anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CCCCCCCCC[C@@H](O)CC(=O)N[C@H]1COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)\C(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@@H](CO)NC1=O)=C\C)[C@H](O)C(O)=O)[C@H](O)CCl CCCCCCCCC[C@@H](O)CC(=O)N[C@H]1COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)\C(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@@H](CO)NC1=O)=C\C)[C@H](O)C(O)=O)[C@H](O)CCl is A member of the class of syringomycins that has 3-hydroxydodecanoyl as the fatty acyl tail group. It is isolated from Pseudomonas syringae pv. syringae and exhibits phytotoxic and antifungal properties. It has the role of antifungal agent . It has the role of phytotoxin . It is also related to or classified as lipopeptide antibiotic , syringomycin .
The molecule CS(O)(=O)=O.C1CCC(CC1)c1ccc2n3CCN[C@@H]4CCCc(c34)c2c1 CS(O)(=O)=O.C1CCC(CC1)c1ccc2n3CCN[C@@H]4CCCc(c34)c2c1 is A methanesulfonate (mesylate) salt prepared from equimolar amounts of (R)-tetrindole and methanesulfonic acid. It is also related to or classified as methanesulfonate salt .
The molecule Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 is A member of the class of imidazoles that is 1-ethyl-1H-imidazole in which one of the hydrogens of the methyl group is replaced by a (4-chlorobenzyl)sulfanediyl group while a second is replaced by a 2,4-dichlorophenyl group. It is also related to or classified as organic sulfide  . It is also related to or classified as dichlorobenzene  . It is also related to or classified as imidazoles , monochlorobenzenes .
The molecule Cl.C1CCC(CC1)c1ccc2n3CCNC4CCCc(c34)c2c1 Cl.C1CCC(CC1)c1ccc2n3CCNC4CCCc(c34)c2c1 is A racemate composed of equimolar amounts of (R)- and (S)-tetrindole hydrochloride. It has the role of antidepressant . It has the role of serotonergic agonist . It has the role of EC 1.4.3.4 (monoamine oxidase) inhibitor . It is also related to or classified as racemate .
The molecule Cl.C1CCC(CC1)c1ccc2n3CCN[C@@H]4CCCc(c34)c2c1 Cl.C1CCC(CC1)c1ccc2n3CCN[C@@H]4CCCc(c34)c2c1 is A hydrochloride prepared from equimolar amounts of (R)-tetrindole and hydrochloric acid. It is also related to or classified as hydrochloride .
The molecule CS(O)(=O)=O.C1CCC(CC1)c1ccc2n3CCN[C@H]4CCCc(c34)c2c1 CS(O)(=O)=O.C1CCC(CC1)c1ccc2n3CCN[C@H]4CCCc(c34)c2c1 is A methanesulfonate (mesylate) salt prepared from equimolar amounts of (S)-tetrindole and methanesulfonic acid. It is also related to or classified as methanesulfonate salt .
The molecule CC\C=C/C\C=C/C\C=C/CCCCCCCCCCCC(O)=O CC\C=C/C\C=C/C\C=C/CCCCCCCCCCCC(O)=O is A long-chain omega-3 fatty acid that is docosanoic acid having three double bonds located at positions 13, 16 and 19 (the (13Z,16Z,19Z-geoisomer). It is a conjugate acid of (13Z,16Z,19Z)-docosatrienoate . It is also related to or classified as omega-3 fatty acid , docosatrienoic acid .
The molecule C[C@H]1CN(CCN1)c1cc2n(cc(C(O)=O)c(=O)c2cc1F)-c1ccc(F)cc1F C[C@H]1CN(CCN1)c1cc2n(cc(C(O)=O)c(=O)c2cc1F)-c1ccc(F)cc1F is 1-(2,4-difluorophenyl)-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid that has S configuration. It has the role of antiinfective agent . It has the role of antibacterial drug . It has the role of EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor . It is also related to or classified as 1-(2,4-difluorophenyl)-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid  .
