C=C(Cl)C(O4)=CC6)([H])NC(=O)[C@H](NS(=O)(=O)CCCCCC)C=7C=C(C(=CC7)O)OC=8C=C5C=C(C8)O)=O)(C(N[C@]9([H])C%10=CC=C(O)C(=C%10)C%11=C(C=C(C=C%11O)O)[C@H](C(=O)O)NC(=O)[C@@]([H])([C@]2([H])O[C@@H]%12O[C@H](CO)[C@H]([C@@H]([C@H]%12NC(=O)C)O)O)NC9=O)O)[H])C3 is (1R,2R,19R,22R,34S,37R,40R,52R)-2-[(2R,3R,4R,5S,6R)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,15-dichloro-22-(hexylsulfonylamino)-26,31,38,44,47,49,64-heptahydroxy-21,35,54,56,59-pentaoxo-7,13,28-trioxa-20,36,39,53,55,58-hexazaundecacyclo[38.14.2.23,6.214,17.219,34.18,12.123,27.129,33.141,45.010,37.046,51]hexahexaconta-3,5,8,10,12(64),14,16,23(61),24,26,29(60),30,32,41(57),42,44,46(51),47,49,62,65-henicosaene-52-carboxylic acid. It has the role of anticoronaviral agent . It is also related to or classified as oligopeptide  .
The molecule CCCOS(=O)OCCC CCCOS(=O)OCCC is A sulfite ester that is the dipropyl ester of sulfurous acid. It is also related to or classified as sulfite ester .
The molecule COC(=O)C(C(=O)OC\C=C\c1ccccc1)S(=O)(=O)c1ccc(C)cc1 COC(=O)C(C(=O)OC\C=C\c1ccccc1)S(=O)(=O)c1ccc(C)cc1 is A tosylmalonate ester in which the esterifying groups are methyl and trans-cinnamyl. It is also related to or classified as methyl ester  . It is also related to or classified as sulfone  . It is also related to or classified as tosylmalonate ester .
The molecule C(C(C(C(=O)[O-])O)C(=O)[O-])[P+](=O)[O-] is a dicarboxylic acid anion obtained by deprotonation of the carboxy and phosphino groups of phosphinomethylisomalic acid; major species at pH 7.3. It is a conjugate base of a phosphinomethylisomalic acid.
The molecule CC[C@H](C[C@H]([C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O)C(C)C is a 3-oxo steroid that is stigmast-4-en-3-one substituted by a hydroxy group at position 22 (the 22R stereoisomer). Isolated from the whole plants of Haloxylon recurvum, it exhibits chymotrypsin inhibitory activity. It has a role as a metabolite and an EC 3.4.21.1 (chymotrypsin) inhibitor. It is a 22-hydroxy steroid and a 3-oxo-Delta(4) steroid. It derives from a hydride of a stigmastane.
The molecule O[C@H]1[C@@H]([C@H]([C@H](O[C@]2([C@]3([H])C(N[C@H](C4=C(C=5C(O)=CC=C([C@]([H])(C(=O)N3)NC(O)[C@@]6(NC(=O)[C@@]7([H])NC(=O)[C@](CC=8C=C(Cl)C(OC9=C(O)C(=CC6=C9)OC=%10C(Cl)=CC2=CC%10)=CC8)([H])NC(=O)[C@H](N%11N=NC(COCCOCCOCCOCCN%12C=C(COCCCCCCCC)N=N%12)=C%11)C=%13C=C(C(=CC%13)O)OC=%14C=C7C=C(C%14)O)[H])C5)C(O)=CC(O)=C4)C(=O)O)=O)[H])O[C@@H]1CO)NC(=O)C)O O[C@H]1[C@@H]([C@H]([C@H](O[C@]2([C@]3([H])C(N[C@H](C4=C(C=5C(O)=CC=C([C@]([H])(C(=O)N3)NC(O)[C@@]6(NC(=O)[C@@]7([H])NC(=O)[C@](CC=8C=C(Cl)C(OC9=C(O)C(=CC6=C9)OC=%10C(Cl)=CC2=CC%10)=CC8)([H])NC(=O)[C@H](N%11N=NC(COCCOCCOCCOCCN%12C=C(COCCCCCCCC)N=N%12)=C%11)C=%13C=C(C(=CC%13)O)OC=%14C=C7C=C(C%14)O)[H])C5)C(O)=CC(O)=C4)C(=O)O)=O)[H])O[C@@H]1CO)NC(=O)C)O is (1R,2R,19R,22R,34S,37R,40R,52R)-2-[(2R,3R,4R,5S,6R)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,15-dichloro-26,31,38,44,47,49,64-heptahydroxy-22-[4-[2-[2-[2-[2-[4-(octoxymethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]-21,35,54,56,59-pentaoxo-7,13,28-trioxa-20,36,39,53,55,58-hexazaundecacyclo[38.14.2.23,6.214,17.219,34.18,12.123,27.129,33.141,45.010,37.046,51]hexahexaconta-3,5,8,10,12(64),14,16,23(61),24,26,29(60),30,32,41(57),42,44,46(51),47,49,62,65-henicosaene-52-carboxylic acid. It has the role of anticoronaviral agent . It is also related to or classified as oligopeptide  .
The molecule N1(C([C@H](C1)NC(/C(/C=2C=CC(OCC[C@@H](C(=O)[O-])[NH3+])=CC2)=N\O)=O)=O)[C@@H](C(O)=O)C3=CC=C(C=C3)O N1(C([C@H](C1)NC(/C(/C=2C=CC(OCC[C@@H](C(=O)[O-])[NH3+])=CC2)=N\O)=O)=O)[C@@H](C(O)=O)C3=CC=C(C=C3)O is an L-alpha-amino acid zwitterion resulting from the transfer of a proton from the carboxy group to the amino group of isonocardicin A. It is a conjugate acid of isonocardicin A(1-) . It is also related to or classified as L-alpha-amino acid zwitterion  .
The molecule NC(Cc1ccc(O)c(c1)-c1cc(CC(N)C(O)=O)ccc1O)C(O)=O NC(Cc1ccc(O)c(c1)-c1cc(CC(N)C(O)=O)ccc1O)C(O)=O is A biphenyl compound comprising two tyrosine residues linked at carbon-3 of their benzene rings. It has the role of biomarker . It is also related to or classified as biphenyls , tyrosine derivative , non-proteinogenic alpha-amino acid .
The molecule O=C1N2[C@H](C(=O)N3[C@H]1C[C@@H](O)C3)CCC2 O=C1N2[C@H](C(=O)N3[C@H]1C[C@@H](O)C3)CCC2 is L-Prolylhydroxy-L-proline diketopiperazi. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C(OC(C1(CC=2C=CC=CC2)CN(C=3C=CC=CC3)CC=4N=NN(CC=5C=CC(F)=CC5)C14)=O)C C(OC(C1(CC=2C=CC=CC2)CN(C=3C=CC=CC3)CC=4N=NN(CC=5C=CC(F)=CC5)C14)=O)C is Ethyl 7-benzyl-1-[(4-fluorophenyl)methyl]-5-phenyl-4,6-dihydrotriazolo[4,5-c]pyridine-7-carboxylate. It has the role of anticoronaviral agent . It is also related to or classified as triazolopyridine .
The molecule CCCCCCCCCCCCCCCCC(C)C(=O)O is a methyl-branched fatty acid that is octadecanoic (stearic) acid bearing a methyl substituent at position 2. It is a branched-chain saturated fatty acid, a long-chain fatty acid and a methyl-branched fatty acid. It derives from an octadecanoic acid. It is a conjugate acid of a 2-methyloctadecanoate.