anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC is a phosphatidylcholine 36:0 in which the acyl groups specified at positions 1 and 2 are docosanoyl and tetradecanoyl respectively. It is a phosphatidylcholine 36:0 and a tetradecanoate ester. It derives from a docosanoic acid.
The molecule Oc1ccc2OC(CC(=O)c2c1)c1ccccc1 Oc1ccc2OC(CC(=O)c2c1)c1ccccc1 is A monohydroxyflavanone that is flavanone substituted by a hydroxy group at position 6. It has the role of fungal xenobiotic metabolite . It is also related to or classified as monohydroxyflavanone .
The molecule O1C2=C3C(CCC3=C(C1=O)C)(C4=C(C2=O)C(O)=C(C(O)=C4O)C(COC(=O)C)C)C O1C2=C3C(CCC3=C(C1=O)C)(C4=C(C2=O)C(O)=C(C(O)=C4O)C(COC(=O)C)C)C is Edulone A. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule O=C(CCC/C=C\C/C=C\C/C=C\C=C\C(CCCCC)OO)O[C@@H](COP(OCC[NH3+])(=O)[O-])COC(=O)CCCCCCCCCCCCCCCCC O=C(CCC/C=C\C/C=C\C/C=C\C=C\C(CCCCC)OO)O[C@@H](COP(OCC[NH3+])(=O)[O-])COC(=O)CCCCCCCCCCCCCCCCC is 1-stearoyl-2-(15-hydroperoxyarachidonoyl)-sn-glycero-3-phosphoethanolamine zwitterion. Its functional parent is 1-stearoyl-2-arachidonoyl-sn-glycero-3-phosphoethanolamine zwitterion . It is also related to or classified as 1,2-diacyl-sn-glycero-3-phosphoethanolamine zwitterion  .
The molecule C=1C(=C(C(=C(C1)C(=O)C=2C=NN(C2O)CC)C)OCCOC)S(C)(=O)=O C=1C(=C(C(=C(C1)C(=O)C=2C=NN(C2O)CC)C)OCCOC)S(C)(=O)=O is A benzoylpyrazole that is 1H-pyrazole substituted by an ethyl, 3-(2-methoxyethoxy)-2-methyl-4-(methylsulfonyl)benzoyl, and a hydroxy group at positions 1, 4 and 5, respectively. It is the active metabolite of the proherbicide, tolpyralate. It has the role of herbicide . It has the role of metabolite .  It is also related to or classified as aromatic alcohol  .  It is also related to or classified as sulfone  . It is also related to or classified as benzoylpyrazole  . It is also related to or classified as toluenes , aromatic ether , pyrazole pesticide , aromatic ketone .
The molecule [C@H]1([C@H](O[C@@H](O[C@@H]2[C@H](OC(=O)[C@@H]([C@H]2O)O)CO)[C@@H]([C@H]1O)O)CO)O[C@@H]3O[C@@H]([C@@H](O[C@@H]4O[C@@H]([C@@H](O[C@@H]5O[C@@H]([C@@H](O)[C@@H]([C@H]5O)O)CO)[C@@H]([C@H]4O)O)CO)[C@@H]([C@H]3O)O)CO [C@H]1([C@H](O[C@@H](O[C@@H]2[C@H](OC(=O)[C@@H]([C@H]2O)O)CO)[C@@H]([C@H]1O)O)CO)O[C@@H]3O[C@@H]([C@@H](O[C@@H]4O[C@@H]([C@@H](O[C@@H]5O[C@@H]([C@@H](O)[C@@H]([C@H]5O)O)CO)[C@@H]([C@H]4O)O)CO)[C@@H]([C@H]3O)O)CO is D-cellopentaono-1,5-lactone. Its functional parent is D-glucono-1,5-lactone . It is also related to or classified as pentasaccharide .
The molecule C(CCCCCCC[C@H]([C@H](CCCCCCCC)O)O)(=O)O C(CCCCCCC[C@H]([C@H](CCCCCCCC)O)O)(=O)O is A dihydroxy monocarboxylic acid that is octadecanoic acid in which the two hydroxy groups are located at positions 9R and 10S. It has the role of Brassica napus metabolite . Its functional parent is octadecanoic acid . It is also related to or classified as hydroxyoctadecanoic acid , dihydroxy monocarboxylic acid .