The molecule CC1CN(CCN1)c1cc2n(cc(C(O)=O)c(=O)c2cc1F)-c1ccc(F)cc1F CC1CN(CCN1)c1cc2n(cc(C(O)=O)c(=O)c2cc1F)-c1ccc(F)cc1F is A quinolone that is 4-oxo-1,4-dihydroquinoline-3-carboxylic acid which is substituted at positions 1, 6, and 7 by 2,4-difluorophenyl, fluorine, and 3-methylpiperazin-1-yl groups, respectively.    It is also related to or classified as organofluorine compound  . It is also related to or classified as quinolone , monocarboxylic acid , amino acid , N-arylpiperazine , secondary amino compound , quinolone antibiotic , tertiary amino compound .
The molecule C1CCC(CC1)c1ccc2n3CC[NH2+][C@H]4CCCc(c34)c2c1 C1CCC(CC1)c1ccc2n3CC[NH2+][C@H]4CCCc(c34)c2c1 is (S)-tetrindole(1+). It is a conjugate acid of (S)-tetrindole . It is also related to or classified as organic cation , ammonium ion derivative .
The molecule CCCCCCCCCCCCCCCCOC[C@@H]([NH3+])COP([O-])([O-])=O CCCCCCCCCCCCCCCCOC[C@@H]([NH3+])COP([O-])([O-])=O is an anionic phospholipid that is the conjugate base of 1-O-palmityl-2-desoxy-2-amino-sn-glycero-3-phosphate. Its functional parent is 1-hexadecyl-2-ammonio-2-deoxy-sn-glycerol . It is also related to or classified as anionic phospholipid .
The molecule C1CCC(CC1)c1ccc2n3CC[NH2+][C@@H]4CCCc(c34)c2c1 C1CCC(CC1)c1ccc2n3CC[NH2+][C@@H]4CCCc(c34)c2c1 is an organic cation obtained by protonation of the secondary amino group of (R)-tetrindole. It is a conjugate acid of (R)-tetrindole . It is also related to or classified as organic cation , ammonium ion derivative .
The molecule CCCCCCCCCCCCCCC[C@@H](O)[C@@H](CCCCCCCCCCCCCC)C(=O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O CCCCCCCCCCCCCCC[C@@H](O)[C@@H](CCCCCCCCCCCCCC)C(=O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O is 6-Deoxy-D-glucos-6-yl corynomycolate in which the configurations at the 2- and 3-positions of the corynomycolate moiety are both R. It is also related to or classified as 6-deoxy-D-glucos-6-yl corynomycolate  .
The molecule Cl.C1CCC(CC1)c1ccc2n3CCN[C@H]4CCCc(c34)c2c1 Cl.C1CCC(CC1)c1ccc2n3CCN[C@H]4CCCc(c34)c2c1 is A hydrochloride obtained by combining equimolar amounts of (S)-tetrindole and hydrochloric acid. It is also related to or classified as hydrochloride .
The molecule C1CCC(CC1)c1ccc2n3CCN[C@@H]4CCCc(c34)c2c1 C1CCC(CC1)c1ccc2n3CCN[C@@H]4CCCc(c34)c2c1 is an 8-cyclohexyl-2,3,3a,4,5,6-hexahydropyrazino[3,2,1-jk]carbazole that is the (R)-enantiomer of tetrindole. It is also related to or classified as 8-cyclohexyl-2,3,3a,4,5,6-hexahydropyrazino[3,2,1-jk]carbazole  .
The molecule [O-]C(=O)CCCCCCCC=O [O-]C(=O)CCCCCCCC=O is an aldehydic acid anion that is the conjugate base of 9-oxononanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It has the role of EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor . It is also related to or classified as medium-chain fatty acid anion  .  It is also related to or classified as omega-oxo fatty acid anion  . It is also related to or classified as aldehydic acid anion .
The molecule CCCCCCCCCCCCCCCCCCCCCCCC[C@H]([C@H](O)CCCCCCCCCCCCCCCC\C=C/CCCCCCCCCCCCC\C=C/CCCCCCCCCCCCCCCCCCCC)C(=O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O CCCCCCCCCCCCCCCCCCCCCCCC[C@H]([C@H](O)CCCCCCCCCCCCCCCC\C=C/CCCCCCCCCCCCC\C=C/CCCCCCCCCCCCCCCCCCCC)C(=O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O is A mycolate ester formed by esterification of (2R,3R,20Z,35Z)-3-hydroxy-2-tetracosanylhexapentaconta-20,35-dienoic acid with the 6-OH of D-glucose. (C80 is the average tail length of a reported naturally occurring range of 72-86 carbon atoms.). Its functional parent is D-glucopyranose . It is also related to or classified as mycolate ester .
