anonymous041/ChEBI-Augmented huggingface dataset:
The molecule [H]P([H])([H])([H])[H] [H]P([H])([H])([H])[H] is A phosphorus hydride consisting of a single pentavalent phosphorus carrying five hydrogens. The parent hydride of the phosphorane class.  It is also related to or classified as phosphoranes  . It is also related to or classified as phosphorus hydride , mononuclear parent hydride .
The molecule Clc1cc(Cl)c(Cl)c(Cl)c1 Clc1cc(Cl)c(Cl)c(Cl)c1 is A tetrachlorobenzene carrying chloro groups at positions 1, 2, 3 and 5. It is also related to or classified as tetrachlorobenzene  .
The molecule C1CC(=CN([C@@H]1O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)N is a doubly-charged nucleotide-sugar oxoanion obtained by deprotonation of the diphosphate OH groups of (R)-NADHX; major species at pH 7.3. It derives from a NADH(2-). It is a conjugate base of a (R)-NADHX.
The molecule [NH3+]C(C([O-])=O)=C(C=CC=O)C([O-])=O [NH3+]C(C([O-])=O)=C(C=CC=O)C([O-])=O is A dicarboxylic acid monoanion that is the conjugate base of 2-amino-3-(3-oxoprop-1-enyl)but-2-enedioic acid and the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is a conjugate acid of 2-amino-3-(3-oxoprop-1-enyl)but-2-enedioate . It is also related to or classified as dicarboxylic acid monoanion .
The molecule C1[C@@H](CC([C@]2([C@]1([C@@]3([C@@](CC2)([C@]4([C@](CC3)([C@@]5([C@@](CC4)(C([C@H](CC5)O)(C)C)[H])C)[H])C)C)[H])C)[H])(C)C)C C1[C@@H](CC([C@]2([C@]1([C@@]3([C@@](CC2)([C@]4([C@](CC3)([C@@]5([C@@](CC4)(C([C@H](CC5)O)(C)C)[H])C)[H])C)C)[H])C)[H])(C)C)C is A pentacyclic triterpenoid that consists of tetrahymanol carrying an additional methyl substituent at the 2beta-position. It has the role of bacterial metabolite . Its functional parent is tetrahymanol .  It is also related to or classified as secondary alcohol  . It is also related to or classified as pentacyclic triterpenoid .
The molecule C1CC2C1C3C2C4C3C5C4C(C5)CCCCCCO is a fatty alcohol that is 1-hexanol substituted by a [5]-ladderane at position 6. It is a fatty alcohol and a ladderane.
The molecule [H][C@@]1(O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O)[C@H](O)CO [H][C@@]1(O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O)[C@H](O)CO is the D-glycero-diastereomer of alpha-D-manno-heptopyranose; a key structural component of the outer cell membrane in Gram-negative bacteria, found in the conserved core oligosaccharide region. It is also related to or classified as aldoheptose  .
The molecule C[NH+](C)CCC[C@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 C[NH+](C)CCC[C@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 is A 3-[5-cyano-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-1-yl]-N,N-dimethylpropan-1-aminium resulting from the protonation of the tertiary amino group of escitalopram. It is a conjugate acid of escitalopram . It is also related to or classified as 3-[5-cyano-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-1-yl]-N,N-dimethylpropan-1-aminium  .
The molecule C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)CO)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O is a pyrimidine 2'-deoxyribonucleoside 5'-triphosphate that is 2'deoxycytidine-5'-triphosphate substituted by a hydroxymethyl group at position 5. It derives from a CTP.
The molecule [H][C@@]12CC[C@]3(C)[C@]([H])(CC[C@]4([H])[C@@]5(C)CC[C@H](O)C(C)(C)[C@]5([H])CC[C@@]34C)[C@@]1(C)CCCC2(C)C [H][C@@]12CC[C@]3(C)[C@]([H])(CC[C@]4([H])[C@@]5(C)CC[C@H](O)C(C)(C)[C@]5([H])CC[C@@]34C)[C@@]1(C)CCCC2(C)C is A pentacyclic triterpenoid having a 3beta- (21alpha-) hydroxy-substituted gammacerane structure. It is also related to or classified as pentacyclic triterpenoid .
