anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C(CCCCCCCC(=O)O)CCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O is a beta-D-glucoside resulting from the formal condensation of the omega-hydroxy group of 16-hydroxyhexadecanoic acid (16-hydroxypalmitic acid) with beta-D-glucose. It derives from a 16-hydroxyhexadecanoic acid. It is a conjugate acid of a 16-(beta-D-glucopyranosyloxy)hexadecanoate.
The molecule COc1cc(-c2ccc(O)cc2)c(OC)c(O)c1-c1cc(O)c(O)c(CC=C(C)C)c1 COc1cc(-c2ccc(O)cc2)c(OC)c(O)c1-c1cc(O)c(O)c(CC=C(C)C)c1 is A para-terphenyl that is 1,1':4',1''-terphenyl substituted by methoxy groups at positions 3' and 6', a prenyl group at position 5 and hydroxy groups at positions 2', 3, 4 and 4''. Isolated from the fungus, Aspergillus taichungensis, it exhibits cytotoxic activity. It has the role of antineoplastic agent . It has the role of Aspergillus metabolite . It is also related to or classified as catechols  . It is also related to or classified as dimethoxybenzene , para-terphenyl .
The molecule OOC1CCOP(=O)(N1)N(CCCl)CCCl OOC1CCOP(=O)(N1)N(CCCl)CCCl is A phosphorodiamide that is the active metabolite of the nitrogen mustard cyclophosphamide. It has potent antineoplastic and immunosuppressive properties. It has the role of alkylating agent . It has the role of metabolite . It has the role of antineoplastic agent . It has the role of immunosuppressive agent . It has the role of drug allergen .  It is also related to or classified as peroxol  . It is also related to or classified as organochlorine compound  . It is also related to or classified as phosphorodiamide , nitrogen mustard .
The molecule [H][C@]12C[C@H]3O[C@H](O)[C@]4([H])[C@@](C)(CC[C@@]5([H])OC(=O)[C@](C1)(C(=O)C2=C)[C@]3([H])[C@@]45CO)COC(C)=O [H][C@]12C[C@H]3O[C@H](O)[C@]4([H])[C@@](C)(CC[C@@]5([H])OC(=O)[C@](C1)(C(=O)C2=C)[C@]3([H])[C@@]45CO)COC(C)=O is Maoesin A, (rel)-. It has the role of metabolite . It is also related to or classified as delta-lactone  .
The molecule CCCC(C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCC(=O)O)O is a HETE that consists of arachidonic acid bearing an additional hydroxy substituent at position 17. It derives from an icosa-5,8,11,14-tetraenoic acid. It is a conjugate acid of a 17-HETE(1-).
The molecule C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)COC)C(=O)N(C[C@H]1OC)C)C)C(=O)C C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)COC)C(=O)N(C[C@H]1OC)C)C)C(=O)C is N-[(5S,6R,9R)-8-acetyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-methoxyacetamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule B1(OC(=O)C(O1)(CC(=O)O)CC(=O)O)[C@H](CC(C)C)NC(=O)CNC(=O)C2=C(C=CC(=C2)Cl)Cl is a glycine derivative that is the amide obtained by formal condensation of the carboxy group of N-(2,5-dichlorobenzoyl)glycine with the amino group of 2,2'-{2-[(1R)-1-amino-3-methylbutyl]-5-oxo-1,3,2-dioxaborolane-4,4-diyl}diacetic acid. A prodrug for ixazomib that is used in combination therapy for treatment of multiple myeloma. It has a role as a prodrug, a proteasome inhibitor, an orphan drug, an antineoplastic agent and an apoptosis inducer. It is a glycine derivative, a member of benzamides, a dichlorobenzene, an oxo dicarboxylic acid and a 1,3,2-dioxaborolane. It derives from an ixazomib.
The molecule CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCN(CC4)CCO is a member of the class of phenothiazines that is 10H-phenothiazine substituted by a 3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl group at the nitogen atom and an acetyl group at position 2. It has a role as a phenothiazine antipsychotic drug. It is a member of phenothiazines, a N-alkylpiperazine and a N-(2-hydroxyethyl)piperazine. It derives from a 10H-phenothiazine.
