anonymous041/ChEBI-Augmented huggingface dataset:
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)CCCN(C)C 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)CCCN(C)C is 4-(dimethylamino)-N-[[(3R,9S,10R)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C=1(C(=C(C=CC1O)Cl)C)O C=1(C(=C(C=CC1O)Cl)C)O is A chlorocatechol that is catechol which is substituted by a methyl group at position 3 and a chlorine at position 4. Its functional parent is 3-methylcatechol . It is also related to or classified as chlorocatechol , methylcatechol , monochlorobenzenes .
The molecule COC(C(C)=C)=O COC(C(C)=C)=O is an enoate ester having methacrylic acid as the carboxylic acid component and methanol as the alcohol component. It has the role of allergen . It has the role of polymerisation monomer . Its functional parent is methacrylic acid . It is also related to or classified as methyl ester  . It is also related to or classified as enoate ester  .
The molecule CCCCCCCCCCCC(=O)OC[C@H](CO)O is a 1-acyl-sn-glycerol that is the S-enantiomer of 2,3-dihydroxypropyl dodecanoate (glyceryl monolaurate). It is a 1-acyl-sn-glycerol and a 1-monolauroylglycerol. It is an enantiomer of a 3-lauroyl-sn-glycerol.
The molecule O[C@@H]1C=CC=C(Cl)[C@@H]1O O[C@@H]1C=CC=C(Cl)[C@@H]1O is (1R,2R)-3-chlorocyclohexa-3,5-diene-1,2-diol. Its functional parent is cis-cyclohexa-3,5-diene-1,2-diol . It is also related to or classified as organochlorine compound  .
The molecule C[C@@H]1CN[C@H](COC2=C(C=CC(=C2)NS(=O)(=O)C)C(=O)N(C[C@H]1OC)C)C C[C@@H]1CN[C@H](COC2=C(C=CC(=C2)NS(=O)(=O)C)C(=O)N(C[C@H]1OC)C)C is N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide. 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)NC(=O)C3=CC=CC=C3)C(=O)N(C[C@@H]1OC)C)C)C(=O)COC C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3)C(=O)N(C[C@@H]1OC)C)C)C(=O)COC is N-[(5R,6R,9R)-5-methoxy-8-(2-methoxy-1-oxoethyl)-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C1(=C(C(=CC=C1)[N+](=O)[O-])C)Cl C1(=C(C(=CC=C1)[N+](=O)[O-])C)Cl is A nitrotoluene that is toluene in which the hydrogens ortho- to the methyl group have been replaced by a chlorine and a nitro group. A low-melting (37 degreeC) solid. It is also related to or classified as volatile organic compound , nitrotoluene , monochlorobenzenes .
The molecule C[C@H]1CN[C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)Cl)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)Cl)C(=O)N(C[C@H]1OC)C)C is 1-(4-chlorophenyl)-3-[(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]urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C1=CC(=C(C=C1Cl)Cl)C(=O)O is a chlorobenzoic acid that is benzoic acid in which the ring hydrogens at positions 2 and 4 are substituted by chloro groups. It has a role as a bacterial metabolite. It is a dichlorobenzene and a chlorobenzoic acid. It derives from a benzoic acid. It is a conjugate acid of a 2,4-dichlorobenzoate.
The molecule C(N[C@H](C(N[C@H](C=O)C[C@@]1(CCNC1=O)[H])=O)CC(C)C)([C@@H](NC(OCC2=CC=CC=C2)=O)CC3=C4C(=CC=C3)C=CC=C4)=O C(N[C@H](C(N[C@H](C=O)C[C@@]1(CCNC1=O)[H])=O)CC(C)C)([C@@H](NC(OCC2=CC=CC=C2)=O)CC3=C4C(=CC=C3)C=CC=C4)=O is Benzyl N-[(2S)-1-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]carbamate. It has the role of anticoronaviral agent . It is also related to or classified as dipeptide  .
The molecule C1(=C(C(=CC=C1O)[N+]([O-])=O)C)O C1(=C(C(=CC=C1O)[N+]([O-])=O)C)O is A nitrotoluene that is 2-nitrotoluene carrying two hydroxy substituents at positions 5 and 6.  It is also related to or classified as catechols  . It is also related to or classified as nitrotoluene .
