anonymous041/ChEBI-Augmented huggingface dataset:
The molecule [H]C(=CC(=O)O[C@H]1[C@H](O)C[C@@](O)(C[C@H]1O)C(O)=O)C1=CC=C(O)C=C1 [H]C(=CC(=O)O[C@H]1[C@H](O)C[C@@](O)(C[C@H]1O)C(O)=O)C1=CC=C(O)C=C1 is A cinnamate ester obtained by formal condensation of the carboxy group of 4-coumaric acid with the 4-hydroxy group of (-)-quinic acid. It has the role of plant metabolite . Its functional parent is (-)-quinic acid . Its functional parent is 4-coumaric acid . It is also related to or classified as cinnamate ester , cyclitol carboxylic acid .
The molecule CN1CC[C@H]2CC[C@@H]([C@H](O2)COC3=C(C=C(C=C3)C#N)C(=O)N(CCCC1=O)C)OC CN1CC[C@H]2CC[C@@H]([C@H](O2)COC3=C(C=C(C=C3)C#N)C(=O)N(CCCC1=O)C)OC is LSM-39790. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC1(C)CN2C(CC(O)=O)=C(C(=C2C1)C1=CC=CC=C1)C1=CC=C(Cl)C=C1 CC1(C)CN2C(CC(O)=O)=C(C(=C2C1)C1=CC=CC=C1)C1=CC=C(Cl)C=C1 is A member of the class of pyrrolizines that is 2,3-dihydro-1H-pyrrolizine substituted by methyl, methyl, carboxymethyl, 4-chlorophenyl, and phenyl groups at positions 2, 2, 5, 6, and 7, respectively. It is a dual inhibitor of cyclooxygenase isoforms and 5-lipoxygenase and is under development for treatment of osteoarthritis. It has the role of non-steroidal anti-inflammatory drug . It has the role of analgesic . It has the role of EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor . It has the role of antineoplastic agent . It has the role of anticonvulsant . It has the role of neuroprotective agent . It has the role of EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor . It is also related to or classified as monocarboxylic acid , pyrrolizines , monochlorobenzenes .
The molecule [O-][N+](=O)[N+]([O-])=O [O-][N+](=O)[N+]([O-])=O is dinitrogen tetraoxide. It has the role of oxidising agent . It is also related to or classified as nitrogen oxide .
The molecule N=1OC(=C(C=2C=CC3=C(N=C(N3CCN4CCOCC4)CCC5=CC=C(OCCCN(C)C)C=C5)C2)C1C)C N=1OC(=C(C=2C=CC3=C(N=C(N3CCN4CCOCC4)CCC5=CC=C(OCCCN(C)C)C=C5)C2)C1C)C is iSOX DUAL is a dual CBP/p300 and BRD4 bromodomain inhibitor (IC50 values are 0.65 and 1.5 uM for CBP and BRD4 respectively). Downregulates IL-6, IL-1b and IFN-b in macrophages. It is also related to or classified as organic molecular entity .
The molecule [H][C@@]12CC[C@H](C)[C@H](C)[C@@]1(C)CCCC2(C)C [H][C@@]12CC[C@H](C)[C@H](C)[C@@]1(C)CCCC2(C)C is drimane. It is also related to or classified as sesquiterpene  . It is also related to or classified as terpenoid fundamental parent .
The molecule C[C@H](C1=C(C=C(C=C1)Cl)Cl)NC(=O)C(C#N)C(C)(C)C is a diastereoisomeric mixture comprising equimolar amounts of (1R,2S)- and (1R,2R)-diclocymet. A fungicide used for the control of rice blast in paddy fields. It also shows some activity against paddy field insect pests including rice water weevil and rice-stem borer. Diclocymet is moderately toxic to fish. It has a role as a xenobiotic, an insecticide, a melanin synthesis inhibitor and an antifungal agrochemical. It is a diastereoisomeric mixture and an amide fungicide. It contains a (1R,2S)-diclocymet and a (1R,2R)-diclocymet.
The molecule CCNC1=CC2=C(C=C1C)C(=C3C=C(C(=[NH+]CC)C=C3O2)C)CCC(=O)O is the cationic form of a fluorescent dye derived from a 3,6-bis(ethylamino)xanthene. It has a role as a fluorochrome. It is a xanthene dye and a monocarboxylic acid.
