anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C\C=C\C=C\C=C\C(=O)\C=C(O)\C1=C2C=C3C[C@@H](CO)OC=C3C(=O)[C@@]2(C)OC1=O C\C=C\C=C\C=C\C(=O)\C=C(O)\C1=C2C=C3C[C@@H](CO)OC=C3C(=O)[C@@]2(C)OC1=O is A natural cell-permeable fluorescent compound isolated from the fungus Epicoccum nigrum. It has the role of fluorochrome . It is also related to or classified as organic heterotricyclic compound .
The molecule C[N+]1(C[C@@H](C[C@@H]1C(=O)[O-])O)C is an amino-acid betaine that is trans-4-hydroxy-D-proline zwitterion in which both of the hydrogens attached to the nitrogen have been replaced by methyl groups. It has a role as a plant metabolite. It is an amino-acid betaine, a secondary alcohol and a pyrrolidine alkaloid.
The molecule C(C[C@@H](C(=O)O)N)CN=C(N)NC(CC(=O)O)C(=O)O is a L-arginine derivative, a member of guanidines and a non-proteinogenic L-alpha-amino acid. It has a role as an Escherichia coli metabolite and a mouse metabolite. It is a conjugate acid of a (N(omega)-L-arginino)succinate(1-).
The molecule [H][C@]12NC(=N)N[C@@]1(O)[C@@]1([H])[C@H](CNC(=O)c3cc(Br)c(Br)[nH]3)[C@@H](CNC(=O)c3cc(Br)c(Br)[nH]3)[C@H](O)[C@@]11NC(=N)N[C@@]1([H])O2 [H][C@]12NC(=N)N[C@@]1(O)[C@@]1([H])[C@H](CNC(=O)c3cc(Br)c(Br)[nH]3)[C@@H](CNC(=O)c3cc(Br)c(Br)[nH]3)[C@H](O)[C@@]11NC(=N)N[C@@]1([H])O2 is an alkaloid isolated from Stylissa massa. It has the role of EC 2.5.1.59 (protein geranylgeranyltransferase type I) inhibitor . It has the role of animal metabolite . It has the role of marine metabolite . It is also related to or classified as alkaloid  .  It is also related to or classified as organobromine compound  . It is also related to or classified as guanidines , pyrrolecarboxamide .
The molecule CCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O CCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O is an N-acyl-L-homoserine lactone having 3-oxododecanoyl as the acyl substituent. It has the role of bacterial metabolite . It is also related to or classified as N-(3-oxododecanoyl)homoserine lactone  . It is also related to or classified as N-acyl-L-homoserine lactone  .
The molecule CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC is A phosphatidylethanolamine in which the phosphatidyl acyl groups are both oleoyl. It is also related to or classified as phosphatidylethanolamine  .
The molecule CCCCCCCCCCCCCCCCCCCC(O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CCCCCCCCCCCCCCCCCCCC(O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 is A 3-hydroxy fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of 3-hydroxydocosanoyl-CoA. It is also related to or classified as 3-hydroxy fatty acyl-CoA(4-)  . It is also related to or classified as 11,12-saturated fatty acyl-CoA(4-)  .
The molecule C([C@@H]([C@H]([C@@H](C(=O)[O-])O)O)O)O is a xylonate. It has a role as a human metabolite. It is a conjugate base of a L-xylonic acid. It is an enantiomer of a D-xylonate.
The molecule C1[C@@]2(N3CC[C@@]42[C@]5(N(C=6C4=CC=C(C6)OC)C(C[C@]7([C@@]5([C@@]1(C(=CCO7)C3)[H])[H])[H])=O)[H])[H] C1[C@@]2(N3CC[C@@]42[C@]5(N(C=6C4=CC=C(C6)OC)C(C[C@]7([C@@]5([C@@]1(C(=CCO7)C3)[H])[H])[H])=O)[H])[H] is A monoterpenoid indole alkaloid that is strychnine in which the hydrogen at position 3 has been replaced by a methoxy group. It is a minor alkaloid from Strychnos nux-vomica. It has the role of plant metabolite . Its functional parent is strychnine . It is also related to or classified as aromatic ether , organic heteroheptacyclic compound , monoterpenoid indole alkaloid .