The molecule CCCCCCC(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)O is a hydroxy fatty-acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 2-hydroxyoctanoic acid. It is a hydroxy fatty acyl-CoA and a medium-chain fatty acyl-CoA. It derives from a 2-hydroxyoctanoic acid. It is a conjugate acid of a 2-hydroxyoctanoyl-CoA(4-).
The molecule C(CC(C(=O)O)N)CNC(=O)N is the parent compound of the citrulline class consisting of ornithine having a carbamoyl group at the N(5)-position. It has a role as a hapten and a Daphnia magna metabolite. It is a conjugate acid of a citrullinate.
The molecule [H][C@@]1(O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H](O)CO [H][C@@]1(O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H](O)CO is an aldoheptose in pyranose cyclic form with L-glycero-alpha-D-manno stereochemistry. It is also related to or classified as aldoheptose  .
The molecule CN(C)CCC[C@@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 CN(C)CCC[C@@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 is A 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile that has R-configuration at the chiral centre. It is the inactive enantiomer of citalopram. It is also related to or classified as 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile  .
The molecule FC1=CC=C(C=C1)C(C(=N)O)(C=2C=CC=CC2)C3=CC=C(F)C=C3 FC1=CC=C(C=C1)C(C(=N)O)(C=2C=CC=CC2)C3=CC=C(F)C=C3 is senicapoc is an orally bioavailable inhibitor of the calcium-activated potassium channel KCa3.1 (Gardos channel; KCNN4; IK-1; SK4), with potential anti-inflammatory and immunomodulatory activities. Upon oral administration, senicapoc targets, binds to and inhibits KCa3.1. It is also related to or classified as organic molecular entity .
The molecule C1=CC2=C(C=C1O)OC3=C2C(=O)OC4=C3C=CC(=C4)O is a member of the class of coumestans that is coumestan with hydroxy substituents at positions 3 and 9. It has a role as an anti-inflammatory agent, an antioxidant and a plant metabolite. It is a member of coumestans, a delta-lactone and a polyphenol. It derives from a coumestan.
The molecule CCCS(=O)(=O)NC1=CC=C(F)C(C(=O)C2=CNC3=C2C=C(C=N3)C2=CC=C(Cl)C=C2)=C1F CCCS(=O)(=O)NC1=CC=C(F)C(C(=O)C2=CNC3=C2C=C(C=N3)C2=CC=C(Cl)C=C2)=C1F is A pyrrolopyridine that is 1H-pyrrolo[2,3-b]pyridine which is substituted at position 5 by a p-chlorophenyl group and at positions 3 by a 3-amino-2,6-difluorobenzoyl group, the amino group of which has undergone formal condensation with propane-1-sulfonic acid to give the corresponding sulfonamide. An inhibitor of BRAF and other kinases. It has the role of antineoplastic agent . It has the role of B-Raf inhibitor . It is also related to or classified as sulfonamide  . It is also related to or classified as difluorobenzene  . It is also related to or classified as pyrrolopyridine , aromatic ketone , monochlorobenzenes .
The molecule [H][C@]12OP(O)(=O)O[C@@]1([H])[C@@H](O[C@@H]2COP(O)(O)=O)n1ccc(N)nc1=O [H][C@]12OP(O)(=O)O[C@@]1([H])[C@@H](O[C@@H]2COP(O)(O)=O)n1ccc(N)nc1=O is A 2',3'-cyclic pyrimidine nucleotide that is CMP in which the hydroxy groups at the 2' and 3' positions have been converted into the corresponding cyclic phosphate. Its functional parent is cytidine 5'-monophosphate . It is also related to or classified as 2',3'-cyclic pyrimidine nucleotide , cytidine 5'-phosphate .
The molecule C(CCN)CCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O is a trisaccharide derivative consisting of an alpha-D-glucosyl residue glycosidically linked to a 5-aminopentyl group and which carries at O-2 a beta-D-glucosyl-(1->4)-alpha-D-glucosyl disaccharide unit. It is a trisaccharide derivative and a glycoside.