The molecule C[NH+]1CCC[C@H]1c1cccnc1 C[NH+]1CCC[C@H]1c1cccnc1 is the conjugate acid of (S)-nicotine arising from selective protonation of the tertiary amino group; major species at pH 7.3. It has the role of plant metabolite . It is a conjugate acid of (S)-nicotine . It is also related to or classified as ammonium ion derivative .
The molecule CC(=O)C1=C(C)OC(C)=C1 CC(=O)C1=C(C)OC(C)=C1 is A member of the class of furans that is furan substituted by methyl, acetyl and methyl groups at positions 2, 3 and 5, respectively. It has the role of mutagen . It has the role of flavouring agent . It has the role of plant metabolite . It is also related to or classified as furans , methyl ketone , aromatic ketone .
The molecule C12=C(NC(=O)N1)N=C(NC2=O)N is an oxopurine that is guanine in which the hydrogen at position 8 is replaced by an oxo group and in which the nitrogens at positions 7 and 9 each bear a hydrogen. It derives from a guanine.
The molecule Cc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C Cc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C is pirinixic acid. Its functional parent is acetic acid .  It is also related to or classified as organochlorine compound  . It is also related to or classified as aryl sulfide , pyrimidines .
The molecule [H][C@@]12CC=C(C)[C@H](CO)[C@@]1(C)CCCC2(C)C [H][C@@]12CC=C(C)[C@H](CO)[C@@]1(C)CCCC2(C)C is A sesquiterpenoid primary alcohol, being methanol in which one of the methyl hydrogens is substituted by a 2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl group. It is also related to or classified as homoallylic alcohol  .  It is also related to or classified as primary alcohol  . It is also related to or classified as octahydronaphthalenes , sesquiterpenoid .
The molecule C1=C(NC=N1)CCNC(=O)CC[C@@H](C(=O)O)N is histamine having a gamma-L-glutamyl group attached to the side-chain nitrogen. It derives from a histamine. It is a tautomer of a N(alpha)-gamma-L-glutamylhistamine zwitterion.
The molecule [O]SO [O]SO is hydroxidooxidosulfur(.). It is a conjugate acid of dioxidosulfate(.1-) . It is also related to or classified as sulfur oxoacid , inorganic radical .
The molecule ClCC(O)C(O)C#CC#CCC1OC1CCCCCCC ClCC(O)C(O)C#CC#CCC1OC1CCCCCCC is Chloropanaxydiol. It is also related to or classified as alcohol  . It is also related to or classified as organochlorine compound  .
The molecule C[N+](C)(C)CC(O)O C[N+](C)(C)CC(O)O is A quaternary ammonium ion that is the hydrate of betaine aldehyde. It is also related to or classified as quaternary ammonium ion  . It is also related to or classified as aldehyde hydrate  .
The molecule CC(C)C(C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O)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-hydroxyisovaleric acid. It is a 2-hydroxy-3-methylacyl-CoA, a hydroxy fatty acyl-CoA and a short-chain fatty acyl-CoA. It derives from a 2-hydroxy-3-methylbutyric acid. It is a conjugate acid of a 2-hydroxyisovaleryl-CoA(4-).
The molecule N[C@H](CC1=CC=C(CP(O)(O)=O)C=C1)C(O)=O N[C@H](CC1=CC=C(CP(O)(O)=O)C=C1)C(O)=O is A 4-(phosphonomethyl)phenylalanine that has D-configuration. It is also related to or classified as 4-(phosphonomethyl)phenylalanine  . It is also related to or classified as D-phenylalanine derivative .
The molecule CN1CCC[C@@H]1c1cccnc1 CN1CCC[C@@H]1c1cccnc1 is A 3-(1-methylpyrrolidin-2-yl)pyridine in which the chiral centre has R-configuration. It is also related to or classified as 3-(1-methylpyrrolidin-2-yl)pyridine  .
The molecule [I-].C[n+]1ccccc1\C=N\O [I-].C[n+]1ccccc1\C=N\O is an organic iodide salt that has pralidoxime as the cation. It has the role of cholinergic drug . It has the role of cholinesterase reactivator . It is also related to or classified as pyridinium salt , organic iodide salt .
The molecule CC(C)C(O)C(O)=O CC(C)C(O)C(O)=O is A valine derivative that is valine in which the amino group has been replaced by a hydroxy group. It has the role of human metabolite . Its functional parent is isovaleric acid . It is a conjugate acid of 2-hydroxy-3-methylbutyrate . It is also related to or classified as 2-hydroxy monocarboxylic acid .
