anonymous041/ChEBI-Augmented huggingface dataset:
The molecule O1C(C(O)C(O)C(O)C1OC(=O)/C=C/C2=CC(O)=C(O)C=C2)CO O1C(C(O)C(O)C(O)C1OC(=O)/C=C/C2=CC(O)=C(O)C=C2)CO is 1-O-Caffeoylglucose. Its functional parent is hydroxycinnamic acid . It is also related to or classified as glycoside  .
The molecule C1=C(C=C2C(=C1O)OC3=C(O2)C4=C(C(=C3)O)OC5=CC(=CC(=C5O4)O)O)O is a phlorotannin that is [1,4]benzodioxino[2,3-a]oxanthrene substituted by hydroxy groups at positions 1, 3, 6, 9 and 11. Isolated from the brown alga Ecklonia stolonifera, it exhibits radical scavenging activity. It has a role as a metabolite and a radical scavenger. It is a phlorotannin, an organic heteropentacyclic compound and an oxacycle. It derives from a phloroglucinol.
The molecule C=1(C(=C(C(=C(C1)C)C(=O)O)O)C)O C=1(C(=C(C(=C(C1)C)C(=O)O)O)C)O is A dihydroxybenzoic acid that is o-orsellinic acid in which the hydrogen at position 3 is substituted by a methyl group. It has the role of antibacterial agent . It has the role of fungal metabolite . It has the role of Aspergillus metabolite . Its functional parent is o-orsellinic acid . It is a conjugate acid of 3-methylorsellinate . It is also related to or classified as dihydroxybenzoic acid , resorcinols .
The molecule O(P(OP(O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)NC(=O)C)(O)=O)(O)=O)C/C=C(/C)\CC/C=C(/C)\CC/C=C(\CC/C=C(\CC/C=C(\CC/C=C(\CC/C=C(\CC/C=C(\CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)/C)/C)/C)/C)/C)/C O(P(OP(O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)NC(=O)C)(O)=O)(O)=O)C/C=C(/C)\CC/C=C(/C)\CC/C=C(\CC/C=C(\CC/C=C(\CC/C=C(\CC/C=C(\CC/C=C(\CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)/C)/C)/C)/C)/C)/C is A polyprenyl phospho oligosaccharide consisting of the tetrasaccharide alpha-D-mannosyl-(1->3)-alpha-D-mannosyl-(1->3)-alpha-D-mannosyl-(1->3)-N-acetyl-alpha-D-glucosamin linked via a diphospho group to ditrans,polycis-undecaprenol. It is a conjugate acid of alpha-D-mannosyl-(1->3)-alpha-D-mannosyl-(1->3)-alpha-D-mannosyl-(1->3)-N-acetyl-alpha-D-glucosaminyl-1-diphospho-ditrans,polycis-undecaprenol(2-) . It is also related to or classified as polyprenyl phospho oligosaccharide .
The molecule NC(=O)c1cccnc1 NC(=O)c1cccnc1 is A pyridinecarboxamide that is pyridine in which the hydrogen at position 3 is replaced by a carboxamide group. It has the role of geroprotector . It has the role of antioxidant . It has the role of cofactor . It has the role of metabolite . It has the role of EC 3.5.1.98 (histone deacetylase) inhibitor . It has the role of EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor . It has the role of neuroprotective agent . It has the role of anti-inflammatory agent . It has the role of Sir2 inhibitor . 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 urinary metabolite . Its functional parent is nicotinic acid . It is also related to or classified as vitamin B3 , pyridinecarboxamide , pyridine alkaloid .
The molecule [At-] [At-] is astatide. It is also related to or classified as halide anion  . It is also related to or classified as elemental astatine .
The molecule COC(=O)Nc1nc2cc(Sc3ccccc3)ccc2[nH]1 COC(=O)Nc1nc2cc(Sc3ccccc3)ccc2[nH]1 is A member of the class of benzimidazoles that is 1H-benzimidazole  which is substituted at positons 2 and 5 by (methoxycarbonyl)amino and phenylsulfanediyl groups, respectively. A broad-spectrum anthelmintic, it is used, particularly in veterinary medicine, for the treatment of nematodal infections. It has the role of antinematodal drug . It is also related to or classified as benzimidazoles , carbamate ester , aryl sulfide .
The molecule CC1=C(C2=C(C3=C1OC4=C([C@H]3C(C)C)C(=O)C(C(=C4C)OC)(C)C)O[C@@H](CC2=O)C5=CC=CC=C5)O is an organic heterotetracyclic compound that is 2,3,10,12-tetrahydro-4H,11H-pyrano[2,3-a]xanthene-4,11-dione substituted by methyl groups at positions 6, 8, 10, and 10, and by hydroxy, isopropyl, methoxy, phenyl, and groups at positions 5, 12, 9, and 2, respectively (the S,S-enantiomer). It is isolated from the leaves of Baeckea frutescens and exhibits cytotoxicity against leukemia cells. It has a role as a metabolite and an antineoplastic agent. It is an organic heterotetracyclic compound, an extended flavonoid, a member of phenols and an ether.