The molecule CC(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@@H](O)C(=O)NCCC(=O)NCCSC(=O)C[C@@H](O)C[N+](C)(C)C CC(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@@H](O)C(=O)NCCC(=O)NCCSC(=O)C[C@@H](O)C[N+](C)(C)C is an acyl-CoA oxoanion obtained from (R)-carnitinyl-CoA betaine in which three protons have been removed from the phosphate groups. It is also related to or classified as acyl-CoA oxoanion .
The molecule [H]C(CCCCCC)=C([H])CCCCCCCCCCCCCCC [H]C(CCCCCC)=C([H])CCCCCCCCCCCCCCC is A tricosene that has a double bond at position 7 (unspecified configuration). It has the role of pheromone . It has the role of animal metabolite . It is also related to or classified as tricosene .
The molecule CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=S)(O)O[C@H]3C[C@@H](O[C@@H]3COP(=S)(O)O[C@H]4C[C@@H](O[C@@H]4COP(=S)(O)O[C@H]5C[C@@H](O[C@@H]5COP(=S)(O)O[C@H]6C[C@@H](O[C@@H]6COP(=S)(O)O[C@H]7C[C@@H](O[C@@H]7COP(=S)(O)O[C@H]8C[C@@H](O[C@@H]8COP(=S)(O)O[C@H]9C[C@@H](O[C@@H]9COP(=S)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=S)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=S)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O[C@H]1C[C@@H](O[C@@H]1COP(=S)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=S)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=S)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=S)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=S)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=S)(O)O[C@H]1C[C@@H](O[C@@H]1CO)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)S)N1C=NC2=C(N=CN=C21)N)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C(N=CN=C21)N)N1C=CC(=NC1=O)N)OP(=S)(O)O is a phosphorothioate oligonucleotide consisting of four deoxyguanosine, six deoxycytidine, four deoxyadenosine and four thymidine residues connected by 3'->5' phosphorothioate linkages in the sequence A-G-C-C-G-C-G-A-C-T-T-C-T-A-G-A-C-T. It has a role as an antigen and an antisense oligonucleotide.
The molecule CC(C)C(=O)CC(O)=O CC(C)C(=O)CC(O)=O is A branched-chain fatty acid that is 4-methylpentanoic acid carrying an oxo substituent at C-3. Its functional parent is valeric acid . It is a conjugate acid of 4-methyl-3-oxopentanoate . It is also related to or classified as 3-oxo fatty acid , branched-chain fatty acid .
The molecule [H][C@@]12CC[C@]3(C)[C@]([H])(CC[C@]4([H])[C@@]5(C)CCCC(C)(C)[C@]5([H])CC[C@@]34C)[C@@]1(C)CCCC2(C)C [H][C@@]12CC[C@]3(C)[C@]([H])(CC[C@]4([H])[C@@]5(C)CCCC(C)(C)[C@]5([H])CC[C@@]34C)[C@@]1(C)CCCC2(C)C is gammacerane. It is also related to or classified as triterpene  . It is also related to or classified as terpenoid fundamental parent .
The molecule OC(=O)\C=C/C(O)=O.C[C@@H](CN1CCC(CC2=CC=CC=C2)CC1)[C@@H](O)C1=CC=C(O)C=C1 OC(=O)\C=C/C(O)=O.C[C@@H](CN1CCC(CC2=CC=CC=C2)CC1)[C@@H](O)C1=CC=C(O)C=C1 is the maleic acid salt of Ro 25-6981. It is a potent and selective antagonist of GluN2B-containing NMDA receptors. It has the role of antidepressant . It has the role of anticonvulsant . It has the role of NMDA receptor antagonist . It has the role of neuroprotective agent . It is also related to or classified as maleate salt .
The molecule CCCCCCCC/C=C\\CCCCCCC[C@H](CC(=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)O is a 3-hydroxy fatty acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (3R,11Z)-3-hydroxyicosenoyl-CoA; major species at pH 7.3. It is a (R)-3-hydroxyacyl-CoA(4-) and a 3-hydroxy fatty acyl-CoA(4-). It is a conjugate base of a (3R,11Z)-3-hydroxyicosenoyl-CoA.