The molecule C[C@]12CC(=O)[C@@H]3C[C@]1(O[C@@H]([C@@H]3COC(=O)C4=CC=CC=C4)O2)O is a terpenoid with formula C17H18O6, isolated from several species of Paeoniae. It has a role as a neuromuscular agent and a plant metabolite. It is a benzoate ester, a monoterpenoid, a cyclic acetal, an alicyclic ketone, a bridged compound and a lactol.
The molecule Nc1nc2NCC(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)Nc2c(=O)[nH]1 Nc1nc2NCC(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)Nc2c(=O)[nH]1 is 5,6,7,8-tetrahydrofolic acid. It has the role of Saccharomyces cerevisiae metabolite . It is a conjugate acid of 5,6,7,8-tetrahydrofolate(2-) . It is also related to or classified as tetrahydrofolic acid .
The molecule C1C[C@@H]([C@H](C[C@H]1C2=CC=CC=C2)O)C3=CC=C(C=C3)C(=O)NCCCC(=O)O is a gamma-aminobutyric acid (GABA)-based hapten where a 4-substituted benzoyl group is attached to nitrogen. It has a role as a hapten. It is a monocarboxylic acid, a member of cyclohexanols and a N-acyl-gamma-aminobutyric acid. It derives from a gamma-aminobutyric acid.
The molecule [H][C@@]12CC[C@@]3(C)C4=CC[C@]5(CCC(C)(C)C[C@@]5([H])[C@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@H](O)C2(C)C)C(O)=O [H][C@@]12CC[C@@]3(C)C4=CC[C@]5(CCC(C)(C)C[C@@]5([H])[C@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@H](O)C2(C)C)C(O)=O is A pentacyclic triterpenoid isolated from Maprounea africana and has been shown to exhibit inhibitory activity against HIV-1 reverse transcriptase. It has the role of HIV-1 reverse transcriptase inhibitor . It has the role of plant metabolite . It is also related to or classified as pentacyclic triterpenoid , hydroxy monocarboxylic acid .
The molecule O1C=2C(=C(OC)C=3OCOC3C2)C(=O)C(OC)=C1C4=CC=5OCOC5C(OC)=C4 O1C=2C(=C(OC)C=3OCOC3C2)C(=O)C(OC)=C1C4=CC=5OCOC5C(OC)=C4 is 3,5,3'-Trimethoxy-6,7:4',5'-bis(methylenedioxy)flavone. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule CC(=C)CCNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O CC(=C)CCNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O is A hydrocarbyladenosine in which adenosine is substituted at N-6 by an isopentenyl group. It has the role of cytokinin .  It is also related to or classified as isoprenoid  . It is also related to or classified as hydrocarbyladenosine .
The molecule C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OCC4C(=C(C5C(O4)NC6=C(N5)C(=O)NC(=N6)N)[S-])[S-])O)O)N=C(NC2=O)N.C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OCC4C(=C(C5C(O4)NC6=C(N5)C(=O)NC(=N6)N)[S-])[S-])O)O)N=C(NC2=O)N.O=[Mo+4] is an Mo-molybdopterin cofactor comprising two molecules of molybdopterin guanine dinucleotide attached via their sulfur atoms to a central Mo(=O) moiety. It is a molybdopterin dinucleotide and a Mo-molybdopterin cofactor. It is a conjugate acid of a Mo(=O)-bis(molybdopterin guanine dinucleotide)(4-).
The molecule C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC(=C2N)S(=O)(=O)[O-])C4=CC(=C(C=C4)[O-])C(=O)O.[Na+].[Na+] is an organic sodium salt resulting from the formal condensation of Chrome fast yellow 8GL (acid form) with two equivalents of sodium hydroxide. It has a role as a fluorochrome and a histological dye. It contains a Chrome fast yellow 8GL(2-).