The molecule C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O)NC(=O)C)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O[C@H]9[C@@H]([C@H]([C@H]([C@H](O9)CO)O)O)O)NC(=O)C)O)O)NC(=O)C)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)C)O)O)NC(=O)C)O)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)C)O)O)NC(=O)C)O)O)NC(=O)C)O)O)O is a branched amino oligosaccharide (octadecasaccharide) consisting of a linear trisaccharide unit of beta-D-mannose, N-acetyl-beta-D-glucosamine and N-acetyl-beta-D-glucosamine residues, connected by (1->3) linkages, to the beta-D-mannose residue of which are linked (1->3) and (1->6) alpha-D-mannose residues, the one at O-2 being substituted at O-2 by a beta-D-galactosyl-(1->3)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl tetrasaccharide unit and the one at O-6 being substituted also at both O-2 and O-6 by beta-D-galactosyl-(1->3)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl tetrasaccharide units, while to the N-acetyl-D-glucosamine residue at the reducing end is linked (1->6) an alpha-L-fucose residue. It is an amino oligosaccharide and a glucosamine oligosaccharide.
The molecule [H]C#[N+][O-] [H]C#[N+][O-] is A nitrile oxide resulting from the oxidation of hydrogen cyanide. It is a conjugate acid of fulminate . It is also related to or classified as hydracid  . It is also related to or classified as nitrile oxide  . It is also related to or classified as one-carbon compound .
The molecule C1[C@H]2[C@@H]([C@H](N2C(=O)CN1)CO)C3=CC=C(C=C3)Br C1[C@H]2[C@@H]([C@H](N2C(=O)CN1)CO)C3=CC=C(C=C3)Br is (6R,7S,8S)-7-(4-bromophenyl)-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule COC1=CC=C(C=C1OC)[C@H](C)C(=O)C1=CC=C2OC(C)(C)C=CC2=C1OC COC1=CC=C(C=C1OC)[C@H](C)C(=O)C1=CC=C2OC(C)(C)C=CC2=C1OC is A chromene that is 2,2-dimethyl-2H-chromene substituted by methoxy and (2S)-2-(3,4-dimethoxyphenyl)propanoyl groups at positions 5 and 6, respectively. It is a Hsp90 inhibitor that prevents hypoxia-mediated retinal neovascularization and could potentially be used as a treatment for diabetic retinopathy. It has the role of Hsp90 inhibitor . It is also related to or classified as chromenes , dimethoxybenzene , aromatic ketone , aromatic ether .
The molecule CN1CCC(=C2C3=C(C(=O)CC4=CC=CC=C42)SC=C3)CC1 is an organic heterotricyclic compound that is 4,9-dihydro-10H-benzo[4,5]cyclohepta[1,2-b]thiophen-10-one which is substituted at position 4 by a 1-methylpiperidin-4-ylidene group. A blocker of histamine H1 receptors with a stabilising action on mast cells, it is used (usually as its hydrogen fumarate salt) for the treatment of asthma, where it may take several weeks to exert its full effect. It has a role as a H1-receptor antagonist and an anti-asthmatic drug. It is an organosulfur heterocyclic compound, an organic heterotricyclic compound, a cyclic ketone, a member of piperidines, an olefinic compound and a tertiary amino compound. It is a conjugate base of a ketotifen(1+).
The molecule CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H]([NH3+])COP([O-])(=O)OCC[N+](C)(C)C CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H]([NH3+])COP([O-])(=O)OCC[N+](C)(C)C is an ammonium ion that is the conjugate acid of sphingosylphosphocholine, obtained by protonation of the amino group. Major species at pH 7.3. It is a conjugate acid of sphingosine-1-phosphocholine . It is also related to or classified as sphingoid-1-phosphocholine(1+)  . It is also related to or classified as ammonium ion derivative .
The molecule CCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCC is a 1,2-diacyl-sn-glycerol 3-phosphate in which the phosphatidyl acyl groups at postions 1 and 2 are specified as heptadecanoyl and myristoyl respectively. It is a 1,2-diacyl-sn-glycerol 3-phosphate and a tetradecanoate ester. It derives from a heptadecanoic acid. It is a conjugate acid of a 1-heptadecanoyl-2-myristoyl-sn-glycero-3-phosphate(2-).