The molecule CCCN1C[C@@H]([C@H](CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C)OC[C@H]1C)C)OC)C CCCN1C[C@@H]([C@H](CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C)OC[C@H]1C)C)OC)C is N-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC(C1=CC2=CC=CC=C2S1)N(C(=O)N)O is a member of the class of 1-benzothiophenes that is 1-benzothiophene in which the hydrogen at position 2 is replaced by a 1-[carbamoyl(hydroxy)amino]ethyl group. A selective 5-lipoxygenase inhibitor, it inhibits the formation of leukotrienes LTB4, LTC4, LDT4, and LTE4. It is used for the management of chronic asthma. It has a role as an EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor, a non-steroidal anti-inflammatory drug, an anti-asthmatic drug and a leukotriene antagonist. It is a member of ureas and a member of 1-benzothiophenes. It derives from a hydride of a 1-benzothiophene.
The molecule C1(C(O)=O)=CC[C@@](C=2CC(CCC2)(C)C)(CC1)[H] C1(C(O)=O)=CC[C@@](C=2CC(CCC2)(C)C)(CC1)[H] is A sesquiterpene phytoalexin that is (S)-beta-macrocarpene in which the methyl group that is attached to a double bond has undergone formal oxidation to give the corresponding carboxylic acid. It is produced by maize (Zea mays) to provide biochemical protection against fungal infection. Its functional parent is (S)-beta-macrocarpen-15-ol . It is a conjugate acid of zealexin A1(1-) . It is also related to or classified as sesquiterpene phytoalexin , alpha,beta-unsaturated monocarboxylic acid .
The molecule C1=CC=C(C(=C1)/C(=C/C=C/C(=O)C(=O)O)/[O-])N is a 6-oxo monocarboxylic acid anion which is obtained by removal of a proton from the carboxylic acid group of (2E,4E)-6-(2-aminophenyl)-2-hydroxy-6-oxohexa-2,4-dienoic acid. It is a 6-oxo monocarboxylic acid anion and a hydroxy monocarboxylic acid anion. It is a conjugate base of a (2E,4E)-6-(2-aminophenyl)-2-hydroxy-6-oxohexa-2,4-dienoic acid.
The molecule CC1CNC(=O)NC1=O CC1CNC(=O)NC1=O is A pyrimidone obtained by formal addition of hydrogen across the 5,6-position of thymine. It has the role of metabolite . It has the role of mouse metabolite . It has the role of human metabolite . Its functional parent is thymine . It is also related to or classified as pyrimidone .
The molecule C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[C@@H](C)CO)C)CN(C)S(=O)(=O)C C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[C@@H](C)CO)C)CN(C)S(=O)(=O)C is 4,4,4-trifluoro-N-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(methylsulfonyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule [C@]123[C@H](O1)[C@](C(C=C2[C@]4([C@](CC3)(C([C@@H](C(C4)=O)O)(C)C)[H])C)=O)(C=C)C [C@]123[C@H](O1)[C@](C(C=C2[C@]4([C@](CC3)(C([C@@H](C(C4)=O)O)(C)C)[H])C)=O)(C=C)C is an organic heterotetracyclic compound that is ent-pimara-9(11),15-diene which is substituted by oxo groups at position 2 and 12, by a beta-epoxide at the 8,14 position, and by an alpha-hydroxy group at position 3. It has the role of plant metabolite . It is also related to or classified as secondary alpha-hydroxy ketone  . It is also related to or classified as epoxide  .  It is also related to or classified as enone  . It is also related to or classified as organic heterotetracyclic compound .
The molecule OC(=O)c1cccnc1Nc1cccc(c1)C(F)(F)F OC(=O)c1cccnc1Nc1cccc(c1)C(F)(F)F is Niflumic acid. It is also related to or classified as pyridines , aromatic carboxylic acid .
The molecule CC1=C(C2=C(C(=C1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C)O[C@@H](CC2=O)C4=C(C=CC(=C4)O)O)O is a flavanone glycoside that is (2S)-flavanone substituted by methyl groups at positions 6 and 8, hydroxy groups at positions 5, 2' and 5' and a beta-D-glucopyranosyloxy residue at position 7. Isolated from the leaves of Myrcia multiflora, it exhibits inhibitory activity against alpha-glucosidase and aldose reductase. It has a role as a metabolite, an EC 3.2.1.20 (alpha-glucosidase) inhibitor and an EC 1.1.1.21 (aldehyde reductase) inhibitor. It is a trihydroxyflavanone, a flavanone glycoside, a beta-D-glucoside and a monosaccharide derivative.
