anonymous041/ChEBI-Augmented huggingface dataset:
The molecule COC(=O)Nc1nc2ccccc2[nH]1 COC(=O)Nc1nc2ccccc2[nH]1 is A member of the class of benzimidazoles that is 2-aminobenzimidazole in which the primary amino group is substituted by a methoxycarbonyl group. A fungicide, carbendazim controls  Ascomycetes, Fungi Imperfecti, and Basidiomycetes on a wide variety of crops, including bananas, cereals, cotton, fruits, grapes, mushrooms, ornamentals, peanuts, sugarbeet, soybeans, tobacco, and vegetables. It has the role of metabolite . It has the role of antinematodal drug . It has the role of microtubule-destabilising agent . It has the role of antifungal agrochemical . Its functional parent is 2-aminobenzimidazole . It is also related to or classified as benzimidazole fungicide , benzimidazolylcarbamate fungicide , carbamate ester , benzimidazoles .
The molecule O=C1C=C(OC)[C@@H]2O[C@]2(C)C[C@@H]3[C@@H]1CC(C)(C)C3=O O=C1C=C(OC)[C@@H]2O[C@]2(C)C[C@@H]3[C@@H]1CC(C)(C)C3=O is Seiridiasteriscane A. It is also related to or classified as enol ether  . It is also related to or classified as enone  .
The molecule C1=CC(=CC=C1CN=C(N)SCCCC2=CN=CN2)Cl.Br.Br is a hydrobromide salt obtained by reaction of clobenpropit with two equivalents of hydrobromic acid. An extremely potent histamine H3 antagonist/inverse agonist (pA2 = 9.93). Also displays partial agonist activity at H4 receptors; induces eosinophil shape change with an EC50 of 3 nM. It has a role as a H4-receptor agonist and a H3-receptor antagonist. It contains a clobenpropit(2+).
The molecule [H][C@]1(CC(=O)C2=C(C1)NC(C)=C(C(=O)OCCOC)[C@@]2([H])C1=C(F)C=CC=C1)C1=CC=C(Cl)C=C1 [H][C@]1(CC(=O)C2=C(C1)NC(C)=C(C(=O)OCCOC)[C@@]2([H])C1=C(F)C=CC=C1)C1=CC=C(Cl)C=C1 is A quinolone that is 4,6,7,8-tetrahydroquinolin-5(1H)-one substituted by methyl, (2-methoxyethoxy)carbonyl, 2-fluorophenyl and 4-chlorophenyl groups at positions 2, 3, 4 and 7, respectively (the 4S,7S-stereoisomer). It is an inhibitor of voltage-dependent anion channel 3 (VDAC3) and a ferroptosis inducer. It has the role of ferroptosis inducer . It has the role of voltage-dependent anion channel inhibitor . It has the role of antineoplastic agent . It is also related to or classified as 2-methoxyethyl ester  .   It is also related to or classified as monofluorobenzenes  . It is also related to or classified as quinolone , monochlorobenzenes .
The molecule O=C([O-])[C@H](NC(=O)C)CC([O-])=O O=C([O-])[C@H](NC(=O)C)CC([O-])=O is an N-acyl-D-alpha-amino acid anion resulting from deprotonation of both carboxy groups of N-acetyl-D-aspartic acid. Major microspecies at pH 7.3. Its functional parent is D-aspartate(1-) . It is also related to or classified as dicarboxylic acid dianion  . It is also related to or classified as N-acetyl-D-amino acid anion  .
The molecule C=CC#CC1=CC=C(S1)C2=CC=CS2 is a member of the class of 2,2'-bithiophenes that is 2,2'-bithiophene substituted by a 3-buten-1-ynyl group at position 5. It has a role as a plant metabolite. It is a member of 2,2'-bithiophenes and an enyne.
The molecule [H][C@]12C[C@H](O)[C@H](C)[C@@]1([H])[C@H](O)OC=C2C(=O)OC [H][C@]12C[C@H](O)[C@H](C)[C@@]1([H])[C@H](O)OC=C2C(=O)OC is an iridoid monoterpenoid that is methyl (4aS,7aR)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate substituted at positions 1 and 6 by hydroxy groups and at postion 7 by a methyl group; the aglycone of loganin. It has the role of antibacterial agent . It has the role of plant metabolite . It is also related to or classified as methyl ester  . It is also related to or classified as secondary alcohol  . It is also related to or classified as lactol  .   It is also related to or classified as enoate ester  . It is also related to or classified as cyclopentapyran , iridoid monoterpenoid .