The molecule CCOC(=O)C1(CCC=CC1N(C)C)c1ccccc1 CCOC(=O)C1(CCC=CC1N(C)C)c1ccccc1 is an amino acid ester that is the ethyl ester of cyclohex-3-ene-1-carboxylic acid in which the cyclohexane ring is substituted at positions 1 and 2 by phenyl and dimethylamino groups, respectively. It has four possible diastereoisomers; the opioid analgesic drug tilidine is a racemate comprising the two trans diastereoisomers. Its functional parent is ethyl 2-(methylamino)-1-phenylcyclohex-3-ene-1-carboxylate . It is also related to or classified as ethyl ester  . It is also related to or classified as amino-acid ester , tertiary amino compound .
The molecule C1CCC(CC1)c1ccc2n3CCNC4CCCc(c34)c2c1 C1CCC(CC1)c1ccc2n3CCNC4CCCc(c34)c2c1 is an organic heterotetracyclic compound that is 2,3,3a,4,5,6-hexahydropyrazino[3,2,1-jk]carbazole carrying a cyclohexyl substituent at position 8. It is also related to or classified as organic heterotetracyclic compound .
The molecule CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@H](CO)COP([O-])(=O)OC[C@H]([NH3+])C([O-])=O CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@H](CO)COP([O-])(=O)OC[C@H]([NH3+])C([O-])=O is A 2-acyl-sn-glycero-3-phosphoserine(1-) in which the 2-acyl group is specified as arachidonoyl. It is also related to or classified as 2-acyl-sn-glycero-3-phosphoserine(1-)  .
The molecule CC\C=C/C\C=C/C\C=C/CCCCCCCCCCCC([O-])=O CC\C=C/C\C=C/C\C=C/CCCCCCCCCCCC([O-])=O is A long-chain polyunsaturated fatty acid anion that is the conjugate base of (13Z,16Z,19Z)-docosatrienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as docosatrienoate  . It is also related to or classified as long-chain fatty acid anion  . It is also related to or classified as polyunsaturated fatty acid anion .
The molecule CCCC(S)CCOC(C)=O CCCC(S)CCOC(C)=O is an acetate ester obtained by formal O-acetylation of 3-mercaptohexanol. It has the role of Saccharomyces cerevisiae metabolite . Its functional parent is 3-mercaptohexanol . It is also related to or classified as acetate ester  . It is also related to or classified as alkanethiol  .
The molecule CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC is A 1,2-diacyl-sn-glycero-3-phosphocholine in which the two acyl substituents at positions 1 and 2 are specified as palmitoyl and butanoyl respectively. Its functional parent is hexadecanoic acid . Its functional parent is butyric acid . It is also related to or classified as 1,2-diacyl-sn-glycero-3-phosphocholine  .
The molecule CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC is A 1,2-diacyl-sn-glycero-3-phosphocholine in which the two acyl substituents at positions 1 and 2 are specified as palmitoyl and valeroyl respectively. Its functional parent is hexadecanoic acid . Its functional parent is valeric acid . It is also related to or classified as 1,2-diacyl-sn-glycero-3-phosphocholine  .
The molecule CCOC(=O)[C@@]1(CCC=C[C@H]1N(C)C)c1ccccc1 CCOC(=O)[C@@]1(CCC=C[C@H]1N(C)C)c1ccccc1 is an ethyl 2-(dimethylamino)-1-phenylcyclohex-3-ene-1-carboxylate that has S configuration at the carbon bearing the phenyl group and R configuration at the carbon bearing the dimethylamino group. The opioid analgesic tilidine is the racemate comprising equimolar amounts of dextilidine and its enantiomer, ent-dextilidine. A prodrug, tilidine is converted by the liver to the active analgesic, nortilidine; virtually all of the opioid activity resides in the (1S,2R) isomer (i.e. the isomer derived from dextilidine). It has the role of opioid analgesic . It has the role of prodrug . It is also related to or classified as ethyl 2-(dimethylamino)-1-phenylcyclohex-3-ene-1-carboxylate  .