The molecule CCCCC(C1CCCC=C1C(=O)O)=O CCCCC(C1CCCC=C1C(=O)O)=O is A cyclohexenecarboxylic acid that is cyclohex-1-ene-1-carboxylic acid which is substituted by a pentanoyl group at position 6. It is also related to or classified as ketone  . It is also related to or classified as cyclohexenecarboxylic acid , oxo carboxylic acid , alpha,beta-unsaturated monocarboxylic acid .
The molecule CC(=O)N[C@@H](CSC1=C(C(=O)C=C2C1=NC3=C(O2)C=CC(=C3)C(=O)[O-])N)C(=O)[O-] is an L-alpha-amino-acid anion obtained by deprotonation of the two carboxy groups of grixazone B. It is a conjugate base of a grixazone B.
The molecule [H]C(=CCl)C(O)=O [H]C(=CCl)C(O)=O is A chlorocarboxylic acid that is acrylic acid in which one of the hydrogens at position 3 is substituted by chlorine. Its functional parent is acrylic acid . It is a conjugate acid of 3-chloroacrylate . It is also related to or classified as monocarboxylic acid , chlorocarboxylic acid .
The molecule C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@@H](C)CO)C)CN(C)C(=O)CCCN(C)C C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@@H](C)CO)C)CN(C)C(=O)CCCN(C)C is N-[(3R,9R,10R)-9-[[[4-(dimethylamino)-1-oxobutyl]-methylamino]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]benzamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C1=CC(=CC=C1)CC(OCC[C@H](CCCC(=C)C)C)=O C1=CC(=CC=C1)CC(OCC[C@H](CCCC(=C)C)C)=O is A carboxylic ester resulting from the formal condensation of phenylacetic acid with (3S)-3,7-dimethyloct-7-en-1-ol. It has the role of flavouring agent . Its functional parent is phenylacetic acid . It is also related to or classified as carboxylic ester  . It is also related to or classified as olefinic compound .
The molecule [C@H]1([C@@H]([C@H](CO[C@H]1C\C(=C\C(OCCCCCCCCC([O-])=O)=O)\C)C[C@]2([C@](O2)([H])[C@@H](C)[C@H](C)O)[H])O)O.[Ca+2].O.[C@H]1([C@@H]([C@H](CO[C@H]1C\C(=C\C(OCCCCCCCCC([O-])=O)=O)\C)C[C@]2([C@](O2)([H])[C@@H](C)[C@H](C)O)[H])O)O.O [C@H]1([C@@H]([C@H](CO[C@H]1C\C(=C\C(OCCCCCCCCC([O-])=O)=O)\C)C[C@]2([C@](O2)([H])[C@@H](C)[C@H](C)O)[H])O)O.[Ca+2].O.[C@H]1([C@@H]([C@H](CO[C@H]1C\C(=C\C(OCCCCCCCCC([O-])=O)=O)\C)C[C@]2([C@](O2)([H])[C@@H](C)[C@H](C)O)[H])O)O.O is A hydrate that is the dihydrate form of mupirocin calcium. It is an antibacterial drug used for the treatment of skin infections such as impetigo caused by Staphylococcus aureus and meticillin-resistant Staphylococcus aureus (MRSA). It has the role of antiinfective agent . It has the role of antibacterial drug . It has the role of protein synthesis inhibitor . It is also related to or classified as hydrate .
The molecule CC1=CC(=CC=C1)OCC(C[NH2+]CCC2=CC(=C(C=C2)OC)OC)O.[Cl-] is the hydrochloride salt of bevantolol. It has a role as a calcium channel blocker, a beta-adrenergic antagonist, an antihypertensive agent and an anti-arrhythmia drug. It contains a bevantolol.
The molecule CCCNC(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@@H]([C@@H](CN(C2=O)C)OC)C)CC3=CN=CN=C3)C CCCNC(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@@H]([C@@H](CN(C2=O)C)OC)C)CC3=CN=CN=C3)C is 1-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(5-pyrimidinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCCCCCC(C\C=C\CCCCCCCC(=O)OCCC)O CCCCCCC(C\C=C\CCCCCCCC(=O)OCCC)O is Polyoxyethylene (600) monoricinoleate. It is also related to or classified as fatty acid ester  .