The molecule [C@@]12([C@]3([C@](CC[C@@]1([C@@]4(C(C[C@H](CC4)O)=CC2)C)[H])([C@](CC3)([C@H](C)CC[C@@H](C(C)C)OS(O)(=O)=O)[H])C)[H])[H] [C@@]12([C@]3([C@](CC[C@@]1([C@@]4(C(C[C@H](CC4)O)=CC2)C)[H])([C@](CC3)([C@H](C)CC[C@@H](C(C)C)OS(O)(=O)=O)[H])C)[H])[H] is A steroid sulfate that is (24S)-24-hydroxycholesterol carrying a single sulfo substituent at the O-24 position. Its functional parent is (24S)-24-hydroxycholesterol . It is a conjugate acid of (24S)-hydroxycholesterol 24-sulfate(1-) .  It is also related to or classified as 3beta-hydroxy-Delta(5)-steroid  . It is also related to or classified as steroid sulfate .
The molecule NCCCCC(N)=O NCCCCC(N)=O is A fatty amide consisting of pentanamide having an amino substituent at the 5-position. It is also related to or classified as fatty amide .
The molecule [O-][N+](CCC(C1=CC=CC=C1)C=2N=CC=CC2)(C)C [O-][N+](CCC(C1=CC=CC=C1)C=2N=CC=CC2)(C)C is N,N-Dimethyl-3-phenyl-3-pyridin-2-ylpropan-1-amine oxide. It is also related to or classified as pyridines , tertiary amino compound .
The molecule C[C@H](CC(=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)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O C[C@H](CC(=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)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O is conjugate base of bkas#12-CoA. It is also related to or classified as organic molecular entity .
The molecule C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4=C(C=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)O)O is a biflavonoid that is obtained by oxidative coupling of two molecules of apigenin resulting in a bond between positions C-3 of the hydroxyphenyl ring and C-8 of the chromene ring. A natural product found particularly in Ginkgo biloba and Hypericum perforatum. It has a role as a cathepsin B inhibitor, an antiviral agent, an angiogenesis inhibitor, a P450 inhibitor and a plant metabolite. It is a biflavonoid, a hydroxyflavone and a ring assembly.
The molecule C[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O)O is a 3alpha-hydroxy steroid, an 11beta-hydroxy steroid, a 17alpha-hydroxy steroid, a 21-hydroxy steroid, a 20-oxo steroid, a glucocorticoid, a primary alpha-hydroxy ketone and a tertiary alpha-hydroxy ketone. It derives from a hydride of a 5beta-pregnane.
The molecule CN1COCN(C1=N[N+](=O)[O-])CC2=CN=C(S2)Cl is an oxadiazane that is tetrahydro-N-nitro-4H-1,3,5-oxadiazin-4-imine bearing (2-chloro-1,3-thiazol-5-yl)methyl and methyl substituents at positions 3 and 5 respectively. It has a role as an antifeedant, a carcinogenic agent, an environmental contaminant, a xenobiotic and a neonicotinoid insectide. It is an oxadiazane, a member of 1,3-thiazoles, an organochlorine compound and a 2-nitroguanidine derivative. It derives from a 2-chlorothiazole.
The molecule CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\COP([O-])(=O)OP([O-])([O-])=O CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\COP([O-])(=O)OP([O-])([O-])=O is A triply-charged organophosphate oxoanion arising from deprotonation of the diphosphate OH groups of all-trans-nonaprenyl diphosphate; major species at pH 7.3. It is also related to or classified as all-trans-polyprenyl diphosphate(3-) .
The molecule CC(=O)CCC([O-])=O CC(=O)CCC([O-])=O is A member of the class of oxopentanoates that is the conjugate base of 4-oxopentanoic acid. It has the role of plant metabolite . It is also related to or classified as oxopentanoates  .