The molecule O=C1OCC(C(=O)OC[C@@]2(O)[C@H]3C(=O)OCC(=C[C@@H]3[C@@H](C(C)C)CC2)C(=O)O)=C[C@H]4[C@H]1[C@@](O)(CC[C@@H]4C(C)C)COC(=O)/C(=C/[C@@H]5[C@@H](C(C)C)CC[C@@]6([C@H]5C(=O)OC6)O)/CO O=C1OCC(C(=O)OC[C@@]2(O)[C@H]3C(=O)OCC(=C[C@@H]3[C@@H](C(C)C)CC2)C(=O)O)=C[C@H]4[C@H]1[C@@](O)(CC[C@@H]4C(C)C)COC(=O)/C(=C/[C@@H]5[C@@H](C(C)C)CC[C@@]6([C@H]5C(=O)OC6)O)/CO is Trivirensol C. Its functional parent is pentacarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule CCCCC(C)[NH3+] CCCCC(C)[NH3+] is A primary aliphatic ammonium ion that is the conjugate acid of 2-hexanamine resulting from the protonation of the amino group; Major species at pH 7.3. It is a conjugate acid of 2-hexanamine . It is also related to or classified as primary aliphatic ammonium ion  .
The molecule [NH3+]CCC[NH2+]CCCC[NH2+]CCC=O [NH3+]CCC[NH2+]CCCC[NH2+]CCC=O is major microspecies at pH 7.3. Its functional parent is spermine(4+) . It is also related to or classified as aldehyde  .
The molecule C1CCN(CC1)CCC(C2CCCC2)(C3=CC=CC=C3)O.Cl is the hydrochloride salt of cycrimine. A central anticholinergic, it is used as its hydrochloride salt in the management and treatment of Parkinson's disease. It has a role as a muscarinic antagonist and an antiparkinson drug. It contains a cycrimine.
The molecule C[NH+](C)CCC[C@@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 C[NH+](C)CCC[C@@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 is A 3-[5-cyano-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-1-yl]-N,N-dimethylpropan-1-aminium resulting from the protonation of the tertiary amino group of (R)-citalopram. It is a conjugate acid of (R)-citalopram . It is also related to or classified as 3-[5-cyano-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-1-yl]-N,N-dimethylpropan-1-aminium  .
The molecule CCCCCCCC/C=C\\CCCCCCCC(=O)O[C@@H](CO)COP(=O)(O)OC[C@H](CO)O is a member of the class of glycerophosphoglycerols obtained by formal condensation of the carboxy group of oleic acid with one of the secondary hydroxy groups of (S,S)-glycero-1-phospho-1'-glycerol It derives from an oleic acid. It is a conjugate acid of a (S,S)-2-oleoylglycero-1-phospho-1'-glycerol(1-). It is an enantiomer of a (R,R)-2-oleoylglycero-1-phospho-1'-glycerol.
The molecule C=1(C(CO)[NH3+])C=CC=CC1 C=1(C(CO)[NH3+])C=CC=CC1 is 2-hydroxy-1-phenylethan-1-aminium. It is also related to or classified as primary alcohol  . It is also related to or classified as primary ammonium ion  .
The molecule CNCCC(Oc1cccc2ccccc12)c1cccs1 CNCCC(Oc1cccc2ccccc12)c1cccs1 is duloxetine. It has the role of EC 3.4.21.26 (prolyl oligopeptidase) inhibitor . It is also related to or classified as thiophenes .
The molecule FC1(F)CCN(C=2N=C3C=C(OCCCN4CCCC4)C(OC)=CC3=C(N2)NC5CCN(CC5)C(C)C)CC1 FC1(F)CCN(C=2N=C3C=C(OCCCN4CCCC4)C(OC)=CC3=C(N2)NC5CCN(CC5)C(C)C)CC1 is A member of the class of quinazolines that is quinazoline substituted by 4,4-difluoropiperidin-1-yl, [1-(propan-2-yl)piperidin-4-yl]amino, methoxy, and 3-(pyrrolidin-1-yl)propoxy groups at positions 2, 4, 6 and 7, respectively. It is a potent inhibitor of histone methyltransferases G9a and GLP (IC50 = <2.5 nM). It has the role of antineoplastic agent . It has the role of apoptosis inducer .  It is also related to or classified as organofluorine compound  . It is also related to or classified as aromatic ether , pyrrolidines , quinazolines , aminopiperidine , secondary amino compound , tertiary amino compound .