The molecule C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@@H](C)CO)C)CN(C)C(=O)C4CCCCC4 C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@@H](C)CO)C)CN(C)C(=O)C4CCCCC4 is N-[(3S,9R,10R)-9-[[[cyclohexyl(oxo)methyl]-methylamino]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]-4-pyridinecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCCCCCCCCCCCC/C=C/C=O is a hexadecenal containing a double bond at position 2 (the trans-stereoisomer). It is a trans-2,3-unsaturated fatty aldehyde, a n-alk-2-enal and a hexadecenal.
The molecule O=C1C2=C3OC(=CC(C3=C(COC4OC(C(O)C(C4)(N)C)C)C=C2C(=O)C=5C1=C(O)C(=CC5)[C@@H]6O[C@H]([C@@H](O[C@@H]7O[C@H]([C@@H](O)[C@H](C7)O)C)[C@H](C6)N(C)C)C)=O)C8(OC8C)C O=C1C2=C3OC(=CC(C3=C(COC4OC(C(O)C(C4)(N)C)C)C=C2C(=O)C=5C1=C(O)C(=CC5)[C@@H]6O[C@H]([C@@H](O[C@@H]7O[C@H]([C@@H](O)[C@H](C7)O)C)[C@H](C6)N(C)C)C)=O)C8(OC8C)C is Pluraflavin A. It is also related to or classified as glycoside  . It is also related to or classified as benzochromenone .
The molecule CC(C(O)=O)C1=CC=C[C@H](O)[C@@H]1O CC(C(O)=O)C1=CC=C[C@H](O)[C@@H]1O is cis-3-(1-Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-diol. It is also related to or classified as cyclohexadienediol  . It is also related to or classified as organic hydroxy compound .
The molecule [C@@H]1([C@@H](C[C@H]([C@@H](O1)C)O)O)OCCCCCC\C=C\C(SCCNC(CCNC(=O)[C@@H](C(COP(OP(OC[C@H]2O[C@@H](N3C4=C(C(=NC=N4)N)N=C3)[C@@H]([C@@H]2OP(O)(O)=O)O)(=O)O)(=O)O)(C)C)O)=O)=O [C@@H]1([C@@H](C[C@H]([C@@H](O1)C)O)O)OCCCCCC\C=C\C(SCCNC(CCNC(=O)[C@@H](C(COP(OP(OC[C@H]2O[C@@H](N3C4=C(C(=NC=N4)N)N=C3)[C@@H]([C@@H]2OP(O)(O)=O)O)(=O)O)(=O)O)(C)C)O)=O)=O is an acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of oscr#3. Its functional parent is oscr#3 . It is a conjugate acid of oscr#3-CoA(4-) . It is also related to or classified as acyl-CoA  .
The molecule C[C@H]1CC2=C(C(=CC(=C2[C@@H](N1)C)O)O)C3=CC(=C(C4=C3C=C(C=C4OC)C)O)C5=C(C6=C(C=C(C=C6OC)C)C(=C5)C7=C8C[C@@H](N[C@H](C8=C(C=C7O)O)C)C)O is a dimeric isoquinoline alkaloid isolated from Ancistrocladus abbreviatus and has been shown to exhibit anti-HIV activity. It has a role as a metabolite, an anti-HIV-1 agent and an anti-HIV-2 agent. It is an isoquinoline alkaloid, a polyphenol, a ring assembly, a member of isoquinolines, an aromatic ether, a methoxynaphthalene and a member of naphthols.
The molecule OCN[N+]([O-])=O OCN[N+]([O-])=O is hydroxymethylnitramine. It is also related to or classified as nitramine  . It is also related to or classified as one-carbon compound .
The molecule [H][C@]12CNc3nc(N)[nH]c(=O)c3N1CN(C2)c1ccc(cc1)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O [H][C@]12CNc3nc(N)[nH]c(=O)c3N1CN(C2)c1ccc(cc1)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O is (6R)-5,10-methylenetetrahydrofolate(2-). It has the role of cofactor . It has the role of human metabolite . It is also related to or classified as 5,10-methylenetetrahydrofolate(2-)  .
The molecule CC1(C(C(C2=C(O1)C(=CC(=C2)/C=C/C(=O)C3=C(C=C(C=C3)O)O)O)O)O)C is a chromenol that is 2,2-dimethyl-3,4-dihydro-2H-chromene-3,4,8-triol substituted by a 3-(2,4-dihydroxyphenyl)-3-oxoprop-1-en-1-yl moiety at position 6 (the E-isomer). It is isolated from the stems of Erythrina abyssinica and displays moderate cytotoxic effect against human colorectal cancer cell line. It has a role as a metabolite and an antineoplastic agent. It is a member of chalcones, a member of resorcinols and a chromenol.