The molecule CCCc1cc(ccn1)C(=O)[C@H]1C=CN(C=C1C(N)=O)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O CCCc1cc(ccn1)C(=O)[C@H]1C=CN(C=C1C(N)=O)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O is A nicotinamide dinucleotide comprising NADH having an (S)-2-propylisonicotinoyl group at the 4-position on the dihydronicotinamide ring. Its functional parent is NADH . It is also related to or classified as nicotinamide dinucleotide .
The molecule [C@H]([C@@H](C(=O)[O-])O)(C(=O)[O-])[NH3+] is conjugate base of (3S)-3-hydroxy-L-aspartic acid. It is a conjugate base of a (3S)-3-hydroxy-L-aspartic acid. It is an enantiomer of a (3R)-3-hydroxy-D-aspartate(1-).
The molecule O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1OP(=O)([O-])[O-])C=CCCC=CCC=CCC=CCC=CCC O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1OP(=O)([O-])[O-])C=CCCC=CCC=CCC=CCC=CCC is (2E,6Z,9Z,12Z,15Z)-octadecapentaenoyl-CoA(4-). It is also related to or classified as polyunsaturated fatty acyl-CoA(4-)  . It is also related to or classified as 4-saturated trans-2-enoyl-CoA(4-)  .
The molecule [H][C@@]12C[C@@H](C[C@@H](OC(C)=O)[C@@]1([H])[C@]1(C)CCCC(C)(C)[C@@]1([H])[C@H](O)C2=O)C(=C)CO [H][C@@]12C[C@@H](C[C@@H](OC(C)=O)[C@@]1([H])[C@]1(C)CCCC(C)(C)[C@@]1([H])[C@H](O)C2=O)C(=C)CO is Eriocasin E. It has the role of metabolite . It is also related to or classified as diterpenoid  .
The molecule OC[C@H]1OC(O)[C@H](NS(O)(=O)=O)[C@@H](O)[C@@H]1O OC[C@H]1OC(O)[C@H](NS(O)(=O)=O)[C@@H](O)[C@@H]1O is the N-sulfoglucosamine formed by sulfating the amino group of D-glucosamine. It is a conjugate acid of N-sulfo-D-glucosamine(1-) . It is also related to or classified as N-sulfoglucosamine  .
The molecule C([C@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OP(=O)([O-])[O-])O)O)O)O)OP(=O)([O-])[O-] is the tetra-anion obtained by removal of all of the protons from the phosphate groups of D-glycero-alpha-D-manno-heptose 1,7-bisphosphate. It is a conjugate base of a D-glycero-alpha-D-manno-heptose 1,7-bisphosphate.
The molecule COc1cc(-c2ccc(O)c(CC=C(C)C)c2)c(OC)c(O)c1-c1ccc(O)cc1 COc1cc(-c2ccc(O)c(CC=C(C)C)c2)c(OC)c(O)c1-c1ccc(O)cc1 is A para-terphenyl that is 1,1':4',1''-terphenyl substituted by methoxy groups at positions 3' and 6', a prenyl group at position 3'' and hydroxy groups at positions 2', 4 and 4''. Isolated from the fungus, Aspergillus taichungensis, it exhibits cytotoxic activity. It has the role of antineoplastic agent . It has the role of Aspergillus metabolite . It is also related to or classified as phenols  . It is also related to or classified as dimethoxybenzene , para-terphenyl .
The molecule C1=C(NC(=C1)C=O)CO is a pyrrole having formyl and hydroxymethyl substituents at positions 2 and 5 respectively; useful as indicator of advanced stages of the Maillard reaction, which produces advanced glycation end-products (AGEs). It has a role as a hapten. It is a member of pyrroles, an aldehyde and an aromatic primary alcohol.