The molecule [H]C(=O)CC[C@H](N)C(O)=O [H]C(=O)CC[C@H](N)C(O)=O is A glutamic semialdehyde arising from formal reduction of the side-chain carboxy group of L-glutamic acid. It has the role of mouse metabolite . It has the role of Saccharomyces cerevisiae metabolite . It has the role of Escherichia coli metabolite . It has the role of human metabolite . It is also related to or classified as glutamic semialdehyde .
The molecule C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)COC)C(=O)N(C[C@@H]1OC)C)C)C(=O)COC C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)COC)C(=O)N(C[C@@H]1OC)C)C)C(=O)COC is 2-methoxy-N-[(4S,7R,8R)-8-methoxy-5-(2-methoxy-1-oxoethyl)-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 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@@]3(C[C@@H]([C@H]([C@@H](O3)[C@@H]([C@@H](CO)O[C@@]4(C[C@@H]([C@H]([C@@H](O4)[C@@H]([C@@H](CO)O)O)NC(=O)CO)O)C(=O)O)O)NC(=O)CO)O)C(=O)O)O)O is a linear amino tetrasaccharide comprising two alpha-N-glycoloylneuraminyl residues, a beta-D-galactose residue and (at the reducing end) an N-acetyl-D-glucosamine residue, linked sequentially (2->8), (2->3) and (1->4). It is a glucosamine oligosaccharide and an amino tetrasaccharide.
The molecule CC(C)=CCC[C@@]1(C)Oc2c(C=C1)c(O)c(CC=C(C)C)c(O)c2C(=O)\C=C\c1ccc(O)c(O)c1 CC(C)=CCC[C@@]1(C)Oc2c(C=C1)c(O)c(CC=C(C)C)c(O)c2C(=O)\C=C\c1ccc(O)c(O)c1 is the (R)-enantiomer of mallotophilippen E. It is also related to or classified as mallotophilippen E  .
The molecule CN1CC[C@@H]2CC[C@H]([C@@H](O2)COC3=C(C=C(C=C3)C#N)C(=O)N(C[C@H](CC1=O)C4=CC=CC=C4)C)OC CN1CC[C@@H]2CC[C@H]([C@@H](O2)COC3=C(C=C(C=C3)C#N)C(=O)N(C[C@H](CC1=O)C4=CC=CC=C4)C)OC is LSM-42629. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CN(C)c1ncnc2n(cnc12)[C@@H]1O[C@H](COP(=O)(NCCCC[C@H](NC(C)=O)C(O)=O)N2CCOCC2)[C@@H](O)[C@H]1O CN(C)c1ncnc2n(cnc12)[C@@H]1O[C@H](COP(=O)(NCCCC[C@H](NC(C)=O)C(O)=O)N2CCOCC2)[C@@H](O)[C@H]1O is A phosphorodiamidate ester of N,N-dimethyladenosine in which the NR2 groups on phosphorus are morpholino and N(2)-acetyl-N(5)-L-lysino. It is also related to or classified as adenosines , phosphorodiamidate ester .
The molecule [C@@]1([C@@H]([C@H]([C@@H]([C@H](C(C)C)C)O)O)C)([H])[C@]2(CC[C@]3([C@@](C[C@@H]([C@]4(C[C@H](CC[C@@]43C)O)[H])O)([C@@]2(CC1)[H])[H])[H])C [C@@]1([C@@H]([C@H]([C@@H]([C@H](C(C)C)C)O)O)C)([H])[C@]2(CC[C@]3([C@@](C[C@@H]([C@]4(C[C@H](CC[C@@]43C)O)[H])O)([C@@]2(CC1)[H])[H])[H])C is 6alpha-hydroxyteasterone. It is also related to or classified as brassinosteroid , 3-hydroxy steroid , 6alpha-hydroxy steroid , 22-hydroxy steroid , 23-hydroxy steroid .
The molecule C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O)NC(=O)C is a UDP-amino sugar having 2,4-diacetamido-2,4,6-trideoxy-alpha-D-glucopyranose as the amino sugar component. It derives from a bacillosamine. It is a conjugate acid of an UDP-N,N'-diacetylbacillosamine(2-).