The molecule CCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCCCC/C=C\\CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC is an N-oleoylphosphatidylethanolamine(1-) in which the acyl groups at positions 1 and 2 are both specified as heptadecanoyl. It derives from a margarate and an oleate. It is a conjugate base of a N-oleoyl-1,2-diheptadecanoyl-sn-glycero-3-phosphoethanolamine.
The molecule C(CCO)C(C)[NH3+] C(CCO)C(C)[NH3+] is 5-hydroxypentan-2-aminium. It is also related to or classified as primary alcohol  . It is also related to or classified as primary ammonium ion  .
The molecule [H][C@]12CC[C@@]3([H])[C@]4([H])CC[C@H](O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@H](O)C2 [H][C@]12CC[C@@]3([H])[C@]4([H])CC[C@H](O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@H](O)C2 is 5beta-androstane-3beta,17beta-diol. It is also related to or classified as androstane-3,17-diol  . It is also related to or classified as 17beta-hydroxy steroid  . It is also related to or classified as 3beta-hydroxy steroid  .
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)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@@]3(C[C@@H]([C@H]([C@@H](O3)[C@@H]([C@@H](CO)O)O)NC(=O)C)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@@]5(C[C@@H]([C@H]([C@@H](O5)[C@@H]([C@@H](CO)O)O)NC(=O)C)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C(=O)O)O)O)O)C(=O)O)O)O)O is an amino hexasaccharide made up of three units of alpha-D-Glcp-(1->4)-alpha-D-NeupAc, joined together by glycosidic linkages between position 2 of the N-acetylneuraminyl residues and position 6 of the glucosyl residues.
The molecule O1C([C@@H](O)[C@H](OC(=O)/C=C/C2=CC=C(O)C=C2)C(O)[C@@H]1OC=3C=C4OC(CC(=O)C4=C(O)C3)C5=CC=C(O)C=C5)COC(=O)/C=C/C6=CC=C(O)C=C6 O1C([C@@H](O)[C@H](OC(=O)/C=C/C2=CC=C(O)C=C2)C(O)[C@@H]1OC=3C=C4OC(CC(=O)C4=C(O)C3)C5=CC=C(O)C=C5)COC(=O)/C=C/C6=CC=C(O)C=C6 is Prunin 3'',6''-di-p-coumarate. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule CC(=O)CCCO CC(=O)CCCO is A methyl ketone that is pentan-2-one carrying a hydroxy group at position 5. It has the role of bacterial metabolite . It is also related to or classified as primary alcohol  . It is also related to or classified as pentanone , methyl ketone .
The molecule C1[C@@H]2CN(CN2C3=C(N1)N=C(NC3=O)N)C4=CC=C(C=C4)C(=O)N[C@@H](CCC(=O)O)C(=O)O is the (6R)-stereoisomer of 5,10-methylenetetrahydrofolic acid. It has a role as an Escherichia coli metabolite, a mouse metabolite and a cofactor. It is a conjugate acid of a (6R)-5,10-methylenetetrahydrofolate(2-).
The molecule C1(=CC(=C(C(=C1)O)CCCCCC)O)CCCCCCC=O C1(=CC(=C(C(=C1)O)CCCCCC)O)CCCCCCC=O is A dialkylresorcinol where the alkyl groups at positions 2 and 5 are hexyl and 7-oxoheptyl respectively. It is also related to or classified as resorcinols .
The molecule C1[C@@H](CC([C@]2([C@]1([C@@]3([C@@](CC2)([C@]4([C@@](CC3)([H])[C@]5(CCC([C@]5([H])CC4)=C(C)C)C)C)C)[H])C)[H])(C)C)C C1[C@@H](CC([C@]2([C@]1([C@@]3([C@@](CC2)([C@]4([C@@](CC3)([H])[C@]5(CCC([C@]5([H])CC4)=C(C)C)C)C)C)[H])C)[H])(C)C)C is A  triterpenoid that consists of hop-21-ene carrying an additional methyl substituent at the 2beta-position. Its functional parent is hop-21(22)-ene . It is also related to or classified as triterpenoid  .