The molecule O1[C@@H]([C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1OC2=C(O)C(O)=C(C=C2)C(=O)/C=C/C3=CC(O)=C(O)C=C3)CO[C@@H]4O[C@@H]([C@@H](O)[C@@H](O)[C@H]4O)CO O1[C@@H]([C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1OC2=C(O)C(O)=C(C=C2)C(=O)/C=C/C3=CC(O)=C(O)C=C3)CO[C@@H]4O[C@@H]([C@@H](O)[C@@H](O)[C@H]4O)CO is Okanin 4'-gentiobioside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule CCOC(=O)C1=C2C(=C(S1)C)C(=O)NC(N2)C3=CC=C(C=C3)Cl CCOC(=O)C1=C2C(=C(S1)C)C(=O)NC(N2)C3=CC=C(C=C3)Cl is 2-(4-chlorophenyl)-5-methyl-4-oxo-2,3-dihydro-1H-thieno[3,4-d]pyrimidine-7-carboxylic acid ethyl ester. It is also related to or classified as organic heterobicyclic compound , organonitrogen heterocyclic compound , organosulfur heterocyclic compound .
The molecule CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)O)CO)CO)O)O is alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-D-GlcpNAc with beta configuration at the anomeric position of the reducing-end N-acetyl-D-glucosamine residue. It has a role as an epitope.
The molecule CC(C)C1CCC(C)C23CCC4(C)C(CC=C(C)C24)C13 CC(C)C1CCC(C)C23CCC4(C)C(CC=C(C)C24)C13 is A diterpene produced by a diterpene synthase from Allokutzneria albata. It has the role of bacterial metabolite . It is also related to or classified as diterpene  . It is also related to or classified as carbotricyclic compound .
The molecule C1=CC(=CC=C1[N+](=O)[O-])[O-] is a phenolate anion that is the conjugate base of 4-nitrophenol; major species at pH 7.3. It has a role as a human xenobiotic metabolite. It is a conjugate base of a 4-nitrophenol.
The molecule O([C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O[C@@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)CO)CO)[C@@H]3[C@H](O)[C@@H](O)C(O[C@@H]3CO)O O([C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O[C@@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)CO)CO)[C@@H]3[C@H](O)[C@@H](O)C(O[C@@H]3CO)O is A trisaccharide consisting of beta-D-galctopyranose, beta-D-glucopyranose and D-galactopyranose residues joined in sequence by (1->2) and (1->4) glycosidic bonds. It is also related to or classified as trisaccharide .
The molecule [H][C@@]12CCCC[C@]11CC[N@]2Cc2cc3OCOc3cc12 [H][C@@]12CCCC[C@]11CC[N@]2Cc2cc3OCOc3cc12 is crinan. It is also related to or classified as isoquinoline alkaloid , isoquinoline alkaloid fundamental parent .
The molecule CC(C)NC(=O)N1CC2(C1)[C@H]([C@H](N2C(=O)C3CCCC3)CO)C4=CC=CC=C4 CC(C)NC(=O)N1CC2(C1)[C@H]([C@H](N2C(=O)C3CCCC3)CO)C4=CC=CC=C4 is (2S,3S)-1-[cyclopentyl(oxo)methyl]-2-(hydroxymethyl)-3-phenyl-N-propan-2-yl-1,6-diazaspiro[3.3]heptane-6-carboxamide. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@H]([C@@H](CN(C2=O)C)OC)C)CC3=CN=CC=C3)C CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@H]([C@@H](CN(C2=O)C)OC)C)CC3=CN=CC=C3)C is N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3-pyridinylmethyl)-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 C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)[O-] is a monohydroxybenzoate that is obtained by removal of a proton from the carboxylic acid group of 5-nitrosalicylic acid. It is a salicylate and a monohydroxybenzoate. It is a conjugate base of a 5-nitrosalicylic acid.
The molecule CC(CC1=CC=C(C=C1)O)NCC(C2=CC(=CC(=C2)O)O)O.Br is the hydrobromide salt of fenoterol. A beta2-adrenergic agonist, it is used as a bronchodilator in the management of reversible airway obstruction. It has a role as a bronchodilator agent, a beta-adrenergic agonist and a sympathomimetic agent. It contains a fenoterol.