The molecule CCC(=O)N1C[C@H]([C@H](CN(C(=O)C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)F)OC[C@H]1C)C)OC)C CCC(=O)N1C[C@H]([C@H](CN(C(=O)C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)F)OC[C@H]1C)C)OC)C is 4-fluoro-N-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(1-oxopropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule COc1ccc2c(CCC(c3ccccc3)=C2c2ccc(OCCN3CCCC3)cc2)c1 COc1ccc2c(CCC(c3ccccc3)=C2c2ccc(OCCN3CCCC3)cc2)c1 is Nafoxidine. It is also related to or classified as benzenes , naphthalenes , ring assembly .
The molecule S([C@@]12N(C(=O)[C@]3(SC)C[C@@H]4[C@H](N3C1=O)[C@@H](O)CCC4=O)[C@@H]5[C@@H](O)C=CC([C@@H]5C2)=O)C S([C@@]12N(C(=O)[C@]3(SC)C[C@@H]4[C@H](N3C1=O)[C@@H](O)CCC4=O)[C@@H]5[C@@H](O)C=CC([C@@H]5C2)=O)C is Epicoccin J. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C1CNCCC1(C2=CC=C(C=C2)C3=CNN=C3)C4=CC=C(C=C4)Cl is a member of the class of piperidines carrying two aryl substituents (4-chlorophenyl and 4-(pyrazol-4-yl)phenyl) at position 4. It has a role as an EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor and an antineoplastic agent. It is a member of pyrazoles, a member of piperidines and a member of monochlorobenzenes.
The molecule [183W] [183W] is the stable isotope of niobium with relative atomic mass 182.950225, 14.3 atom percent natural abundance and nuclear spin 1/2. It is also related to or classified as tungsten  .
The molecule OC(=O)CN(CC(O)=O)CC(O)=O OC(=O)CN(CC(O)=O)CC(O)=O is nitrilotriacetic acid. It has the role of carcinogenic agent . It has the role of nephrotoxic agent . It is a conjugate acid of nitrilotriacetate(1-) . It is also related to or classified as tricarboxylic acid , NTA .
The molecule C1CC([C@@]2(C=CC=3C(C(=C(C(C3[C@@]2(C)C1)=O)O)C(C)C)=O)[H])(C)C C1CC([C@@]2(C=CC=3C(C(=C(C(C3[C@@]2(C)C1)=O)O)C(C)C)=O)[H])(C)C is CHEMBL242491. It has the role of anticoronaviral agent . It is also related to or classified as diterpenoid  .
The molecule C=12C=CC=CC1NC=C2CC(NC(CC(=O)O)=O)C(O)=O C=12C=CC=CC1NC=C2CC(NC(CC(=O)O)=O)C(O)=O is A tryptophan derivative resulting from the formal condensation of the alpha-amino group of tryptophan with malonic acid. Its functional parent is malonic acid . It is also related to or classified as secondary carboxamide  . It is also related to or classified as tryptophan derivative , dicarboxylic acid .
The molecule [H][C@]12CC[C@]3(C)[C@@H](O)[C@@](C)(O)C[C@@]3([H])[C@]1([H])CCc1cc(OC)ccc21 [H][C@]12CC[C@]3(C)[C@@H](O)[C@@](C)(O)C[C@@]3([H])[C@]1([H])CCc1cc(OC)ccc21 is mytatrienediol. It is also related to or classified as 16beta-hydroxy steroid  . It is also related to or classified as 17beta-hydroxy steroid  .
The molecule C1=CC=C(C=C1)OC2=NC3=C(C=C2)C=C(C=C3)O is a monohydroxyquinoline that is 6-hydroxyquinoline in which the hydrogen at position 2 is replaced by a phenoxy group. It is a monohydroxyquinoline and an aromatic ether.