The molecule CCCCCCCCCCCCCCC[C@H]([C@H](CO)NC(=O)CCCCCCCCC/C=C\\CCCCCCCC)O is an N-icosenoylsphinganine in which the double bond is located at position 11 (the Z-geoisomer). It is a N-icosenoylsphinganine and a Cer(d38:1). It derives from an (11Z)-icos-11-enoic acid.
The molecule CC1=C(C(=O)C2=C(C1=O)C(=CC(=C2)OC/C=C(\\C)/CCC=C(C)C)O)OC is a hydroxy-1,4-naphthoquinone that is 3-methylflaviolin in which the hydroxyl hydrogens at positions 2 and 7 are replaced by methyl and geranyl groups respectively. It has a role as a bacterial metabolite. It is an olefinic compound, a member of phenols, an enol ether and a hydroxy-1,4-naphthoquinone. It derives from a flaviolin.
The molecule C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3CCC3)C(=O)N(C[C@H]1OC)C)C)CC4CCCCC4 C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3CCC3)C(=O)N(C[C@H]1OC)C)C)CC4CCCCC4 is N-[(5S,6R,9S)-8-(cyclohexylmethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclobutanecarboxamide.  It is also related to or classified as lactam  . It is also related to or classified as cyclobutanes , azamacrocycle .
The molecule CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\\CCCCCCCC is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which the acyl substituent both at positions 1 and 2 is specified as (9Z)-octadecenoyl respectively. It has a role as a mouse metabolite. It derives from an oleic acid.
The molecule CC(C)=CCC[C@]1(C)Oc2c(C=C1)c(O)c(CC=C(C)C)c(O)c2C(=O)\C=C\c1ccc(O)c(O)c1 CC(C)=CCC[C@]1(C)Oc2c(C=C1)c(O)c(CC=C(C)C)c(O)c2C(=O)\C=C\c1ccc(O)c(O)c1 is the (S)-enantiomer of mallotophilippen E. It is also related to or classified as mallotophilippen E  .
The molecule CN(C)c1ncnc2[nH]cnc12 CN(C)c1ncnc2[nH]cnc12 is A tertiary amine that is adenine substituted at N-6 by geminal methyl groups. Its functional parent is adenine . It is also related to or classified as tertiary amine  .
The molecule C(C(=O)[O-])[NH3+] is an amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of glycine. It is a tautomer of a glycine.
The molecule C(C(/C(=C\\C(=O)O)/C=C/C(=O)O)O)C(=O)O is a tricarboxylic acid that is hexa-2,4-dienedioic acid which is substituted at position 3 by a 2-carboxy-1-hydroxyethyl group (the 2Z,4E isomer; a mixture of isomers at the carbon bearing the alcoholic hydroxy group). It has been produced from trans-caffeic acid using Aspergillus niger, but the conversion rate was increased 3.5 times by using a coculture of Streptomyces coelicolor and Aspergillus niger. It has a role as an Aspergillus metabolite. It is a tricarboxylic acid, a secondary alcohol and an olefinic compound.
The molecule C(C(C(=O)O)N)SCC(C(=O)O)N is an alanine derivative in which two alanine residues are linked on their beta-carbons by a thioether linkage. It has a role as a bacterial metabolite. It is an alanine derivative, an organic sulfide and a non-proteinogenic alpha-amino acid.
The molecule [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@H](O)[C@H](O)[C@@](C)(CO)[C@]3([H])[C@H](O)C[C@@]12C)C(O)=O [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@H](O)[C@H](O)[C@@](C)(CO)[C@]3([H])[C@H](O)C[C@@]12C)C(O)=O is A pentacyclic triterpenoid that is oleanolic acid substituted by hydroxy groups at positions 2, 6 and 23. It has the role of metabolite . It has the role of antifungal agent . Its functional parent is oleanolic acid . It is also related to or classified as monocarboxylic acid , pentacyclic triterpenoid , tetrol .