The molecule C1CCC(CC1)c1ccc2n3CCN[C@H]4CCCc(c34)c2c1 C1CCC(CC1)c1ccc2n3CCN[C@H]4CCCc(c34)c2c1 is an 8-cyclohexyl-2,3,3a,4,5,6-hexahydropyrazino[3,2,1-jk]carbazole that is the (S)-enantiomer of tetrindole. It is also related to or classified as 8-cyclohexyl-2,3,3a,4,5,6-hexahydropyrazino[3,2,1-jk]carbazole  .
The molecule C[C@@H]1CN(CCN1)c1cc2n(cc(C(O)=O)c(=O)c2cc1F)-c1ccc(F)cc1F C[C@@H]1CN(CCN1)c1cc2n(cc(C(O)=O)c(=O)c2cc1F)-c1ccc(F)cc1F is 1-(2,4-difluorophenyl)-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid that has R configuration. It has the role of antiinfective agent . It has the role of antibacterial drug . It has the role of EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor . It is also related to or classified as 1-(2,4-difluorophenyl)-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid  .
The molecule CCOC(=O)[C@]1(CCC=C[C@@H]1N(C)C)c1ccccc1 CCOC(=O)[C@]1(CCC=C[C@@H]1N(C)C)c1ccccc1 is an ethyl 2-(dimethylamino)-1-phenylcyclohex-3-ene-1-carboxylate that has R configuration at the carbon bearing the phenyl group and S configuration at the carbon bearing the dimethylamino group. It is the enantiomer of dextilidine; the opioid analgesic tilidine is the racemate comprising equimolar amounts of dextilidine and ent-dextilidine. It is also related to or classified as ethyl 2-(dimethylamino)-1-phenylcyclohex-3-ene-1-carboxylate  .
The molecule CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]3CCCN3C(=O)CNC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]3CNCCCC[C@H](NC(=O)[C@@H]4NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CSC[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CSC4C)C(=O)N[C@@H](CS[C@H]2C)C(=O)N3)NC1=O)[C@@H](O)C(O)=O)C(O)=O CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]3CCCN3C(=O)CNC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]3CNCCCC[C@H](NC(=O)[C@@H]4NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CSC[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CSC4C)C(=O)N[C@@H](CS[C@H]2C)C(=O)N3)NC1=O)[C@@H](O)C(O)=O)C(O)=O is A 19-membered heterodetic cyclic peptide that is isolated from Streptoverticillium cinnamoneus. It exhibits antiproliferative properties and induces apoptosis in tumour cells and has been used for treatment of cystic fibrosis. It has the role of antimicrobial agent . It has the role of apoptosis inducer . It has the role of bacterial metabolite .  It is also related to or classified as macrocycle  . It is also related to or classified as heterodetic cyclic peptide .
The molecule N[C@H](Cc1cccs1)C(O)=O N[C@H](Cc1cccs1)C(O)=O is an alanine derivative that is D-alanine in which one of the methyl hydrogens is replaced by a 2-thienyl group. Its functional parent is D-alanine . It is also related to or classified as D-alpha-amino acid  . It is also related to or classified as thiophenes .
The molecule OC(CCl)C(O)=O OC(CCl)C(O)=O is A 2-hydroxy monocarboxylic acid that is lactic acid in which one of the methyl hydrogens is replaced by a chloro group. Its functional parent is rac-lactic acid . It is also related to or classified as organochlorine compound  . It is also related to or classified as 2-hydroxy monocarboxylic acid .
The molecule CCOC(=O)C1(CCC=CC1NC)c1ccccc1 CCOC(=O)C1(CCC=CC1NC)c1ccccc1 is an amino acid ester that is the ethyl ester of cyclohex-3-ene-1-carboxylic acid in which the cyclohexane ring is substituted at positions 1 and 2 by phenyl and methylamino groups, respectively. It is also related to or classified as ethyl ester  . It is also related to or classified as secondary amino compound , beta-amino acid ester .