The molecule CCCCC\C=C/C=C/[C@H](CCCCCCCC(O)=O)OO CCCCC\C=C/C=C/[C@H](CCCCCCCC(O)=O)OO is an HPODE (hydroperoxy-octadecadienoic acid) in which the double bonds are at positions 10 and 12 (E and Z geometry, respectively) and the hydroperoxy group is at position 9 (S configuration). It is an intermediate in the metabolic pathway for linoleic acid. It has the role of mouse metabolite . It has the role of plant metabolite . It has the role of human metabolite . Its functional parent is (10E,12Z)-octadecadienoic acid . It is a conjugate acid of 9(S)-HPODE(1-) . It is also related to or classified as HPODE .
The molecule Oc1ccc(\C=C\C(=O)c2ccc(O)cc2[O-])cc1 Oc1ccc(\C=C\C(=O)c2ccc(O)cc2[O-])cc1 is A phenolate anion obtained by deprotonation of the hydroxy group located at the position ortho to the carbonyl group of isoliquiritigenin. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is also related to or classified as phenolate anion .
The molecule [Na+].[H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCC([O-])=O [Na+].[H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCC([O-])=O is sodium cholate. It is also related to or classified as cholate salt , organic sodium salt .
The molecule O1C(N2C3=C(C(=C2)CCNC(=O)C)C=C(OC)C=C3)C(O)C(O)C(O)C1C(O)=O O1C(N2C3=C(C(=C2)CCNC(=O)C)C=C(OC)C=C3)C(O)C(O)C(O)C1C(O)=O is Melatonin glucuronide. It is also related to or classified as N-glycosyl compound  . It is also related to or classified as indoles .
The molecule [C@H]1([C@H](O[C@@H](O[C@@H]2[C@H](OC(=O)[C@@H]([C@H]2O)O)CO)[C@@H]([C@H]1O)O)CO)O[C@@H]3O[C@@H]([C@@H](O[C@@H]4O[C@@H]([C@@H](O)[C@@H]([C@H]4O)O)CO)[C@@H]([C@H]3O)O)CO [C@H]1([C@H](O[C@@H](O[C@@H]2[C@H](OC(=O)[C@@H]([C@H]2O)O)CO)[C@@H]([C@H]1O)O)CO)O[C@@H]3O[C@@H]([C@@H](O[C@@H]4O[C@@H]([C@@H](O)[C@@H]([C@H]4O)O)CO)[C@@H]([C@H]3O)O)CO is D-cellotetraono-1,5-lactone. It is also related to or classified as D-glucono-1,5-lactone  . It is also related to or classified as tetrasaccharide  .
The molecule C(=O)([C@@H](NC(=O)C)C=1C=CC=CC1)[O-] C(=O)([C@@H](NC(=O)C)C=1C=CC=CC1)[O-] is A monocarboxylic acid anion that is the conjugate base of N-acetyl-L-alpha-phenylglycine, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as N-acetyl-L-alpha-amino acid anion  . It is also related to or classified as monocarboxylic acid anion  . It is also related to or classified as N-acyl-L-alpha-amino acid anion  .
The molecule C1CC1C(=O)N2CC3(C2)[C@H]([C@H](N3CC4=NC=CS4)CO)C5=CC=CC=C5 C1CC1C(=O)N2CC3(C2)[C@H]([C@H](N3CC4=NC=CS4)CO)C5=CC=CC=C5 is cyclopropyl-[(2S,3S)-2-(hydroxymethyl)-3-phenyl-1-(2-thiazolylmethyl)-1,6-diazaspiro[3.3]heptan-6-yl]methanone. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule O=C1C2=C(O)C3=C(O)C=C2C(=O)[C@]4(C1=C[C@H](O)C(C)(C)O4)CC=C(CCC=C(C3)CO)C O=C1C2=C(O)C3=C(O)C=C2C(=O)[C@]4(C1=C[C@H](O)C(C)(C)O4)CC=C(CCC=C(C3)CO)C is Napyradiomycin 2. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule CCCN1C[C@H]([C@H](CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)CC)OC[C@H]1C)C)OC)C CCCN1C[C@H]([C@H](CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)CC)OC[C@H]1C)C)OC)C is N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C1C=C[C@@H]([C@H](C1=O)[NH3+])C(=O)[O-] is an amino acid zwitterion, obtained by transfer of a proton from the carboxylic acid group to the amino group of (1S,6R)-6-amino-5-oxocyclohex-2-ene-1-carboxylic acid. It is an enantiomer of a (1R,6S)-6-ammonio-5-oxocyclohex-2-ene-1-carboxylate. It is a tautomer of a (1S,6R)-6-amino-5-oxocyclohex-2-ene-1-carboxylic acid.