The molecule CCCC(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@H]([C@H](CN(C2=O)C)OC)C)CC3=CC=CC=C3F)C CCCC(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@H]([C@H](CN(C2=O)C)OC)C)CC3=CC=CC=C3F)C is N-[(4R,7R,8R)-5-[(2-fluorophenyl)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CNC1=CC=CC=C1C(OC)=O CNC1=CC=CC=C1C(OC)=O is A methyl ester resulting from the formal condensation of the carboxy group of N-methylanthranilic acid with methanol. It has the role of animal metabolite . It has the role of plant metabolite . It has the role of fungal metabolite . Its functional parent is N-methylanthranilic acid . It is also related to or classified as methyl ester  . It is also related to or classified as benzoate ester , substituted aniline , secondary amino compound .
The molecule C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NS(=O)(=O)C)C(=O)N(C[C@@H]1OC)C)C)C C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NS(=O)(=O)C)C(=O)N(C[C@@H]1OC)C)C)C is N-[(5R,6S,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]methanesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(C(CCCCCCCCCCCCCC)C(=O)O)O is a forty-six membered mycolic acid consisting of 3-hydroxydotriacontanoic acid having a tetradecyl group at the 2-position. It is a mycolic acid and a 3-hydroxy fatty acid.
The molecule O=C1O[C@@H](CC=2C1=C(O)C=C(O)C2)C[C@H](OC(=O)C3=C(O)C=C(O)C=C3C[C@H](OC(=O)C[C@H](OC(=O)C4=C(O)C=C(O)C=C4C[C@H](OC(=O)C[C@H](O)C)C)C)C)C O=C1O[C@@H](CC=2C1=C(O)C=C(O)C2)C[C@H](OC(=O)C3=C(O)C=C(O)C=C3C[C@H](OC(=O)C[C@H](OC(=O)C4=C(O)C=C(O)C=C4C[C@H](OC(=O)C[C@H](O)C)C)C)C)C is Menisporopsin B. Its functional parent is hexacarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=C(OC=CC2=O)C)COC(=O)CC(CC(O)=O)(C)O O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=C(OC=CC2=O)C)COC(=O)CC(CC(O)=O)(C)O is A monosaccharide derivative resulting from the formal condensation of the hydroxy group of 2-methyl-4-oxo-4H-pyran-3-yl beta-D-glucopyranoside with the carboxy group of 3-hydroxy-3-methylglutaric acid. It has the role of plant metabolite . Its functional parent is beta-D-glucose . Its functional parent is 3-hydroxy-3-methylglutaric acid . Its functional parent is 3-hydroxy-2-methyl-4-pyrone . It is also related to or classified as beta-D-glucoside  . It is also related to or classified as tertiary alcohol  . It is also related to or classified as dicarboxylic acid monoester , monosaccharide derivative .
The molecule C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C)C(=O)N(C[C@H]1OC)C)C)CC3CCCCC3 C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C)C(=O)N(C[C@H]1OC)C)C)CC3CCCCC3 is N-[(4R,7S,8S)-5-(cyclohexylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule Cl[Ni]Cl Cl[Ni]Cl is A compound of nickel and chloride in which the ratio of nickel (in the +2 oxidation state) to chloride is 1:2. It has the role of calcium channel blocker . It has the role of hapten . It is also related to or classified as nickel coordination entity .
The molecule C1C(OC(=O)C2=C1C=CC=C2O)C3=CC=C(C=C3)O is a member of the class of dihydroisocoumarins that is 3,4-dihydroisocoumarin substituted by a hydroxy group at position 8 and a 4-hydroxyphenyl group at position 3. It has been isolated from the roots of Scorzonera judaica and exhibits anti-allergic activity. It has a role as an anti-allergic agent and a plant metabolite. It is a member of phenols and a member of dihydroisocoumarins. It derives from a 3,4-dihydroisocoumarin.
The molecule C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3CC3)C(=O)N(C[C@@H]1OC)C)C)C(=O)CN(C)C C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3CC3)C(=O)N(C[C@@H]1OC)C)C)C(=O)CN(C)C is N-[(4R,7R,8R)-5-[2-(dimethylamino)-1-oxoethyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
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-[[(3S,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 CC(C)=CCC1=C(C=CC=2C3=C(C=4C=CC(=CC4OC3=O)O)OC12)O CC(C)=CCC1=C(C=CC=2C3=C(C=4C=CC(=CC4OC3=O)O)OC12)O is A member of the class of coumestans that is coumestrol with a prenyl substituent at position 10. It has the role of plant metabolite . Its functional parent is coumestrol . It is also related to or classified as delta-lactone  .   It is also related to or classified as coumestans  . It is also related to or classified as polyphenol , organic heterotetracyclic compound , olefinic compound .