The molecule CCOC(=O)[C@]1(CCC=C[C@@H]1NC)c1ccccc1 CCOC(=O)[C@]1(CCC=C[C@@H]1NC)c1ccccc1 is an ethyl 2-(methylamino)-1-phenylcyclohex-3-ene-1-carboxylate that is ent-dextilidine in which one of the methyl groups attached to the nitrogen is replaced by hydrogen. ent-Dextilidine is metabolised to (1R,2S)-nortilidine by the liver. It has the role of drug metabolite . It has the role of NMDA receptor antagonist . It is also related to or classified as ethyl 2-(methylamino)-1-phenylcyclohex-3-ene-1-carboxylate  .
The molecule CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(N)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(N)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C is A 3beta-sterol that is cholesterol substituted at position 7 by an amino group. It has the role of antibacterial agent . Its functional parent is cholesterol . It is also related to or classified as 3beta-hydroxy-Delta(5)-steroid  . It is also related to or classified as 3beta-sterol  . It is also related to or classified as cholestanoid , primary amino compound .
The molecule NC(Cc1c[nH]c2ccc(F)cc12)C(O)=O NC(Cc1c[nH]c2ccc(F)cc12)C(O)=O is A non-proteinogenic alpha-amino acid that is tryptophan in which the hydrogen at position 5 on the indole ring is replaced by a fluoro group.  It is also related to or classified as organofluorine compound  . It is also related to or classified as tryptophan derivative , non-proteinogenic alpha-amino acid .
The molecule [Br-].[Br-].C[N+]1(CCCCCCCCCCCCCCCC[N+]2(C)CCCC2)CCCC1 [Br-].[Br-].C[N+]1(CCCCCCCCCCCCCCCC[N+]2(C)CCCC2)CCCC1 is A quaternary ammonium salt that is the dibromide salt of 1,1'-hexadecane-1,16-diylbis(1-methylpyrrolidinium). It is also related to or classified as quaternary ammonium salt , organic bromide salt .
The molecule CCOC(=O)[C@@]1(CCC=C[C@H]1NC)c1ccccc1 CCOC(=O)[C@@]1(CCC=C[C@H]1NC)c1ccccc1 is A ethyl 2-(methylamino)-1-phenylcyclohex-3-ene-1-carboxylate that is dextilidine in which one of the methyl groups attached to the nitrogen is replaced by hydrogen. Dextilidine is a prodrug for  (1S,2R)-nortilidine, being metabolised to it by the liver. It has the role of opioid analgesic . It has the role of drug metabolite . It is also related to or classified as ethyl 2-(methylamino)-1-phenylcyclohex-3-ene-1-carboxylate  .
The molecule Brc1ccc2[nH]c(=O)oc2c1 Brc1ccc2[nH]c(=O)oc2c1 is A member of the class of benzoxazoles that is 2-benzoxazolinone substituted at position 6 by a bromo group. It is also related to or classified as organobromine compound  . It is also related to or classified as benzoxazole .
The molecule C[C@@H]1O[C@@H](O[C@@H]2[C@@H](NC(C)=O)[C@H](O[C@H]3[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]4[C@H](O)[C@@H](O)C(O)O[C@@H]4CO)[C@@H]3O)O[C@H](CO)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O C[C@@H]1O[C@@H](O[C@@H]2[C@@H](NC(C)=O)[C@H](O[C@H]3[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]4[C@H](O)[C@@H](O)C(O)O[C@@H]4CO)[C@@H]3O)O[C@H](CO)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O is an amino pentasaccharide consisting of a di-N-acetylated lactosediamine to which is linked (1->3) an alpha-L-fucosyl residue and which is in turn linked (1->3) to the galectose residue of a second lactose moiety. Saccharide portion of the antigen lacdiNAc fucopentaose-BSA. It is also related to or classified as glucosamine oligosaccharide , amino pentasaccharide .