The molecule CC(=CCC[C@@]1(CC[C@@]2([C@H]3CC=C4[C@H]([C@@]3(CC[C@]2(C1)C)C)CC[C@@H](C4(C)C)O)C)C)C is a tetracyclic triterpenoid that is chrysene which has been fully hydrogenated except for a double bond between the 12 and 12a positions and which is substituted by methyl groups at positions 1, 1, 4b, 6a, 8 and 10a positions, and by a 4-methylpent-3-en-1-yl group at position 8 (the 2S,4aS,4bR,6aS,8R,10aR,10bS-diastereoisomer). It has been isolated from the root bark of the Panamanian tree Maytenus blepharodes. It has a role as a metabolite. It is a tetracyclic triterpenoid and a secondary alcohol.
The molecule NCC(=O)NCCCC[C@H](N)C(O)=O NCC(=O)NCCCC[C@H](N)C(O)=O is A L-lysine derivative with a glycyl group at the N(6)-position. It is also related to or classified as L-lysine derivative , non-proteinogenic L-alpha-amino acid .
The molecule CCCCC\C=C/C\C=C/C\C=C/C=C/[C@H](CCCC([O-])=O)OO CCCCC\C=C/C\C=C/C\C=C/C=C/[C@H](CCCC([O-])=O)OO is conjugate base of 5(S)-HPETE arising from deprotonation of the carboxylic acid function. It has the role of human metabolite . It is also related to or classified as HPETE anion .
The molecule CC(C1=CC=CC=C1)NC(=O)COC(=O)C2=CC=C(S2)[N+](=O)[O-] CC(C1=CC=CC=C1)NC(=O)COC(=O)C2=CC=C(S2)[N+](=O)[O-] is 5-nitro-2-thiophenecarboxylic acid [2-oxo-2-(1-phenylethylamino)ethyl] ester. It is also related to or classified as thiophenes , C-nitro compound .
The molecule O1C([C@H](O)C(O)C(O)[C@@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC=C(O)C=C4)CO[C@@H]5OC([C@@H](O)[C@H](O)C5O)CO O1C([C@H](O)C(O)C(O)[C@@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC=C(O)C=C4)CO[C@@H]5OC([C@@H](O)[C@H](O)C5O)CO is Kaempferol 3-glucosyl-(1->6)-galactoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule [H][C@@]12C[C@@H](CC[C@@]1([H])[C@]1(C)[C@@H](O)C[C@H](OC(C)=O)[C@@](C)(COC(C)=O)[C@@]1([H])[C@H](O)C2=O)C(=C)C=O [H][C@@]12C[C@@H](CC[C@@]1([H])[C@]1(C)[C@@H](O)C[C@H](OC(C)=O)[C@@](C)(COC(C)=O)[C@@]1([H])[C@H](O)C2=O)C(=C)C=O is 3beta-Acetoxyeriocasin D. It has the role of metabolite . It is also related to or classified as 7alpha-hydroxy steroid  .
The molecule C(CS(=O)[O-])C(=O)[O-] is a monocarboxylic acid anion obtained by deprotonation of the carboxy and sulfino groups of 3-sulfinopropionic acid. Major microspecies at pH 7.3 It is an organosulfinate oxoanion and a monocarboxylic acid anion. It is a conjugate base of a 3-sulfinopropionic acid.
The molecule CCCCC[C@@H](/C=C/C=C\\C=C\\[C@H](C/C=C\\CCCC(=O)[O-])O)O is a DiHETE(1-) that is the conjugate base of 8(S),15(S)-DiHETE arising from deprotonation of the carboxylic acid function; major species at pH 7.3. It is a dihydroxyicosatetraenoate and a long-chain fatty acid anion. It is a conjugate base of an 8(S),15(S)-DiHETE.
The molecule CCNC1=C(N=C(C(=N1)C)CN(C2=CC=CC=C2)C(=O)C)C#N CCNC1=C(N=C(C(=N1)C)CN(C2=CC=CC=C2)C(=O)C)C#N is N-[[6-cyano-5-(ethylamino)-3-methyl-2-pyrazinyl]methyl]-N-phenylacetamide. It is also related to or classified as anilide  . It is also related to or classified as acetamides .