The molecule [H]C(=O)C[N+](C)(C)C [H]C(=O)C[N+](C)(C)C is A quaternary ammonium ion that is nitrogen substituted by three methyl groups and a 2-oxoethyl group. It is an intermediate in the metabolism of amino acids like glycine, serine and threonine. It has the role of mouse metabolite . It has the role of plant metabolite . It has the role of Aspergillus metabolite . It has the role of Escherichia coli metabolite . It has the role of human metabolite . It is also related to or classified as quaternary ammonium ion  .
The molecule C(=C(/C=C(/C(=O)O)\\O)\\C(=O)O)\\C(=O)O is a tricarboxylic acid that is buta-1,3-diene-1,2,4-tricarboxylic acid substituted by a hydroxy group at position 4. It is a tricarboxylic acid, a hydroxy carboxylic acid and an enol. It is a conjugate acid of a 4-carboxylato-2-hydroxyhexa-2,4-dienedioate(3-).
The molecule [H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)C(=O)[C@H](O)C[C@@]21[H] [H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)C(=O)[C@H](O)C[C@@]21[H] is 16alpha-hydroxydehydroepiandrosterone. It has the role of mouse metabolite . It has the role of human metabolite . It is also related to or classified as 16alpha-hydroxy steroid  . It is also related to or classified as 3beta-hydroxy-Delta(5)-steroid  . It is also related to or classified as 17-oxo steroid  . It is also related to or classified as secondary alpha-hydroxy ketone  . It is also related to or classified as androstanoid .
The molecule O=C(NN)C1=CC=C(N)C=C1 O=C(NN)C1=CC=C(N)C=C1 is 4-aminobenzohydrazide. It has the role of EC 1.11.2.2 (myeloperoxidase) inhibitor . It is also related to or classified as aminobenzoic acid .
The molecule C1CNCC(C2=CC(=C(C(=C21)Cl)O)O)C3=CC=CC=C3.Br C1CNCC(C2=CC(=C(C(=C21)Cl)O)O)C3=CC=CC=C3.Br is sKF-81297 is a dopamine D1-like receptor agonist. It is also related to or classified as organic molecular entity .
The molecule [Na+].[Na+].[O-]C(=O)C[NH+](CC[NH+](CC([O-])=O)CC([O-])=O)CC([O-])=O [Na+].[Na+].[O-]C(=O)C[NH+](CC[NH+](CC([O-])=O)CC([O-])=O)CC([O-])=O is an organic sodium salt that is the anhydrous form of the disodium salt of ethylenediaminetetraacetic acid (EDTA). It has the role of chelator . It is also related to or classified as organic sodium salt .
The molecule C[N+](C)(C)CC([O-])=O C[N+](C)(C)CC([O-])=O is the amino acid betaine derived from glycine. It has the role of fundamental metabolite . It is also related to or classified as amino-acid betaine , glycine derivative .
The molecule CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@H](CO)O)O is a 1-acyl-sn-glycero 3-phospho-(1'-sn-glycerol)(1-) in which the acyl group is specified as 9Z-octadecenoyl; major species at pH 7.3. It is a conjugate base of a 1-(9Z-octadecenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol).
The molecule O(C(=O)C(C)(C)C(=O)C)C O(C(=O)C(C)(C)C(=O)C)C is Butanoic acid, 2,2-dimethyl-3-oxo-, methyl ester. It is also related to or classified as oxo carboxylic acid .
The molecule C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl)[C@H](C)CO)C)CN(C)C(=O)CCC(F)(F)F C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl)[C@H](C)CO)C)CN(C)C(=O)CCC(F)(F)F is N-[[(3S,9S,10R)-16-[(4-chlorophenyl)sulfonylamino]-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]-4,4,4-trifluoro-N-methylbutanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C1CC([C@]2([C@](C1)(C3=C(CC2)C=C(C(=C3O)O)C(C)C)C(=O)O)[H])(C)C C1CC([C@]2([C@](C1)(C3=C(CC2)C=C(C(=C3O)O)C(C)C)C(=O)O)[H])(C)C is an abietane diterpenoid that is abieta-8,11,13-triene substituted by hydroxy groups at positions 11 and 12 and a carboxy group at position 20. It is isolated from rosemary (Rosmarinus officinalis) and common sage (Salvia officinalis) and exhibits anti-angiogenic, antineoplastic, antioxidant and anti-HIV activity. It has the role of antioxidant . It has the role of antineoplastic agent . It has the role of HIV protease inhibitor . It has the role of angiogenesis modulating agent . It has the role of food preservative . It has the role of anti-inflammatory agent . It has the role of apoptosis inducer . It has the role of plant metabolite . It is a conjugate acid of carnosate .  It is also related to or classified as catechols  . It is also related to or classified as monocarboxylic acid , abietane diterpenoid , carbotricyclic compound .