The molecule C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3)C(=O)N(C[C@@H]1OC)C)C)C C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3)C(=O)N(C[C@@H]1OC)C)C)C is N-[(4S,7R,8R)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule [C@@]12([C@]3([C@](CC[C@@]1([C@@]4(C(C[C@H](CC4)O)=CC2)C)[H])([C@](CC3)([C@H](C)CC[C@@H](C(C)C)OS([O-])(=O)=O)[H])C)[H])[H] [C@@]12([C@]3([C@](CC[C@@]1([C@@]4(C(C[C@H](CC4)O)=CC2)C)[H])([C@](CC3)([C@H](C)CC[C@@H](C(C)C)OS([O-])(=O)=O)[H])C)[H])[H] is A steroid sulfate oxoanion obtained by deprotonation of the sulfo group of (24S)-hydroxycholesterol 24-sulfate. It is also related to or classified as cholestane conjugate , steroid sulfate oxoanion .
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(C[C@H](CCCCCCC/C=C\CCCCCCCCCC)O)=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(C[C@H](CCCCCCC/C=C\CCCCCCCCCC)O)=O)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O is (3S)-hydroxy-(11Z)-docos-11-enoyl-CoA(4-). Its functional parent is cetoleate . It is also related to or classified as long-chain (3S)-hydroxy fatty acyl-CoA(4-)  . It is also related to or classified as monounsaturated fatty acyl-CoA(4-)  .
The molecule C[C@H](CC(=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)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O C[C@H](CC(=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)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O is coA ester of bkas#12. It is also related to or classified as organic molecular entity .
The molecule C(CC=O)CNC(=O)CC[C@@H](C(=O)[O-])[NH3+] is an amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of gamma-glutamyl-gamma-aminobutyraldehyde; major species at pH 7.3. It is a tautomer of a gamma-glutamyl-gamma-aminobutyraldehyde.
The molecule CC(C)CCCC(C)CCCC(C)CCCC(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 a multi-methyl-branched fatty acyl-CoA(4-) oxanion arising from deprotonation of the phosphate and diphosphate OH groups of pristanoyl-CoA; major species at pH 7.3. It is a conjugate base of a pristanoyl-CoA.
The molecule CC1=NC(=CS1)CCC2C(C(=O)O2)CCCCCCCC=C is a beta-lactone carrying non-8-en-1-yl and 2-(2-methyl-1,3-thiazol-4-yl)ethyl substituents at positions 3 and 4 respectively. It is a beta-lactone, an olefinic compound and a member of 1,3-thiazoles.
The molecule N[C@@H](CC1=CC=C(CC(O)=O)C=C1)C(O)=O N[C@@H](CC1=CC=C(CC(O)=O)C=C1)C(O)=O is A 4-(carboxymethyl)phenylalanine that has L-configuration. It is also related to or classified as 4-(carboxymethyl)phenylalanine  . It is also related to or classified as L-phenylalanine derivative .
The molecule NCCCCC(O)=O NCCCCC(O)=O is A delta-amino acid comprising pentanoic acid with an amino substituent at C-5; a methylene homologue of gamma-aminobutyric acid (GABA) that is a weak GABA agonist. It has the role of human metabolite . Its functional parent is valeric acid . It is a conjugate acid of 5-aminopentanoate . It is also related to or classified as delta-amino acid , omega-amino fatty acid .
The molecule C(/C=C(/CC[C@@]1([C@@]2([C@](C(C)([C@](CC2)(O)[H])C)(CCC1=C)[H])C)[H])\C)C3=C(C=C(OC3=O)C)O C(/C=C(/CC[C@@]1([C@@]2([C@](C(C)([C@](CC2)(O)[H])C)(CCC1=C)[H])C)[H])\C)C3=C(C=C(OC3=O)C)O is sartorypyrone F. It is also related to or classified as isoprenoid  . It is also related to or classified as bicyclic compound .
The molecule CCOC(=O)C1=C(NC(=O)CC2NC3=C(NC2=O)C=C(C)C(C)=C3)SC(C)=C1C CCOC(=O)C1=C(NC(=O)CC2NC3=C(NC2=O)C=C(C)C(C)=C3)SC(C)=C1C is A quinoxaline derivative that is 6,7-dimethyl-1,2,3,4-tetrahydroquinoxaline substituted by 2-{[3-(ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]amino}-2-oxoethyl and oxo groups at positions 2 and 3, respectively. It is a nonsense-mediated mRNA decay (NMD) inhibitor. It is also related to or classified as secondary carboxamide  . It is also related to or classified as ethyl ester  . It is also related to or classified as thiophenes , quinoxaline derivative .