The molecule CC(C)[C@@H]([NH3+])C(=O)O[C@H](C)[C@@H]1C\C=C/CC[C@H](O)C(C)(C)[C@@H]2CC[C@@H](C)[C@@]3(O[B-]45O[C@H]3C(=O)O[C@H]3C[C@@H](CCC[C@@H](O)C(C)(C)[C@@H]6CC[C@@H](C)[C@@](O4)(O6)[C@@H](O5)C(=O)O1)O[C@@H]3C)O2 CC(C)[C@@H]([NH3+])C(=O)O[C@H](C)[C@@H]1C\C=C/CC[C@H](O)C(C)(C)[C@@H]2CC[C@@H](C)[C@@]3(O[B-]45O[C@H]3C(=O)O[C@H]3C[C@@H](CCC[C@@H](O)C(C)(C)[C@@H]6CC[C@@H](C)[C@@](O4)(O6)[C@@H](O5)C(=O)O1)O[C@@H]3C)O2 is A boron-containing macrolide antibiotic that is isolated from Streptomyces antibioticus. It has the role of antibacterial agent . It has the role of anti-HIV agent . It has the role of bacterial metabolite .   It is also related to or classified as zwitterion  . It is also related to or classified as macrodiolide , macrolide antibiotic , oxaspiro compound , organoboron compound .
The molecule CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC is A 1,2-diacyl-sn-glycero-3-phosphocholine in which the two acyl substituents at positions 1 and 2 are specified as palmitoyl and propionyl respectively. Its functional parent is hexadecanoic acid . Its functional parent is propionic acid . It is also related to or classified as 1,2-diacyl-sn-glycero-3-phosphocholine  .
The molecule C[N+]1(CCCCCCCCCCCCCCCC[N+]2(C)CCCC2)CCCC1 C[N+]1(CCCCCCCCCCCCCCCC[N+]2(C)CCCC2)CCCC1 is A quaternary ammonium ion obtained by methylation of the two tertiary amino groups of 1,1'-hexadecane-1,16-diyldipyrrolidine. It is also related to or classified as quaternary ammonium ion  .
The molecule [Na+].OC[C@H](N=[N+]=[N-])[C@H]1O[C@@](C[C@@H](O)[C@H]1O)(OCC=C)C([O-])=O [Na+].OC[C@H](N=[N+]=[N-])[C@H]1O[C@@](C[C@@H](O)[C@H]1O)(OCC=C)C([O-])=O is the sodium salt of (allyl 7-azido-3,7-dideoxy-beta-L-gulo-oct-2-ulopyranosid)onic acid. It is also related to or classified as organic sodium salt .
The molecule OC[C@H](N=[N+]=[N-])[C@H]1O[C@@](C[C@@H](O)[C@H]1O)(OCC=C)C(O)=O OC[C@H](N=[N+]=[N-])[C@H]1O[C@@](C[C@@H](O)[C@H]1O)(OCC=C)C(O)=O is the carbohydrate acid derivative that is the allyl glycoside of 7-azido-7-deoxy-7-epi-Kdo. Its functional parent is 7-epi-Kdo . It is a conjugate acid of (allyl 7-azido-3,7-dideoxy-beta-L-gulo-oct-2-ulopyranosid)onate . It is also related to or classified as azide  . It is also related to or classified as glycoside  . It is also related to or classified as carbohydrate acid derivative .
The molecule CC[C@@H]1[C@@H](C)O[C@](O)(C[C@H]1O[C@H]1C[C@H](O)[C@H](O)[C@H](C)O1)[C@@H](C)[C@H](O)[C@H](C)[C@H]1OC(=O)\C=C\C=C\[C@H](C)[C@H](OC(=O)\C=C\C=C\[C@@H]1C)[C@@H](C)[C@@H](O)[C@H](C)[C@@]1(O)C[C@@H](O[C@H]2C[C@H](O)[C@H](O)[C@H](C)O2)[C@H](CC)[C@@H](C)O1 CC[C@@H]1[C@@H](C)O[C@](O)(C[C@H]1O[C@H]1C[C@H](O)[C@H](O)[C@H](C)O1)[C@@H](C)[C@H](O)[C@H](C)[C@H]1OC(=O)\C=C\C=C\[C@H](C)[C@H](OC(=O)\C=C\C=C\[C@@H]1C)[C@@H](C)[C@@H](O)[C@H](C)[C@@]1(O)C[C@@H](O[C@H]2C[C@H](O)[C@H](O)[C@H](C)O2)[C@H](CC)[C@@H](C)O1 is A macrodiolide that is isolated from several bacteria including Streptomyces violaceoniger and other soil actinomycetes. It has the role of antifungal agent . It has the role of bacterial metabolite . It has the role of autophagy inhibitor .  It is also related to or classified as lactol  . It is also related to or classified as macrodiolide , monosaccharide derivative .