The molecule C[C@@H]1C[C@H]2[C@H]([C@@H]([C@]3([C@H]1C=CC3=O)C)OC(=O)C)C(=C)C(=O)O2 is a sesquiterpene lactone that is 3,3a,4,4a,7a,8,9,9a-octahydroazuleno[6,5-b]furan-2,5-dione substituted by methyl groups at positions 4a and 8, a methylidene group at position 3 and an acetoxy group at position 4. Isolated from Inula hupehensis, it exhibits antineoplastic activity. It has a role as an apoptosis inducer, an immunomodulator, an antineoplastic agent and a plant metabolite. It is an acetate ester, an organic heterotricyclic compound, a sesquiterpene lactone, a cyclic ketone and a gamma-lactone.
The molecule C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)CC3CCCCC3 C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)CC3CCCCC3 is 1-[(3S,9S,10S)-9-[[cyclohexylmethyl(methyl)amino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)O[C@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C)O)O[C@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)C)O)O)O[C@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)C)O)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)NC(=O)C)O is a branched amino pentasaccharide consisting of four alpha-L-rhamnose residues (one at the reducing end) and a single beta-D-N-acetylglucosamine residue.
The molecule [H][C@@]1(CC[C@]2(O)[C@]3([H])CC[C@]4(O)C[C@H](CC[C@]4(C=O)[C@@]3([H])CC[C@]12C)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C1=CC(=O)OC1 [H][C@@]1(CC[C@]2(O)[C@]3([H])CC[C@]4(O)C[C@H](CC[C@]4(C=O)[C@@]3([H])CC[C@]12C)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C1=CC(=O)OC1 is A cardenolide glycoside that consists of strophanthidin having a 6-deoxy-alpha-L-mannopyranosyl (L-rhamnosyl) group attached at position 3. It has the role of metabolite . It has the role of vasodilator agent . Its functional parent is strophanthidin .   It is also related to or classified as alpha-L-rhamnoside  . It is also related to or classified as steroid aldehyde , steroid lactone , 14beta-hydroxy steroid , 19-oxo steroid , 5beta-hydroxy steroid .
The molecule C[C@@H]1CN[C@@H](COC2=C(C=CC(=C2)NC(=O)NC3=CC=CC=C3Cl)C(=O)N(C[C@@H]1OC)C)C C[C@@H]1CN[C@@H](COC2=C(C=CC(=C2)NC(=O)NC3=CC=CC=C3Cl)C(=O)N(C[C@@H]1OC)C)C is 1-(2-chlorophenyl)-3-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C[C@H]1[C@@H](C[C@H]([C@@H](O1)OCCCCC/C=C/C(=O)[O-])O)O is a hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#13, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of an oscr#13.
The molecule CNC(=O)O[C@@H](CC(C)C)c1nc(cs1)[C@H]1OC(=O)C\C=C\C(C)=C\[C@@H](O)[C@@H](C)\C=C(C)/C=C(C)\C=C\[C@@H](O)[C@H](C)[C@H](OC)\C(C)=C\C=C\[C@@H]1C CNC(=O)O[C@@H](CC(C)C)c1nc(cs1)[C@H]1OC(=O)C\C=C\C(C)=C\[C@@H](O)[C@@H](C)\C=C(C)/C=C(C)\C=C\[C@@H](O)[C@H](C)[C@H](OC)\C(C)=C\C=C\[C@@H]1C is archazolid F. It has the role of metabolite . It is also related to or classified as macrolide  .
The molecule CC=CC1=CC=C(C=C1)[C@H]2[C@@H](N[C@H]2CO)CN(CC(C)C)C(=O)C3=CC=CC=N3 CC=CC1=CC=C(C=C1)[C@H]2[C@@H](N[C@H]2CO)CN(CC(C)C)C(=O)C3=CC=CC=N3 is LSM-42556. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule [H]C(CC)=CCCCCCCC([O-])=O [H]C(CC)=CCCCCCCC([O-])=O is an undecenoate that is the conjugate base of 8-undecenoic acid. It is also related to or classified as undecenoate .
The molecule [H][C@@]12C[C@@H](CC[C@@]1([H])[C@]1(C)CC[C@H](OC(C)=O)[C@@](C)(COC(C)=O)[C@@]1([H])[C@H](O)C2=O)C(=C)C=O [H][C@@]12C[C@@H](CC[C@@]1([H])[C@]1(C)CC[C@H](OC(C)=O)[C@@](C)(COC(C)=O)[C@@]1([H])[C@H](O)C2=O)C(=C)C=O is 3-acetyleriocasin C, (rel)-. It has the role of metabolite . It is also related to or classified as 7alpha-hydroxy steroid  .