The molecule C[C@@H]1C[C@H]2[C@@H](C[C@H]3[C@H](O2)[C@H]([C@@H]([C@H]4[C@H](O3)[C@H]([C@@H]([C@]5(O4)C[C@@H](CO5)O)C)C)O)C)O[C@H]6C[C@H]([C@](O[C@@H]6C1)(C)CO)O is a polycyclic ether comprising a linear sequence of sequence of five trans-fused oxacycles and one spiro-fused tetrahydrofuran ring. It has a role as a hapten.
The molecule C1CCC(CC1)C#CC2=CC=C(C=C2)[C@H]3[C@H]4CN(CC(=O)N4[C@@H]3CO)C(=O)CC5=CN=CC=C5 C1CCC(CC1)C#CC2=CC=C(C=C2)[C@H]3[C@H]4CN(CC(=O)N4[C@@H]3CO)C(=O)CC5=CN=CC=C5 is (6S,7S,8S)-7-[4-(2-cyclohexylethynyl)phenyl]-8-(hydroxymethyl)-4-[1-oxo-2-(3-pyridinyl)ethyl]-1,4-diazabicyclo[4.2.0]octan-2-one. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule [H]C1=C([H])CCOC2=CC=CC(=C2)C3=NC(=NC=C3)NC4=CC=CC(=C4)CN(C)C1 [H]C1=C([H])CCOC2=CC=CC(=C2)C3=NC(=NC=C3)NC4=CC=CC(=C4)CN(C)C1 is zotiraciclib (SB1317; TG02) is a novel small molecule potent CDK/JAK2/FLT3 inhibitor, emerged with potent CDK (IC50 against CDKs 1, 2 and 9 = 9, 5 and 3 nM, respectively), FLT3 (IC50 = 19 nM) and JAK2 (IC50 = 19 nM) potency. It is also related to or classified as organic molecular entity .
The molecule C([C@@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)N)OP(OCC[N+](C)(C)C)(=O)O C([C@@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)N)OP(OCC[N+](C)(C)C)(=O)O is A cationic phosphosphingolipid consisting of sphingosine having a phosphocholine moiety attached to its primary hydroxyl group. Its functional parent is sphingosine . It is a conjugate acid of sphingosine-1-phosphocholine .   It is also related to or classified as quaternary ammonium ion  . It is also related to or classified as phosphosphingolipid , phosphocholines .
The molecule O1C(C(O)C(O)C(O)C1OC2=CC=C(C=C2)C=3C(=O)C=4C(OC3)=CC=5OCOC5C4O)CO O1C(C(O)C(O)C(O)C1OC2=CC=C(C=C2)C=3C(=O)C=4C(OC3)=CC=5OCOC5C4O)CO is Irilone 4'-glucoside. It is also related to or classified as acrovestone  . It is also related to or classified as isoflavonoid .
The molecule CC(C)c1cc2CC[C@H]3C(C)(C)CCC[C@]3(C)c2cc1O CC(C)c1cc2CC[C@H]3C(C)(C)CCC[C@]3(C)c2cc1O is an abietane diterpenoid that is abieta-8,11,13-triene substituted by a hydroxy group at positions 12. It has the role of antibacterial agent . It has the role of antineoplastic agent . It has the role of protective agent . It has the role of plant metabolite . It is also related to or classified as phenols  . It is also related to or classified as abietane diterpenoid , carbotricyclic compound , meroterpenoid .
The molecule CC/C=C\\C/C=C\\C=C\\[C@H](CCCCCCCC(=O)O)OO is a (10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoic acid which has S-configuration at the chiral centre. It is a conjugate acid of a (9S,10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoate. It is an enantiomer of a (9R,10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoic acid.
The molecule O=C/1N[C@H](C(=O)N(\C1=C/C2=CC=CC=C2)C)CC3=C(O)C=CC=C3 O=C/1N[C@H](C(=O)N(\C1=C/C2=CC=CC=C2)C)CC3=C(O)C=CC=C3 is (-)-5-hydroxydiphenylalazine A. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CCC1=CC(=C2C1=CC=CC(=C2)C(C)C)S(=O)(=O)[O-] is an arenesulfonate oxoanion obtained by deprotonation of the sulfo group of egualen. It is a conjugate base of an egualen.