The molecule C12=C(N[C@@](C(C(C)O)=O)(CN1)[H])C(NC(=N2)N)=O C12=C(N[C@@](C(C(C)O)=O)(CN1)[H])C(NC(=N2)N)=O is A 6-lactoyl-5,6,7,8-tetrahydropterin in which the stereocentre at position 6 has R-configuration. It is also related to or classified as 6-lactoyl-5,6,7,8-tetrahydropterin  . It is also related to or classified as secondary alpha-hydroxy ketone  .
The molecule C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)C(=O)NC3=CC=C(C=C3)F C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)C(=O)NC3=CC=C(C=C3)F is 1-[[(3R,9R,10R)-16-(dimethylamino)-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-9-yl]methyl]-3-(4-fluorophenyl)-1-methylurea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@@H](/C=C/CCCCCCCCCC(C)C)O is an N-acyl-15-methylhexadecasphing-4-enine-1-phosphocholine in which the acyl group has 28 carbons and 0 double bonds. It derives from a 15-methylhexadecasphing-4-enine.
The molecule O=C(OCCC1=CC=C(O)C=C1)C[C@@H](O)C2=CC=C(O)C=C2 O=C(OCCC1=CC=C(O)C=C1)C[C@@H](O)C2=CC=C(O)C=C2 is Hypocrol A. It is also related to or classified as alcohol  . It is also related to or classified as phenols  .
The molecule CC(=O)N[C@@H](CC(O)=O)C(O)=O CC(=O)N[C@@H](CC(O)=O)C(O)=O is an N-acyl-L-aspartic acid in which the acyl group is specified as acetyl. It has the role of antioxidant . It has the role of nutraceutical . It has the role of mouse metabolite . It has the role of human metabolite . It has the role of rat metabolite . It is a conjugate acid of N-acetyl-L-aspartate(2-) .  It is also related to or classified as N-acyl-L-aspartic acid  . It is also related to or classified as N-acetyl-L-amino acid .
The molecule C[C@H](CC(=O)CC([O-])=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O C[C@H](CC(=O)CC([O-])=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O is conjugate base of bkas#12. It is also related to or classified as organic molecular entity .
The molecule CCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)OP(=O)([O-])[O-])OP(=O)([O-])[O-])O)O)OC(=O)CCCCCCC is a 1-phosphatidyl-1D-myo-inositol 3,4-bisphosphate(5-) in which the phosphatidyl acyl groups at positions 1 and 2 are both specified as octanoyl. It is a conjugate base of a 1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-3,4-bisphosphate).
The molecule CCCCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)O)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)OP(=O)(O)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)NC(=O)C[C@@H](CCCCCCCCCCC)O)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O is a tetra-acylated lipid A produced by E. coli as an intermediate in the lipid A biosynthetic pathway. It is a conjugate acid of a lipid IVA(4-).
The molecule CCN1C(=CC(=O)C(=C1C2=CC=C(C=C2)Cl)C(=O)O)C is a member of the class of 4-pyridones that is N-ethyl-4-pyridone that is substituted at positions 2, 3, and 6 by p-chlorophenyl, carboxy, and methyl groups, respectively. It is used (particularly as its potassium salt, known as karetazan-potassium) as a chemical hybridisation agent for commercial hybrid seed production. It is not approved for use within the European Union. It has a role as a chemical hybridisation agent. It is a monocarboxylic acid, a member of monochlorobenzenes, a biaryl and a member of 4-pyridones. It is a conjugate acid of a karetazan(1-).