The molecule [C@@]1([C@@H]([C@H]([C@@H]([C@H](C(C)C)C)O)O)C)([H])[C@]2(CC[C@]3([C@@](C[C@@H]([C@]4(CC(CC[C@@]43C)=O)[H])O)([C@@]2(CC1)[H])[H])[H])C [C@@]1([C@@H]([C@H]([C@@H]([C@H](C(C)C)C)O)O)C)([H])[C@]2(CC[C@]3([C@@](C[C@@H]([C@]4(CC(CC[C@@]43C)=O)[H])O)([C@@]2(CC1)[H])[H])[H])C is 3-dehydro-6alpha-hydroxyteasterone.     It is also related to or classified as 3-oxo steroid  . It is also related to or classified as brassinosteroid , 6alpha-hydroxy steroid , 22-hydroxy steroid , 23-hydroxy steroid .
The molecule CN(C)c1ccc(cc1Br)C1Nc2ccc3ccccc3c2C2=C1C(=O)CC(C)(C)C2 CN(C)c1ccc(cc1Br)C1Nc2ccc3ccccc3c2C2=C1C(=O)CC(C)(C)C2 is A partially hydrogenated benzophenanthridine carrying an oxo group at C-4, geminal methyl groups at C-2 and a 3-bromo-4-(dimethylamino)phenyl group at C-5. It has the role of EC 3.5.1.2 (glutaminase) inhibitor . It is also related to or classified as benzophenanthridine .
The molecule C#CCCCCCCCCCCCCCCCC(=O)O is an acetylenic fatty acid that is octadecanoi acid (stearic acid) which has been doubly dehydrogenated at positions 17 and 18 to give the corresponding alkynoic acid. It has a role as a P450 inhibitor, an EC 1.14.14.94 (leukotriene-B4 20-monooxygenase) inhibitor and an EC 1.14.15.3 (alkane 1-monooxygenase) inhibitor. It is a long-chain fatty acid, an acetylenic fatty acid, a terminal acetylenic compound and a monounsaturated fatty acid.
The molecule CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@H](NC[C@@H]([C@@H](CN(C2=O)C)OC)C)C CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@H](NC[C@@H]([C@@H](CN(C2=O)C)OC)C)C is N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-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 C([C@@H]([C@@H]([C@@H](COP(=O)([O-])[O-])O)O)O)NC1=C(C(=O)NC(=O)N1)N is dianion of 5-amino-6-(5-phosphoribitylamino)uracil arising from deprotonation of both phosphate OH groups. It has a role as a Saccharomyces cerevisiae metabolite. It is a conjugate base of a 5-amino-6-(5-phospho-D-ribitylamino)uracil.
The molecule C1=CC2=C(C=C1Cl)C(=CN2)C[C@@H](C(=O)O)N is a non-proteinogenic L-alpha-amino acid that is L-tryptophan in which the hydrogen at position 5 of the indole ring has been replaced by a chlorine. It is a non-proteinogenic L-alpha-amino acid, an organochlorine compound and a L-tryptophan derivative. It is a tautomer of a 5-chloro-L-tryptophan zwitterion.
The molecule COC(=O)CCSCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O is a glycoside that consists of alpha-D-galactosyl-(1->4)-beta-D-galactose having a 2-(2-methoxycarbonylethylthio)ethyl (CETE) moiety attached to the reducing end anomeric centre. It is a glycoside, a carbohydrate acid ester, an aliphatic sulfide, a disaccharide derivative and a methyl ester.
The molecule [H][C@]12CC=C3[C@]4([H])[C@@H](C)[C@H](C)CC[C@@]4(CC[C@@]3(C)[C@]1(C)C[C@@H](O)[C@@]1([H])[C@](C)(CO)[C@@H](O)[C@H](O)C[C@]21C)C(O)=O [H][C@]12CC=C3[C@]4([H])[C@@H](C)[C@H](C)CC[C@@]4(CC[C@@]3(C)[C@]1(C)C[C@@H](O)[C@@]1([H])[C@](C)(CO)[C@@H](O)[C@H](O)C[C@]21C)C(O)=O is A pentacyclic triterpenoid that is ursane substituted by a carboxy group at position 28 and hydroxy groups at positions 2, 3, 6 and 23 (the 2alpha,3beta,6beta stereoisomer). It has the role of antioxidant . It has the role of plant metabolite . It is also related to or classified as monocarboxylic acid , pentacyclic triterpenoid , tetrol .