The molecule C=1(C=CC(=C(C1C)NS(C)(=O)=O)Cl)OCC2=NCCN2 C=1(C=CC(=C(C1C)NS(C)(=O)=O)Cl)OCC2=NCCN2 is A sulfonamide that is N-phenylmethanesulfonamide which carries a chloro group at position 2, 4,5-dihydro-1H-imidazol-2-ylmethoxy group at position 5, and a methyl group at position 6. Its is a selective alpha-adrenoceptor agonist that is used in the treatment of urinary incontinence. It has the role of alpha-adrenergic agonist .  It is also related to or classified as sulfonamide  . It is also related to or classified as imidazoles , aromatic ether , monochlorobenzenes .
The molecule C[C@H]1CN(C(=O)CCCN2C(=CN=N2)CO[C@H]1CN(C)C(=O)C3CC3)[C@H](C)CO C[C@H]1CN(C(=O)CCCN2C(=CN=N2)CO[C@H]1CN(C)C(=O)C3CC3)[C@H](C)CO is N-[[(8S,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methylcyclopropanecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C[C@@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)F)C(=O)N(C[C@@H]1OC)C)C C[C@@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)F)C(=O)N(C[C@@H]1OC)C)C is 1-(4-fluorophenyl)-3-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-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@@H]([C@H]([C@H](O1)OP(=O)(O)[O-])[NH3+])O)O)O is a zwitterion resulting from the transfer of a proton from the phosphate group to the amino group of alpha-D-galactosamine 1-phosphate. It is a conjugate acid of an alpha-D-galactosamine 1-phosphate(1-). It is a tautomer of an alpha-D-galactosamine 1-phosphate.
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=NC=CS3)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=NC=CS3)C is N-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-thiazolylmethyl)-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]1CN([C@@H](COC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)C(=O)N(C[C@@H]1OC)C)C)C C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)C(=O)N(C[C@@H]1OC)C)C)C is N-[(5R,6R,9R)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide. 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)CC(=O)N[C@@H](CCC(=O)N)C(=O)O is an a N(2)-phenylacetylglutamine having L-configuration. It has a role as a human metabolite. It is a conjugate acid of a N(2)-phenylacetyl-L-glutaminate.
The molecule O1C(C1)COC2=CC=C(CC3=CC=C(OCC4OC4)C=C3)C=C2 O1C(C1)COC2=CC=C(CC3=CC=C(OCC4OC4)C=C3)C=C2 is an aromatic ether that is bisphenol F where the hydrogens of both hydroxy groups have been replaced by a oxiran-2-ylmethyl group. Its functional parent is bisphenol F . It is also related to or classified as epoxide  . It is also related to or classified as aromatic ether , diarylmethane .
The molecule C[C@H]1CN(C(=O)CCCN2C(=CN=N2)CO[C@@H]1CN(C)C(=O)C3=CC4=C(C=C3)C=CN4C)[C@@H](C)CO C[C@H]1CN(C(=O)CCCN2C(=CN=N2)CO[C@@H]1CN(C)C(=O)C3=CC4=C(C=C3)C=CN4C)[C@@H](C)CO is N-[[(8S,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N,1-dimethyl-6-indolecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C[C@H](CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O)O is an optically active tricarboxylic acid that consists of 1,4,7,10-tetraazacyclododecane bearing three carboxymethyl substituents at positions 1, 4 and 7 as well as an (R)-2-hydroxypropyl group at position 10.
The molecule CC1=C(/C(=C/C2=C(C(=C(N2)C(=O)C3=C(C(=C(N3)/C=C\\4/C(=C(C(=O)N4)C=C)C)C=C)C)C)CCC(=O)O)/NC1=O)CCC(=O)O is a biladiene that is the 15-oxo derivative of beta-bilirubin. It is a member of biladienes and a dicarboxylic acid. It is a conjugate acid of a 15-oxo-beta-bilirubin(2-).
The molecule CC1=NC2=C(C=CC=C2NC(=O)C(F)(F)F)C=C1 CC1=NC2=C(C=CC=C2NC(=O)C(F)(F)F)C=C1 is 2,2,2-trifluoro-N-(2-methyl-8-quinolinyl)acetamide. It is also related to or classified as secondary carboxamide  . It is also related to or classified as trifluoroacetamide , quinolines .