The molecule CCCCC\C=C/C\C=C/C=C/C=C/[C@@H](SC1=CC=C(C=C1)C(O)=O)[C@@H](O)CCCC(O)=O CCCCC\C=C/C\C=C/C=C/C=C/[C@@H](SC1=CC=C(C=C1)C(O)=O)[C@@H](O)CCCC(O)=O is A dicarboxylic acid that is that is (7E,9E,11Z,14Z)-icosa-7,9,11,14-tetraenoic acid substituted by a hydroxy group at position 4S and a (4-carboxyphenyl)sulfanediyl group at 5R. It is a dual cysteinyl leukotriene receptor antagonist that acts at the CysLT1 and CysLT2 receptors (IC50 = 0.44 and 0.30 muM, respectively). It has the role of leukotriene antagonist . Its functional parent is icosa-7,9,11,14-tetraenoic acid . It is also related to or classified as organic sulfide  .   It is also related to or classified as secondary alcohol  . It is also related to or classified as benzoic acids , polyunsaturated fatty acid , dicarboxylic acid .
The molecule C12=C(C(=C3C(=C1)OC(=CC3=O)C)[O-])C(=CC(=C2)O)O C12=C(C(=C3C(=C1)OC(=CC3=O)C)[O-])C(=CC(=C2)O)O is A phenolate anion obtained by deprotonation of the 5-hydroxy group of norrubrofusarin. It is the major microspecies at pH 7.3. It is also related to or classified as phenolate anion .
The molecule CCCCCCCCCCCCCCCCCCCCC(=O)O is a long-chain fatty acid that is henicosane in which one of the methyl groups has been oxidised to give the corresponding carboxylic acid. It is a straight-chain saturated fatty acid and a long-chain fatty acid. It is a conjugate acid of a henicosanoate.
The molecule C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@H](O)[C@H](C)O[C@H]2OCCCCCCN)[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](C)O[C@H]2OCCCCCCN)[C@@H](O)[C@H](O)[C@@H]1O is A disaccharide derivative that is the 6-aminohexyl glycoside of the disaccharide alpha-L-fucopyranosyl-(1->2)-alpha-L-fucopyranose. It is also related to or classified as glycoside  . It is also related to or classified as disaccharide derivative .
The molecule [NH3+]C1CCCCC1 [NH3+]C1CCCCC1 is an ammonium ion resulting from the protonation of the amino group of cyclohexylamine. It has the role of human xenobiotic metabolite . It is a conjugate acid of cyclohexylamine . It is also related to or classified as ammonium ion derivative .
The molecule O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COS(O)(=O)=O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O[C@@H]3O[C@H]([C@H]([C@H]([C@@H]3O)O)O)C)O)O O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COS(O)(=O)=O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O[C@@H]3O[C@H]([C@H]([C@H]([C@@H]3O)O)O)C)O)O is alpha-L-Fucp-(1->2)-beta-D-Galp-(1->4)-D-Glcp6S in which the anomeric configuration of the 6-O-sulfo-D-glucose residue at the reducing end is beta. It is also related to or classified as alpha-L-Fucp-(1->2)-beta-D-Galp-(1->4)-D-Glcp6S  .
The molecule C12=C(N[C@@](C(C(C)=O)=O)(CN1)[H])C(NC(=N2)N)=O C12=C(N[C@@](C(C(C)=O)=O)(CN1)[H])C(NC(=N2)N)=O is A dyspropterin in which the stereocentre at position 6 has R-configuration. It is also related to or classified as dyspropterin  .
The molecule CC/C=C\\C[C@H]1/C(=C/C=C\\CCCCCCCC(=O)[O-])/O1 is an octadecanoid anion that is the conjugate base of (9Z,11Z,13S,15Z)-12,13-epoxyoctadecatrienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is an octadecanoid anion, a long-chain fatty acid anion and a polyunsaturated fatty acid anion. It is a conjugate base of a (9Z,11Z,13S,15Z)-12,13-epoxyoctadecatrienoic acid.
The molecule Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1C[C@H](CO)C=C1 Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1C[C@H](CO)C=C1 is the (active) (-)-enantiomer of the carbocyclic analogue of 2',3'-dideoxy-2',3'-didehydroguanosine. It has the role of HIV-1 reverse transcriptase inhibitor . It is also related to or classified as carbovir  .
The molecule O1C(C(O)C(O)C(O)C1OC=2C=C3OC(=CC(=O)C3=C(O)C2)C4=CC(OC)=C(O)C=C4)COC(=O)/C=C/C O1C(C(O)C(O)C(O)C1OC=2C=C3OC(=CC(=O)C3=C(O)C2)C4=CC(OC)=C(O)C=C4)COC(=O)/C=C/C is Thermopsoside, crotonoyl. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule C[C@H](CCCCC(=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)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O C[C@H](CCCCC(=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)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O is conjugate base of bkas#10-CoA. It is also related to or classified as organic molecular entity .