The molecule C(CNC(=S)[S-])NC(=S)[S-].[NH4+].[NH4+] is a dithiocarbamate salt resulting from the formal reaction of ethylenebis(dithiocarbamic acid) with 2 mol eq. of ammonia. A water-soluble crystalline solid, it is a fungicide used to protect fruit, vegetable, and field crops against a wide spectrum of fungal diseases. Mixing amobam with zinc sulfate affords the fungicide zineb. It has a role as an antifungal agrochemical. It is an ammonium salt and a dithiocarbamate salt. It contains an ethylenebis(dithiocarbamate) and an ammonium.
The molecule CN(C)c1ccc(C=O)cc1Br CN(C)c1ccc(C=O)cc1Br is benzaldehyde substituted at the 4-position by an N,N-dimethylamino group and at C-3 by bromine. It is also related to or classified as benzaldehydes .
The molecule C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)O)O)O)OS(=O)(=O)[O-] is an organosulfate oxoanion resulting from deprotonation of the sulfate OH group of D-glucopyranose 6-sulfate; major species at pH 7.3. It is a conjugate base of a D-glucopyranose 6-sulfate.
The molecule C1[C@@]2([NH+]3CC[C@@]42[C@]5(N(C=6C4=CC=C(C6)OC)C(C[C@]7([C@@]5([C@@]1(C(=CCO7)C3)[H])[H])[H])=O)[H])[H] C1[C@@]2([NH+]3CC[C@@]42[C@]5(N(C=6C4=CC=C(C6)OC)C(C[C@]7([C@@]5([C@@]1(C(=CCO7)C3)[H])[H])[H])=O)[H])[H] is major microspecies at pH 7.3. It is a conjugate acid of alpha-colubrine . It is also related to or classified as indole alkaloid cation , ammonium ion derivative .
The molecule CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O[C@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O)O[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O[C@@H]9[C@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O is a ten-membered branched glucosamine oligosaccharide consisting of nine D-mannosyl residues and one N-acetylglucosamine residue (the latter being located at the reducing end). An intermediate glycan structure of glycosylated proteins
The molecule C(C(CC([O-])=O)=C)([O-])=O C(C(CC([O-])=O)=C)([O-])=O is A dicarboxylic acid dianion that results from the deprotonation of both of the carboxylic acid groups of itaconic acid. It has the role of Saccharomyces cerevisiae metabolite . It has the role of fungal metabolite . It has the role of human metabolite . Its functional parent is succinate(2-) . It is also related to or classified as dicarboxylic acid dianion  .
The molecule C1[C@H]([C@H](OC2=C1C(=CC(=C2[C@@H]3[C@H]([C@H](OC4=C3C(=CC5=C4[C@@H]6[C@H]([C@](O5)(OC7=CC(=CC(=C67)O)O)C8=CC(=C(C=C8)O)O)O)O)C9=CC(=C(C=C9)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O is a proanthocyanidin found in Cinnamomum cassia and Cinnamomum zeylanicum. It has a role as a cyclooxygenase 2 inhibitor and a plant metabolite.
The molecule Oc1cc(O)c2c(c1)oc1cc(O)c(O)cc1c2=O Oc1cc(O)c2c(c1)oc1cc(O)c(O)cc1c2=O is A member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1, 3, 6 and 7. Isolated from Garcinia mangostana and Maclura pomifera, it exhibits inhibitory activity against protein kinase C. It has the role of antineoplastic agent . It has the role of EC 2.7.11.13 (protein kinase C) inhibitor . It has the role of plant metabolite . It is also related to or classified as polyphenol , xanthones .
The molecule CCCCCC(=O)OC[C@H](COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCC CCCCCC(=O)OC[C@H](COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCC is A 1,2-diacyl-sn-glycero-3-phosphocholine(1+) that is the dicaproyl diester of phosphatidiylcholine. It is also related to or classified as 1,2-diacyl-sn-glycero-3-phosphocholine(1+)  .
The molecule C(=CC(=O)O)C(=C(C(=O)O)Cl)Cl is a dichloromuconic acid in which the two chloro groups are placed at positions 2 and 3. It is a conjugate acid of a 2,3-dichloromuconate(2-).