The molecule [C@@H]1([C@@H](C[C@H]([C@@H](O1)C)O)O)OCCCCCCCCCCCCCCCCCCCCC(SCCNC(CCNC(=O)[C@@H](C(COP(OP(OC[C@H]2O[C@@H](N3C4=C(C(=NC=N4)N)N=C3)[C@@H]([C@@H]2OP([O-])([O-])=O)O)(=O)[O-])(=O)[O-])(C)C)O)=O)=O [C@@H]1([C@@H](C[C@H]([C@@H](O1)C)O)O)OCCCCCCCCCCCCCCCCCCCCC(SCCNC(CCNC(=O)[C@@H](C(COP(OP(OC[C@H]2O[C@@H](N3C4=C(C(=NC=N4)N)N=C3)[C@@H]([C@@H]2OP([O-])([O-])=O)O)(=O)[O-])(=O)[O-])(C)C)O)=O)=O is an acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate groups of oscr#38-CoA; major species at pH 7.3. It is also related to or classified as acyl-CoA(4-)  .
The molecule CN(C)C1=CC2=C(C=C1)C=C3C=CC(=[N+](C)C)C=C3O2.[Cl-] is an organic chloride salt having 6-(dimethylamino)-N,N-dimethyl-3H-xanthen-3-iminium as the cation. Used with methyl green to selectively demonstrate RNA (red) in contrast to DNA (green) with the Unna-Pappenheim method. It has a role as a histological dye. It is an iminium salt and an organic chloride salt. It contains a pyronin Y cation.
The molecule CCCCC\C=C/C\C=C/C\C=C/CC(O)C(O)CCCC(O)=O CCCCC\C=C/C\C=C/C\C=C/CC(O)C(O)CCCC(O)=O is A DHET obtained by formal dihydroxylation across the 5,6-double bond of arachidonic acid. It has the role of mouse metabolite . It is also related to or classified as DHET .
The molecule CO[C@H]1[C@@H]2Cc3cc4cc(O)cc(O)c4c(O)c3C(=O)[C@]2(O[C@H]2C[C@@H](O[C@H]3C[C@@H](O)[C@@H](O)[C@@H](C)O3)[C@H](O)[C@@H](C)O2)C(=O)C(C(C)=O)=C1O CO[C@H]1[C@@H]2Cc3cc4cc(O)cc(O)c4c(O)c3C(=O)[C@]2(O[C@H]2C[C@@H](O[C@H]3C[C@@H](O)[C@@H](O)[C@@H](C)O3)[C@H](O)[C@@H](C)O2)C(=O)C(C(C)=O)=C1O is A tetracenomycin that is an intermediate in the biosynthesis of the antitumour drug mithramycin by Streptomyces argillaceus. It has the role of bacterial metabolite . It is also related to or classified as ether  .  It is also related to or classified as enol  .   It is also related to or classified as enone  . It is also related to or classified as polyphenol , cyclic ketone , tetracenomycin , disaccharide derivative , aromatic ketone .
The molecule [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(CCCCCCCCC/C=C\CCCCCCCCCC)=O)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(CCCCCCCCC/C=C\CCCCCCCCCC)=O)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O is A docosenoyl-CoA obtained by deprotonation of the phosphate and diphosphate OH groups of a docosenoyl-CoA resulting from the formal condensation of the thiol group of coenzyme A with the carboxy group of the cetoleic acid. It is also related to or classified as long-chain fatty acyl-CoA(4-)  .
The molecule CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCCN is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which the 1- and 2-acyl groups are specified as hexadecanoyl and icosanoyl respectively. It has a role as a mouse metabolite and a rat metabolite. It is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine and a phosphatidylethanolamine 36:0. It derives from a hexadecanoic acid and an icosanoic acid.