The molecule C/C(=C/1\\C(=O)[C@@H]2[C@@H]3[C@@H](CC4=C5C3=CNC5=CC=C4)C(N2C1=O)(C)C)/O is a member of alpha-cyclopiazonic acids. It is a conjugate acid of an alpha-cyclopiazonate. It is a tautomer of a (6aR,11aS,11bR)-10-acetyl-11-hydroxy-7,7-dimethyl-2,6,6a,7,11a,11b-hexahydro-9H-pyrrolo[1',2':2,3]isoindolo[4,5,6-cd]indol-9-one.
The molecule C1CCC([C@]2([C@]1([C@@]3([C@@](CC2)([C@]4([C@@](CC3)([H])[C@]5(CCC([C@]5([H])CC4)=C(C)C)C)C)C)[H])C)[H])(C)C C1CCC([C@]2([C@]1([C@@]3([C@@](CC2)([C@]4([C@@](CC3)([H])[C@]5(CCC([C@]5([H])CC4)=C(C)C)C)C)C)[H])C)[H])(C)C is A triterpene consisting of hopane having a C=C double bond at the 21-position. It has the role of bacterial metabolite . It is also related to or classified as triterpene  .
The molecule C1(=CC(=C(C(=C1)O)CCCCCC)O)CCCCCCC([O-])=O C1(=CC(=C(C(=C1)O)CCCCCC)O)CCCCCCC([O-])=O is A dialkylresorcinol where the alkyl groups at positions 2 and 5 are hexyl and 7-carboxyheptyl respectively. It is also related to or classified as resorcinols .
The molecule CCCCC(=O)c1ccccc1 CCCCC(=O)c1ccccc1 is an aromatic ketone that consists of benzene substituted by a pentanoyl group. It has the role of volatile oil component . It has the role of plant metabolite . It is also related to or classified as aromatic ketone .
The molecule C1=CC=C(C=C1)C(=O)CO is a monohydroxyacetophenone that is acetophenone in which one of the methyl hydrogens has been replaced by a hydroxy group. It is a primary alcohol, a primary alpha-hydroxy ketone and a monohydroxyacetophenone.
The molecule O1C2=C(C=3C(=CC=CC3)[N+](=C2C)[O-])C=C[C@@]1(CCC=C(CCC=C(C)C)C)C O1C2=C(C=3C(=CC=CC3)[N+](=C2C)[O-])C=C[C@@]1(CCC=C(CCC=C(C)C)C)C is Aurachin F. It is also related to or classified as organic heterotricyclic compound , organonitrogen heterocyclic compound , oxacycle .
The molecule C1(=CC(=C(C(=C1)O)CCCCCC)O)CCCCCCCO C1(=CC(=C(C(=C1)O)CCCCCC)O)CCCCCCCO is A dialkylresorcinol where the alkyl groups at positions 2 and 5 are hexyl and 7-hydroxyheptyl respectively. It is also related to or classified as resorcinols .
The molecule OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2[C@H](O)CNC=[NH+]c12 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2[C@H](O)CNC=[NH+]c12 is the conjugate acid of coformycin arising from protonation of the imine nitrogen. It is a conjugate acid of coformycin . It is also related to or classified as organic cation .
The molecule COC1=C(C=CC(=C1)C2=COC3=C(C2=O)C=CC(=C3)O)O is a member of the class of 7-hydroxyisoflavones that is 7,4'-dihydroxyisoflavone substituted by a methoxy group at position 3'. It is isolated from the heart woods of Maackia amurensis subsp buergeri and Dalbergia louveli and exhibits antiplasmodial ativity. It has a role as a metabolite and an antiplasmodial drug. It is a methoxyisoflavone and a member of 7-hydroxyisoflavones.
The molecule [C@H]([C@@H](/C=C/CCCCCCCCCCC)O)(NC(CCCCCCCCCCCCCCCCCCCCC)=O)CO[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO [C@H]([C@@H](/C=C/CCCCCCCCCCC)O)(NC(CCCCCCCCCCCCCCCCCCCCC)=O)CO[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO is A galactosylceramide obtained by formal condensation of the carboxy group of docosanoic acid with the amino group of beta-D-galactosyl-(1<->1')-hexadecasphingosine. It has the role of marine metabolite . Its functional parent is docosanoic acid . Its functional parent is hexadecasphing-4-enine . It is also related to or classified as galactosylceramide  .