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=CC4=C(C=C3)OCO4 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=CC4=C(C=C3)OCO4 is 3-(1,3-benzodioxol-5-yl)-1-[[(3R,9R,10S)-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]-1-methylurea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule COC1=CC(=C(C(=C1)O)C(=O)CCC2=CC=CC=C2)O is a member of the class of dihydrochalcones that is dihydrochalcone substituted by hydroxy groups at positions 2' and 6' and a methoxy group at position 4' respectively. It has a role as an antiplasmodial drug and a radical scavenger. It is a member of dihydrochalcones, a polyphenol and a monomethoxybenzene. It derives from a dihydrochalcone.
The molecule C[C@@]12OO[C@@](CCC(O)=O)(c3ccccc13)c1ccccc21 C[C@@]12OO[C@@](CCC(O)=O)(c3ccccc13)c1ccccc21 is A peroxide-bridged anthracene substituted at the bridgeheads with methyl and carboxyethyl groups. It has the role of hapten . It is also related to or classified as monocarboxylic acid , organic peroxide , anthracenes .
The molecule CC(C)CN(C[C@H]1[C@H]([C@@H](N1C(=O)C)CO)C2=CC=CC=C2)C(=O)C3=CC=CC=N3 CC(C)CN(C[C@H]1[C@H]([C@@H](N1C(=O)C)CO)C2=CC=CC=C2)C(=O)C3=CC=CC=N3 is N-[[(2R,3R,4R)-1-acetyl-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-N-(2-methylpropyl)-2-pyridinecarboxamide. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule C(C[C@@H](C(=O)[O-])NC(=O)C[C@@H](C(=O)N[C@@H](CC(=O)N[C@@H](CCC[NH+]=C(N)N)C(=O)[O-])C(=O)N[C@@H](CC(=O)N[C@@H](CCC[NH+]=C(N)N)C(=O)[O-])C(=O)[O-])[NH3+])C[NH+]=C(N)N is a zwitterion derived from (beta-Asp-Arg)n. Major microspecies at pH 7.3. It is a tautomer of a cyanophycin macromolecule.
The molecule COc1cc(cc(OC)c1O)[C@@H]1[C@@H](CO)[C@H](CO)Cc2cc(OC)c(O)c(OC)c12 COc1cc(cc(OC)c1O)[C@@H]1[C@@H](CO)[C@H](CO)Cc2cc(OC)c(O)c(OC)c12 is A lignan that is tetralin substituted by a 4-hydroxy-3,5-dimethoxy group at position 4, hydroxymethyl groups at positions 2 and 3, methoxy groups at positions 5 and 7 and a hydroxy group at position 6. Isolated from Machilus robusta and Sinocalamus affinis, it exhibits antineoplastic activity. It has the role of metabolite . It has the role of antineoplastic agent . It is also related to or classified as primary alcohol  . It is also related to or classified as lignan  . It is also related to or classified as polyphenol , tetralins , dimethoxybenzene .
The molecule CCCCCCCCCCCCCCCCCCCCCC(O)CC(O)=O CCCCCCCCCCCCCCCCCCCCCC(O)CC(O)=O is A 3-hydroxy fatty acid that is the 3-hydroxy derivative of tetracosanoic (lignoceric) acid. Its functional parent is tetracosanoic acid . It is also related to or classified as 3-hydroxy fatty acid  .
The molecule O(C=1C(C(=O)NCC(O)=O)=CC=CC1)C O(C=1C(C(=O)NCC(O)=O)=CC=CC1)C is 2-{[hydroxy(2-methoxyphenyl)methylidene]amino}acetic acid. Its functional parent is N-benzoylglycine . It is also related to or classified as N-acylglycine  .
The molecule CCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC CCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC is A A 1,2-diacyl-sn-glycero-3-phosphocholine(1+) that is the dilauroyl diester of phosphatidiylcholine. It is a conjugate acid of 1,2-dilauroyl-sn-glycero-3-phosphocholine . It is also related to or classified as 1,2-diacyl-sn-glycero-3-phosphocholine(1+)  .