The molecule O1[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@H](OC2O)CO)[C@H](NC(=O)C)[C@@H](O[C@@H]3O[C@H]([C@@H](O)[C@@H](O)[C@@H]3O)C)[C@H](O)[C@H]1CO O1[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@H](OC2O)CO)[C@H](NC(=O)C)[C@@H](O[C@@H]3O[C@H]([C@@H](O)[C@@H](O)[C@@H]3O)C)[C@H](O)[C@H]1CO is an amino trisaccharide consisting of alpha-L-fucopyranosyl, 2-acetamido-2-deoxy-beta-D-glucopyranosyl and D-galactopyanosyl residues joined together in sequence by (1->3) and (1->2) glycosidic linkages. Its functional parent is alpha-L-Fucp-(1->3)-beta-D-GlcpNAc . It is also related to or classified as acetamides , amino trisaccharide .
The molecule O=C1O[C@@H](CC[C@@H](CCCCC(N([C@H]1CC2=CC=C(OCC(O)C(O)(C)C)C=C2)C)=O)C)C[C@@H](O)CCC O=C1O[C@@H](CC[C@@H](CCCCC(N([C@H]1CC2=CC=C(OCC(O)C(O)(C)C)C=C2)C)=O)C)C[C@@H](O)CCC is Melearoride B. It is also related to or classified as lactam  . It is also related to or classified as macrolide  .
The molecule [C@H]1([C@H](O[C@@H](O[C@@H]2[C@H](OC(=O)[C@@H]([C@H]2O)O)CO)[C@@H]([C@H]1O)O)CO)O[C@@H]3O[C@@H]([C@@H](O)[C@@H]([C@H]3O)O)CO [C@H]1([C@H](O[C@@H](O[C@@H]2[C@H](OC(=O)[C@@H]([C@H]2O)O)CO)[C@@H]([C@H]1O)O)CO)O[C@@H]3O[C@@H]([C@@H](O)[C@@H]([C@H]3O)O)CO is D-cellotriono-1,5-lactone. Its functional parent is D-glucono-1,5-lactone . It is also related to or classified as trisaccharide .
The molecule C(=O)([C@@H]([NH3+])C=1C=CC=CC1)[O-] C(=O)([C@@H]([NH3+])C=1C=CC=CC1)[O-] is an L-alpha-amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of L-alpha-phenylglycine; major species at pH 7.3. It is also related to or classified as L-alpha-amino acid zwitterion  .
The molecule C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3)C(=O)N(C[C@@H]1OC)C)C)C(=O)C4CC4 C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3)C(=O)N(C[C@@H]1OC)C)C)C(=O)C4CC4 is N-[(5R,6R,9R)-8-[cyclopropyl(oxo)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-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(CC/C=C\\CC(=O)/C=C/C=C/C=C\\[C@H](CCCC(=O)[O-])O)CCO is a leukotriene anion that is the conjugate base of 12-oxo-20-hydroxyleukotriene B4, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of a 12-oxo-20-hydroxyleukotriene B4.
The molecule CCCC\C=C/CCCCCCCCCCCc1cc(O)cc(O)c1 CCCC\C=C/CCCCCCCCCCCc1cc(O)cc(O)c1 is A resorcinol compound having a cis-heptadec-12-enyl substituent at the 5-position. Its functional parent is resorcinol . It is also related to or classified as 5-alkenylresorcinol  .
The molecule OC1C[C@H](Oc2cc(O)cc(O)c12)c1ccc(O)cc1 OC1C[C@H](Oc2cc(O)cc(O)c12)c1ccc(O)cc1 is A tetrahydroxyflavan in which the four hydroxy substituents are located at positions 4, 4', 5 and 7. It has the role of metabolite . It is also related to or classified as tetrahydroxyflavan .
The molecule [C@@H]1([C@@H](C[C@H]([C@@H](O1)C)O)O)OCCCCCCCCCCCCCCCCCCCCC(SCCNC(CCNC(=O)[C@@H](C(COP(OP(OC[C@H]2O[C@@H](N3C4=C(C(=NC=N4)N)N=C3)[C@@H]([C@@H]2OP(O)(O)=O)O)(=O)O)(=O)O)(C)C)O)=O)=O [C@@H]1([C@@H](C[C@H]([C@@H](O1)C)O)O)OCCCCCCCCCCCCCCCCCCCCC(SCCNC(CCNC(=O)[C@@H](C(COP(OP(OC[C@H]2O[C@@H](N3C4=C(C(=NC=N4)N)N=C3)[C@@H]([C@@H]2OP(O)(O)=O)O)(=O)O)(=O)O)(C)C)O)=O)=O is an acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of oscr#38. Its functional parent is oscr#38 . It is a conjugate acid of oscr#38-CoA(4-) . It is also related to or classified as acyl-CoA  .