The molecule C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2C3=C(C=C(C4=C3OC(=CC4=O)C5=CC=C(C=C5)OC)O)O)CO)O)O)O)O)O is a flavone C-glycoside that is acacetin substituted by an alpha-rhamnosyl-(1->2)-beta-glucopyranosyl residue at position 8 via a C-glycosidic linkage. It has been isolated from Fortunella japonica and Fortunella margarita. It has a role as a plant metabolite. It is a flavone C-glycoside, a disaccharide derivative, a dihydroxyflavone and a monomethoxyflavone. It derives from a 5,7-dihydroxy-4'-methoxyflavone.
The molecule C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@H](OC([C@@H]2N)O)CO)O)O)O)O)O is a glycosylglucose derivative consisting of beta-D-galactopyranose and 2-amino-2-deoxy-D-glucopyranose residues joined in sequence by a (1->3) glycosidic bond. It is a glycosylglucose derivative and a primary amino compound. It derives from a 2-amino-2-deoxy-D-glucopyranose and a beta-D-galactose.
The molecule CC(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-])[C@H](C(=O)NCCC(=O)NCCSC(=O)CC4=CC(=CC(=C4)O)O)O is an acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate OH groups of 3,5-dihydroxyphenylacetyl-CoA; major species at pH 7.3. It is a conjugate base of a 3,5-dihydroxyphenylacetyl-CoA.
The molecule CCNC(=O)[C@H](C)OC(=O)Nc1ccccc1 CCNC(=O)[C@H](C)OC(=O)Nc1ccccc1 is A carbamate ester obtained by the formal condensation of  phenylcarbamic acid with the hydroxy group of N-ethyl-2-hydroxypropanamide. It has the role of herbicide . It has the role of xenobiotic . It has the role of environmental contaminant . Its functional parent is phenylcarbamic acid .  It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as carbamate ester .
The molecule [H][C@]12CC[C@]3([H])[C@](CC1=C)(C2)[C@@H](C([O-])=O)[C@]1([H])[C@@]2(C)[C@@H](O)[C@@H](O)C[C@@]31OC2=O [H][C@]12CC[C@]3([H])[C@](CC1=C)(C2)[C@@H](C([O-])=O)[C@]1([H])[C@@]2(C)[C@@H](O)[C@@H](O)C[C@@]31OC2=O is A gibberellin carboxylic acid anion that is the conjugate base of gibberellin A34, obtained by deprotonation of the carboxy group. It is also related to or classified as gibberellin carboxylic acid anion .
The molecule C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C)C(=O)N(C[C@@H]1OC)C)C)CC3CCCCC3 C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C)C(=O)N(C[C@@H]1OC)C)C)CC3CCCCC3 is N-[(4R,7S,8R)-5-(cyclohexylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC2=CC=3OC=C(C(=O)C3C=C2)C4=CC=C(OC)C=C4)CO[C@@H]5OC[C@@H](O)[C@H](O)C5O O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC2=CC=3OC=C(C(=O)C3C=C2)C4=CC=C(OC)C=C4)CO[C@@H]5OC[C@@H](O)[C@H](O)C5O is Formononetin 7-O-xylosyl-(1->6)-glucoside. It is also related to or classified as acrovestone  . It is also related to or classified as isoflavonoid .
The molecule C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)C(=O)C3=CC=CC=C3 C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)C(=O)C3=CC=CC=C3 is N-[[(3R,9R,10S)-16-(dimethylamino)-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-9-yl]methyl]-N-methylbenzamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule [H][C@@](C)(CCC=C(C)C(=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)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C [H][C@@](C)(CCC=C(C)C(=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)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C is A steroidal acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3alpha,7alpha,12alpha-trihydroxy-5beta-cholest-24-en-26-oic acid. It has the role of bile acid metabolite . It has the role of mouse metabolite . It has the role of human metabolite . It is also related to or classified as steroidal acyl-CoA .