The molecule COC1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C(=C(C=C3O)OC)OC)O is a member of the class of flavonols that is flavonol substituted by an additional hydroxy group at position 5 and methoxy groups at positions 7, 8 and 4' respectively. It has a role as a plant metabolite. It is a trimethoxyflavone, a member of flavonols and a dihydroxyflavone. It derives from a flavonol.
The molecule OC(=O)c1cccc(Cl)c1 OC(=O)c1cccc(Cl)c1 is A monochlorobenzoic acid carrying a chloro substituent at position 3. It has the role of drug metabolite . Its functional parent is benzoic acid . It is a conjugate acid of 3-chlorobenzoate . It is also related to or classified as monochlorobenzoic acid .
The molecule CC(=O)O[C@H](CC(CCCCCCC/C=C\C/C=C\CCCCC)=O)CO CC(=O)O[C@H](CC(CCCCCCC/C=C\C/C=C\CCCCC)=O)CO is A long-chain primary fatty alcohol that is henicosan-1-ol which carries an acetoxy group at position 2, keto group at position 4, and two double bonds at positions 12 and 15. It is also related to or classified as ketone  . It is also related to or classified as acetate ester  . It is also related to or classified as long-chain primary fatty alcohol  .
The molecule COC1=C(C(=C(C(=C1)O)CC2=CC=CC=C2O)O)C(=O)/C=C/C3=CC=CC=C3 is a member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 2' and 4', 2-hydroxy benzyl group at position 3' and methoxy group at position 6'. It is isolated from the aerial parts of Ellipeiopsis cherrevensis and exhibits antibacterial, antimalarial and antineoplastic activity. It has a role as a metabolite, an antimalarial, an antibacterial agent and an antineoplastic agent. It is a member of chalcones and a member of resorcinols. It derives from a trans-chalcone.
The molecule CC(C)c1cccc(C(C)C)c1N=[U]123456789([Te]c%10ccccc%10)C%10(C)C1(C)C2(C)C3(C)C4%10C.CC51C6(C)C7(C)C8(C)C91C CC(C)c1cccc(C(C)C)c1N=[U]123456789([Te]c%10ccccc%10)C%10(C)C1(C)C2(C)C3(C)C4%10C.CC51C6(C)C7(C)C8(C)C91C is A uranium coordination entity consisting of uranium(V) bound to two pentamethylcyclopentadienyl groups, a 2,6-diisopropylanilino group (via a U=N bond) and a phenyltelluryl group. It is also related to or classified as uranium coordination entity , organotellurate .
The molecule O1[C@@]23/C(/C=CC2NCC[C@@H]13)=C/C O1[C@@]23/C(/C=CC2NCC[C@@H]13)=C/C is Dihydroabikoviromycin.  It is also related to or classified as epoxide  . It is also related to or classified as piperidines .
The molecule C1CC(C)(C)[C@@]2(CC[C@]3(C=C(C(C=C3[C@@]2(C)C1)=O)C(C)C)O)[H] C1CC(C)(C)[C@@]2(CC[C@]3(C=C(C(C=C3[C@@]2(C)C1)=O)C(C)C)O)[H] is (4Bs,8aS,10aR)-10a-hydroxy-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-3-one. It has the role of anticoronaviral agent . It is also related to or classified as diterpenoid  .
The molecule C=1(C(=CC=C(C1)CCC(/C=C/CCC=2C=C(C(=C(C2)OC)O)OC)=O)O)OC C=1(C(=CC=C(C1)CCC(/C=C/CCC=2C=C(C(=C(C2)OC)O)OC)=O)O)OC is A diarylheptanoid that is (4E)-hept-4-en-3-one substituted by a 4-hydroxy-3-methoxyphenyl group at position 1 and a 4-hydroxy-3,5-dimethoxyphenyl group at position 7. It has been isolated from the rhizomes of Zingiber officinale. It has the role of plant metabolite . It is also related to or classified as guaiacols  . It is also related to or classified as enone  . It is also related to or classified as diarylheptanoid .