The molecule C[C@@H]([C@@H]([C@H](C(=O)COP(=O)(O)O)O)O)O is a deoxyketohexose phosphate consisting of L-rhamnulose having a monophosphate group at the 1-position. It has a role as an Escherichia coli metabolite. It derives from a L-rhamnulose. It is a conjugate acid of a L-rhamnulose 1-phosphate(2-).
The molecule O=C1C(C(=O)N)=CNC(=C1)/C=C/CCCCCCCCC(=O)OC O=C1C(C(=O)N)=CNC(=C1)/C=C/CCCCCCCCC(=O)OC is Himeic acid G. Its functional parent is nicotinamide . It is also related to or classified as pyridinecarboxamide .
The molecule O1C(C(O)C(O)C(O)C1OC2=CC(=CC(O)=C2)/C=C\C3=C(O)C=C(O)C=C3)CO O1C(C(O)C(O)C(O)C1OC2=CC(=CC(O)=C2)/C=C\C3=C(O)C=C(O)C=C3)CO is (E)-Oxyresveratrol 3'-O-b-D-glucoside. It is also related to or classified as glycoside  . It is also related to or classified as stilbenoid .
The molecule CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CC is a 1,2-diacyl-sn-glycerol 3-phosphate in which both phosphatidyl acyl groups are specified as (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl. It derives from an all-cis-docosa-4,7,10,13,16,19-hexaenoic acid. It is a conjugate acid of a 1,2-di[(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl]-sn-glycero-3-phosphate(2-).
The molecule S1C2=C(N(CC(C)N(C)C)C3=C1C=CC=C3)C=C(C=C2)S(N(C)C)(=O)=O.S(=O)(=O)(C)O S1C2=C(N(CC(C)N(C)C)C3=C1C=CC=C3)C=C(C=C2)S(N(C)C)(=O)=O.S(=O)(=O)(C)O is dimethothiazine mesylate. It is also related to or classified as sulfonamide  . It is also related to or classified as methanesulfonate salt , phenothiazines .
The molecule C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@H](C)CO)C)CN(C)C(=O)C4=CC=CC=C4 C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@H](C)CO)C)CN(C)C(=O)C4=CC=CC=C4 is N-[(3R,9S,10R)-9-[[benzoyl(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]benzamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule [O-][N+](=O)N1CN(CN(C1)N=O)N=O [O-][N+](=O)N1CN(CN(C1)N=O)N=O is 1-nitro-3,5-dinitroso-1,3,5-triazinane. It is also related to or classified as nitrosamine  . It is also related to or classified as 1,3,5-triazinanes , N-nitro compound .
The molecule S(SC=1N=CC=CC1)C=2N=CC=CC2 S(SC=1N=CC=CC1)C=2N=CC=CC2 is A member of the class of pyridines that is pyridine which is substituted by a pyridin-2-yldisulfanediyl group at position 2. It is a reagent used in molecular biology as an oxidizing agent. Also used in peptide synthesis and for detecting thiols. It has the role of oxidising agent .  It is also related to or classified as organic disulfide  . It is also related to or classified as pyridines .
The molecule [C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O[C@H]2[C@@H]([C@H]([C@H](O[C@@H]2CO)O[C@@H]3[C@@H]([C@H]([C@H](O[C@@H]3CO)OCCN)O)O)O)O [C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O[C@H]2[C@@H]([C@H]([C@H](O[C@@H]2CO)O[C@@H]3[C@@H]([C@H]([C@H](O[C@@H]3CO)OCCN)O)O)O)O is an alpha-D-glucoside that is the 2-aminoethyl glycoside of a trisaccharide consisting of  beta-D-glucosyl, alpha-D-glucosyl and alpha-D-galactosyl residues linked sequentially (1->4). It is also related to or classified as alpha-D-galactoside  . It is also related to or classified as trisaccharide derivative .