The molecule C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])OC[C@@H]4[C@H]([C@H]([C@H](O4)NC(=[NH+]CCC[C@@H](C(=O)[O-])[NH3+])N)O)O)O)O)N is a nucleotide-sugar oxoanion that is the conjugate base of N(omega)-(ADP-D-ribosyl)-L-arginine; major species at pH 7.3. It is a conjugate base of a N(omega)-(ADP-D-ribosyl)-L-arginine.
The molecule C/C(=C\\C=C\\C(=C\\C(=O)[O-])\\C)/C=C/C12C(CCCC1(O2)C)(C)C is a monocarboxylic acid anion that is the conjugate base of 5,6-epoxyretinoic acid arising from deprotonation of the carboxylic acid function; major species at pH 7.3. It is a monocarboxylic acid anion and a retinoid anion. It is a conjugate base of a 5,6-epoxyretinoic acid.
The molecule CN1[C@@H](CCC1=O)C2=C[N+](=CC=C2)[O-] is an N-alkylpyrrolidine that is nicotine in which the methylene hydrogens at position 2 on the pyrrolidine ring have been replaced by an oxo group and the pyridine nitrogen converted into the corresponding N-oxide. A minor metabolite of nicotine. It has a role as a drug metabolite, a human urinary metabolite, a rat metabolite and a mouse metabolite. It is a N-alkylpyrrolidine, a member of pyrrolidin-2-ones and a member of pyridine N-oxides. It derives from a nicotine.
The molecule O([C@@H]1[C@@H](NC(=O)C)[C@@H](O[C@@H]([C@H]1O)CO)O)[C@@H]2O[C@@H]([C@H](O)C[C@H]2O[C@@H]3O[C@H]([C@@H](O)[C@@H](O)[C@@H]3O)C)CO O([C@@H]1[C@@H](NC(=O)C)[C@@H](O[C@@H]([C@H]1O)CO)O)[C@@H]2O[C@@H]([C@H](O)C[C@H]2O[C@@H]3O[C@H]([C@@H](O)[C@@H](O)[C@@H]3O)C)CO is an amino trisaccharide consisting of alpha-L-fucopyranose, 3-deoxy-beta-D-xylo-hexopyranose and 2-acetamido-2-deoxy-beta-D-glucopyranose residues joined in sequence by (1->2) and (1->3) glycosidic bonds. It is also related to or classified as acetamides , amino trisaccharide .
The molecule CC(=CCC1=CC2=C(C=C1O)OC(=O)C3=C2OC4=C3C=CC(=C4)O)C is a member of the class of coumestans that is coumestan substituted by hydroxy groups at positions 3 and 9 and a prenyl group at position 2 respectively. It has a role as a plant metabolite and an estrogen receptor agonist. It is a member of coumestans, a polyphenol and a delta-lactone. It derives from a coumestan.
The molecule O([C@H]1[C@@H](O)[C@H](OC(O)[C@@H]1O)CO)[C@H]2O[C@H]([C@@H](O)[C@@H](O)[C@@H]2O)C O([C@H]1[C@@H](O)[C@H](OC(O)[C@@H]1O)CO)[C@H]2O[C@H]([C@@H](O)[C@@H](O)[C@@H]2O)C is A glycosylgalactose consisting of beta-L-fucopyranose and D-galactopyranose residues joined in sequence by a (1->3) glycosidic bond. Its functional parent is D-galactopyranose . Its functional parent is beta-L-fucose . It is also related to or classified as glycosylgalactose .
The molecule C=1C=C(C[C@@H](C(=O)O)NO)C=CC1O C=1C=C(C[C@@H](C(=O)O)NO)C=CC1O is an L-tyrosine derivative obtained by replacement of one of the amino hydrogen by a hydroxy group. It is a conjugate acid of N-hydroxy-L-tyrosinate .  It is also related to or classified as N-hydroxy-alpha-amino-acid  . It is also related to or classified as L-tyrosine derivative .