The molecule C1(=CC(=C(C(=C1)O)CCCCCC)O)CCCCCCC C1(=CC(=C(C(=C1)O)CCCCCC)O)CCCCCCC is A dialkylresorcinol where the alkyl groups at positions 2 and 5 are hexyl and heptyl respectively. It is also related to or classified as resorcinols .
The molecule C1CC(C2=CC=CC=C2C1)C3=NCCN3.Cl is the hydrochloride salt of tetryzoline. It is used as a nasal decongestant. It has a role as a sympathomimetic agent, a vasoconstrictor agent and a nasal decongestant. It contains a tetryzoline(1+).
The molecule CC(=CCC1=C(C(=CC(=C1)C2=COC3=C(C2=O)C=CC(=C3)O)O)OC)C is a member of the class of 7-hydroxyisoflavones in which isoflavone is substituted by hydroxy groups at the 7 and 3' positions, a methoxy group at the 4' position and a prenyl group at position 5'. Isolated from the stem wood of Erythrina latissima, it exhibits antimicrobial and radical scavenging activities. It has a role as a metabolite, an antimicrobial agent and a radical scavenger. It is a member of 7-hydroxyisoflavones and a member of 4'-methoxyisoflavones.
The molecule C1(=CC(=C(C(=C1)O)CCCCCC)O)CCCCCO C1(=CC(=C(C(=C1)O)CCCCCC)O)CCCCCO is A dialkylresorcinol where the alkyl groups at positions 2 and 5 are hexyl and 5-hydroxypentyl respectively. It is also related to or classified as resorcinols .
The molecule c1ccc2c(c1)ncc1nc[nH]c21 c1ccc2c(c1)ncc1nc[nH]c21 is 1H-imidazo[4,5-c]quinoline. It is also related to or classified as mancude organic heterotricyclic parent , imidazoquinoline .
The molecule CCN(CC)CCCC(C)NC1=NC(=CC(=N1)NC2=CC3=C(C=C(N=C3C=C2)C)N)C.Cl.Cl.Cl is a hydrochloride resulting from the formal reaction of NSC 23766 with 3 mol eq. of hydrogen chloride. An inhibitor of the signalling G-protein known as RAC1 (Ras-related C3 botulinum toxin substrate 1). It has a role as an EC 3.6.5.2 (small monomeric GTPase) inhibitor, an antiviral agent, an apoptosis inducer and a muscarinic antagonist. It contains a NSC 23766.
The molecule [O-]C(=O)\C=C1OC(=O)C(Cl)=C\1 [O-]C(=O)\C=C1OC(=O)C(Cl)=C\1 is the conjugate base of cis-2-chloro-4-carboxymethylenebut-2-en-1,4-olide. It is also related to or classified as monocarboxylic acid anion  .
The molecule C1(=CC(=C(C(=C1)O)CCCCCC)O)CCCCC C1(=CC(=C(C(=C1)O)CCCCCC)O)CCCCC is A dialkylresorcinol where the alkyl groups at positions 2 and 5 are hexyl and pentyl respectively. It is also related to or classified as resorcinols .
The molecule OC[C@H](O)COP([O-])([O-])=O OC[C@H](O)COP([O-])([O-])=O is A glycerol 1-phosphate(2-) that is the dianion of sn-glycerol 1-phosphate arising from deprotonation of both phosphate OH groups. It has the role of archaeal metabolite . It is also related to or classified as glycerol 1-phosphate(2-)  .
The molecule [Cl-].Nc1ccc2nc3ccc(N)cc3[n+](-c3ccccc3)c2c1 [Cl-].Nc1ccc2nc3ccc(N)cc3[n+](-c3ccccc3)c2c1 is an organic chloride salt having 3,7-diamino-5-phenylphenazin-5-ium as the counterion. It is commonly used for staining Gram negative bacteria red in smears to contrast with the blue Gram positive organisms. It has the role of photosensitizing agent . It has the role of fluorochrome . It has the role of histological dye . It is also related to or classified as organic chloride salt .