The molecule C1CCN(CC1)C2(CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)C(=O)N.Cl.Cl is a hydrochloride resulting from the reaction of pipamperone with 2 mol eq. of hydrogen chloride. It is used as an antipsychotic. It has a role as a dopaminergic antagonist, a first generation antipsychotic and a serotonergic antagonist. It contains a pipamperone(2+).
The molecule ClC1=C2C(=C3C=4C=C5CC[C@@]6([C@@]([C@]5(C4NC3=C1)C)(CC[C@H]7[C@@]68O[C@@H]8[C@@H](O)[C@H](O7)C(=C)C)C)O)[C@@]9(O)[C@H](C[C@@H]9C(O)(C)C)C(C2)=C ClC1=C2C(=C3C=4C=C5CC[C@@]6([C@@]([C@]5(C4NC3=C1)C)(CC[C@H]7[C@@]68O[C@@H]8[C@@H](O)[C@H](O7)C(=C)C)C)O)[C@@]9(O)[C@H](C[C@@H]9C(O)(C)C)C(C2)=C is Thomitrem A. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule O([C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)OCCCC=2C=CC(=CC2)Cl)O)O)C[C@@H]([C@@H]([C@@H](CCCCCCCCCCCCCC)O)O)NC(CCCCCCCCCCCCCCCCCCCCCCCCC)=O O([C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)OCCCC=2C=CC(=CC2)Cl)O)O)C[C@@H]([C@@H]([C@@H](CCCCCCCCCCCCCC)O)O)NC(CCCCCCCCCCCCCCCCCCCCCCCCC)=O is A glycophytoceramide having a 4-O-[3-(4-chlorophenyl)propyl]-alpha-D-galactosyl residue at the O-1 position and a hexacosanoyl group attached to the nitrogen. One of a series of an extensive set of 4"-O-alkylated alpha-GalCer analogues evaluated (PMID:30556652) as invariant natural killer T-cell (iNKT) antigens. Its functional parent is alpha-D-galactose . It is also related to or classified as glycophytoceramide .
The molecule CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O is an unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (2E,6Z,9Z,12Z,15Z,18Z)-tetracosahexaenoic acid. It is an unsaturated fatty acyl-CoA and a very long-chain fatty acyl-CoA. It is a conjugate acid of a (2E,6Z,9Z,12Z,15Z,18Z)-tetracosahexaenoyl-CoA(4-).
The molecule OC1=C(NC(=O)\C=C\C=C\C=C\[C@]2(O)C=C(NC(=O)\C=C\C=C\C=C\C3CCCCC3)C(=O)[C@H]3O[C@@H]23)C(=O)CC1 OC1=C(NC(=O)\C=C\C=C\C=C\[C@]2(O)C=C(NC(=O)\C=C\C=C\C=C\C3CCCCC3)C(=O)[C@H]3O[C@@H]23)C(=O)CC1 is A polyketide that is a member of the manumycin family of antibiotics and exhibits strong antibacterial, antifungal, and antineoplastic activities. Isolated from from the actinomycete bacterium Streptomyces nodosus subsp. asukaensis. It has the role of antimicrobial agent . It has the role of antibacterial agent . It has the role of antineoplastic agent . It has the role of antifungal agent . It has the role of bacterial metabolite . Its functional parent is 4-hydroxyprotoasukamycin . It is also related to or classified as secondary carboxamide  . It is also related to or classified as polyketide  . It is also related to or classified as tertiary alcohol  .  It is also related to or classified as epoxide  . It is also related to or classified as enamide  . It is also related to or classified as organic heterobicyclic compound .
The molecule [C@@H]1([C@@H](C[C@H]([C@@H](O1)C)O)O)OCCCCCCCCCCCCCCCCCCCCC([O-])=O [C@@H]1([C@@H](C[C@H]([C@@H](O1)C)O)O)OCCCCCCCCCCCCCCCCCCCCC([O-])=O is A hydroxy fatty acid ascaroside anion resulting from the deprotonation of the carboxy group of oscr#38. The conjugate base of oscr#38 and the major species at pH 7.3. It is also related to or classified as hydroxy fatty acid ascaroside anion .
The molecule CCCCC/C=C\\C/C=C\\C/C=C\\CCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C is a cholesteryl octadecatrienoate obtained by formal condensation of the carboxy group of gamma-linolenic acid with the hydroxy group of cholesterol. It has a role as a human blood serum metabolite. It derives from a gamma-linolenic acid.