The molecule CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl is a member of the class of phenylureas that is urea in which both of the hydrogens attached to one nitrogen are substituted by methyl groups, and one of the hydrogens attached to the other nitrogen is substituted by a 3,4-dichlorophenyl group. It has a role as a herbicide, a photosystem-II inhibitor, a xenobiotic and an environmental contaminant. It is a dichlorobenzene and a member of phenylureas.
The molecule CNC(=O)O[C@@H](CC(C)C)c1nc(cs1)[C@H]1OC(=O)\C(C)=C\C\C(C)=C\[C@@H](O)[C@@H](C)\C=C(C)/C=C(C)\C=C\[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](C)[C@H](OC)\C(C)=C\C=C\[C@@H]1C CNC(=O)O[C@@H](CC(C)C)c1nc(cs1)[C@H]1OC(=O)\C(C)=C\C\C(C)=C\[C@@H](O)[C@@H](C)\C=C(C)/C=C(C)\C=C\[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](C)[C@H](OC)\C(C)=C\C=C\[C@@H]1C is archazolid E. It has the role of metabolite . It is also related to or classified as macrolide  .
The molecule NOCC([O-])=O NOCC([O-])=O is A monocarboxylic acid anion that is the conjugate base of (aminooxy)acetic acid, resulting from the deprotonation of the carboxy group. Major microspecies at pH 7.3. It is also related to or classified as monocarboxylic acid anion  .
The molecule [H][C@]12CC[C@@]34C[C@@H](CC[C@@]3([H])[C@]1(C)C[C@@H](C[C@H]2C(O)=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C(=C)[C@@H]4O [H][C@]12CC[C@@]34C[C@@H](CC[C@@]3([H])[C@]1(C)C[C@@H](C[C@H]2C(O)=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C(=C)[C@@H]4O is A diterpene glycoside that is atractyligenin having a single beta-D-glucuronic acid residue attached at position 2. It has the role of human blood serum metabolite . Its functional parent is atractyligenin . Its functional parent is beta-D-glucuronic acid . It is also related to or classified as beta-D-glucosiduronic acid , dicarboxylic acid , ent-kaurane diterpenoid , monosaccharide derivative , diterpene glycoside .
The molecule [H][C@@]12C[C@@H](CC[C@@]1([H])[C@]1(C)[C@@H](O)CC[C@@](C)(COC(C)=O)[C@@]1([H])[C@H](O)C2=O)C(=C)C=O [H][C@@]12C[C@@H](CC[C@@]1([H])[C@]1(C)[C@@H](O)CC[C@@](C)(COC(C)=O)[C@@]1([H])[C@H](O)C2=O)C(=C)C=O is Eriocasin D. It has the role of metabolite . It is also related to or classified as diterpenoid  .
The molecule OC(=O)CN(C(CN)=O)C OC(=O)CN(C(CN)=O)C is A dipeptide obtained by formal condensation of the carboxy group of glycine with the amino group of sarcosine. It is also related to or classified as dipeptide  .
The molecule C1C(COC1(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl)Br is a member of the class of oxolanes carrying 1,2,4-triazol-ylmethyl and 2,4-dichlorophenyl substituents at position 2 as well as a bromo substituent at position 4. A foliar applied conazole fungicide for a range of crops including cereals, fruit, vegetables and vines. It has a role as an EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor and an antifungal agrochemical. It is a dichlorobenzene, an organobromine compound, a member of oxolanes, a member of triazoles, a conazole fungicide and a triazole fungicide.
The molecule O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@H]1O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO)CO[C@@H]3O[C@@H]([C@H](O)[C@H](O)[C@H]3O)CO O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@H]1O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO)CO[C@@H]3O[C@@H]([C@H](O)[C@H](O)[C@H]3O)CO is A trisaccharide consisting of a beta-D-galactopyranose residue and two alpha-D-glucopyranose residues joined in sequence by (1->6) and (1->1) glycosidic bonds. Its functional parent is alpha,alpha-trehalose . Its functional parent is alpha-allolactose . It is also related to or classified as trisaccharide .