The molecule OCC\C(=C/C1=[O+][Fe-3]2345[O+]=C(\C=C(\C)CCO)N(CCC[C@H]6C(NCC(N[C@@H](CO)C(N[C@@H](CO)C(N[C@H](C(N[C@H](C(N6)=O)CCCN(C(\C=C(\C)CCO)=[O+]2)O3)=O)CCCN1O4)=O)=O)=O)=O)O5)C OCC\C(=C/C1=[O+][Fe-3]2345[O+]=C(\C=C(\C)CCO)N(CCC[C@H]6C(NCC(N[C@@H](CO)C(N[C@@H](CO)C(N[C@H](C(N[C@H](C(N6)=O)CCCN(C(\C=C(\C)CCO)=[O+]2)O3)=O)CCCN1O4)=O)=O)=O)=O)O5)C is A member of the class of ferrichromes that is an iron(III) chelate of the homodetic cyclic hexapeptide (cyclo{glycyl-L-seryl-L-seryl-N(5)-hydroxy-N(5)-[(2Z)-5-hydroxy-3-methyl-1-pent-2-enoyl]-L-ornithyl-N(5)-hydroxy-N(5)-[(2Z)-5-hydroxy-3-methyl-1-pent-2-enoyl]-L-ornithyl-N(5)-hydroxy-N(5)-[(2Z)-5-hydroxy-3-methyl-1-pent-2-enoyl]-L-ornithine. It has the role of fungal metabolite . It is also related to or classified as homoallylic alcohol  . It is also related to or classified as ferrichromes  .
The molecule CCCCC\C=C/C=C/[C@H](O)CCCCCCCC([O-])=O CCCCC\C=C/C=C/[C@H](O)CCCCCCCC([O-])=O is A hydroxy fatty acid anion obtained by deprotonation of the carboxy group of 9(R)-HODE; major species at pH 7.3. It is also related to or classified as HODE(1-) , polyunsaturated fatty acid anion , octadecanoid anion , hydroxy fatty acid anion .
The molecule [K+].C\C=C\C=C\C([O-])=O [K+].C\C=C\C=C\C([O-])=O is A potassium salt having sorbate as the counterion. It has the role of antimicrobial food preservative . It is also related to or classified as potassium salt .
The molecule CC(=O)CC(C)(C)S CC(=O)CC(C)(C)S is an alkylthiol that is 4-methylpentan-2-one substituted at position 4 by a mercapto group. It has the role of Saccharomyces cerevisiae metabolite . It has the role of plant metabolite . It is also related to or classified as alkanethiol  . It is also related to or classified as methyl ketone .
The molecule OC(=O)CC(O)(CC(O)=O)C(O)=O.CN(C)CCOC(c1ccccc1)c1ccccc1C OC(=O)CC(O)(CC(O)=O)C(O)=O.CN(C)CCOC(c1ccccc1)c1ccccc1C is A citrate salt which comprises equimolar amounts of orphenadrine and citric acid. It has the role of H1-receptor antagonist . It has the role of muscarinic antagonist . It has the role of parasympatholytic . It has the role of muscle relaxant . It has the role of NMDA receptor antagonist . It is also related to or classified as citrate salt .
The molecule OC[C@H](N=[N+]=[N-])[C@H]1O[C@@](C[C@@H](O)[C@H]1O)(OCC=C)C([O-])=O OC[C@H](N=[N+]=[N-])[C@H]1O[C@@](C[C@@H](O)[C@H]1O)(OCC=C)C([O-])=O is the carbohydrate acid derivative anion formed from (allyl 7-azido-3,7-dideoxy-beta-L-gulo-oct-2-ulopyranosid)onic acid by proton loss from the carboxy group. It is also related to or classified as carbohydrate acid derivative anion .