The molecule C/C=C\\C=C(\\C(=O)O)/[O-] is a monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of (2Z,4Z)-2-hydroxyhexa-2,4-dienoic acid. It is a conjugate base of a (2Z,4Z)-2-hydroxyhexa-2,4-dienoic acid.
The molecule C1=Cc2cc3=CC=Cc3cc2=C1 C1=Cc2cc3=CC=Cc3cc2=C1 is an indacene that consists of a benzene ring having two fused cyclopentane rings in a rectilinear arrangement. It is also related to or classified as indacene , s-indacenes .
The molecule O=C1C(O)=C(C(=O)C(=C1C2=CC=CC=C2)[O-])C3=CC=CC=C3 O=C1C(O)=C(C(=O)C(=C1C2=CC=CC=C2)[O-])C3=CC=CC=C3 is major microspecies at pH 7.3. It is also related to or classified as benzoquinones , p-quinones .
The molecule C(CCCCCCCCC(C(C(N)CO)O)O)C C(CCCCCCCCC(C(C(N)CO)O)O)C is A tetrol that is 2-aminotetradecane with the theree hydroxy substituents located at position 1, 3, and 4. It has the role of plant metabolite . It is also related to or classified as amino alcohol , triol .
The molecule O[C@H](CF)C([O-])=O O[C@H](CF)C([O-])=O is the conjugate base of (S)-3-fluorolactic acid. Its functional parent is propionate .  It is also related to or classified as organofluorine compound  . It is also related to or classified as hydroxy monocarboxylic acid anion .
The molecule OC[C@@H](O)[C@H]1O[C@](O)(C[C@@H](O)[C@H]1O)C([O-])=O OC[C@@H](O)[C@H]1O[C@](O)(C[C@@H](O)[C@H]1O)C([O-])=O is A carbohydrate acid anion obtained by deprotonation of the carboxy group of 3-deoxy-alpha-D-manno-oct-2-ulosonic acid; major species at pH 7.3.  It is also related to or classified as monocarboxylic acid anion  . It is also related to or classified as carbohydrate acid anion .
The molecule [C@@H]1([C@@H]([C@@H]([C@@H]([C@H]([C@@H]1O)O)O)O)OP(OC[C@@H](CO)OC(CCCCCCC/C=C\CCCCCC)=O)(=O)O)O [C@@H]1([C@@H]([C@@H]([C@@H]([C@H]([C@@H]1O)O)O)O)OP(OC[C@@H](CO)OC(CCCCCCC/C=C\CCCCCC)=O)(=O)O)O is A 2-acyl-sn-glycero-3-phospho-D-myo-inositol that has palmitoleoyl as the acyl group. It is also related to or classified as 2-acyl-sn-glycero-3-phospho-D-myo-inositol  .
The molecule O1C([C@@H]2[C@@]3(O)C=4C(=CC=C5C4C=6[C@@H]1[C@@]7(O)[C@]([C@@]8([C@](O)([C@@]9%10O[C@@H]9[C@@H](O)[C@H](O[C@H]%10CC8)C(=C)C)CC7)C)(C)C6N5)CC([C@H]3C2)=C)(C)C O1C([C@@H]2[C@@]3(O)C=4C(=CC=C5C4C=6[C@@H]1[C@@]7(O)[C@]([C@@]8([C@](O)([C@@]9%10O[C@@H]9[C@@H](O)[C@H](O[C@H]%10CC8)C(=C)C)CC7)C)(C)C6N5)CC([C@H]3C2)=C)(C)C is 19-hydroxypenitrem E. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule ClC(Cl)C(CC(N(C(=O)CC(C)C)C)C(=O)N1C(C=2SC=CN2)CCC1)C ClC(Cl)C(CC(N(C(=O)CC(C)C)C)C(=O)N1C(C=2SC=CN2)CCC1)C is Dysideaproline D. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
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\c1ccccc1 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\c1ccccc1 is the (E)-isomer of cinnamoyl-CoA. It is a conjugate acid of (E)-cinnamoyl-CoA(4-) . It is also related to or classified as cinnamoyl-CoA  .
The molecule C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)[C@@H](O)O[C@H](CO)[C@@H]3O)[C@@H]2NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)[C@@H](O)O[C@H](CO)[C@@H]3O)[C@@H]2NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O is an amino tetrasaccharide consisting of alpha-L-fucose, beta-D-galactose, N-acetyl-alpha-D-galactosamine and alpha-D-galactose residues joined in sequence with (1->2)-, (1->3)- and (1->3)-linkages, respectively. It has the role of epitope . Its functional parent is beta-D-Galp-(1->3)-beta-D-GalpNAc-(1->3)-alpha-D-Galp . It is also related to or classified as galactosamine oligosaccharide , amino tetrasaccharide .
The molecule C([C@H](C(=O)O)O)C(=O)O is an optically active form of malic acid having (R)-configuration. It is a conjugate acid of a (R)-malate(2-). It is an enantiomer of a (S)-malic acid.
The molecule F[Ni-](F)F F[Ni-](F)F is trifluoronickelate(1-). It is also related to or classified as nickel coordination entity , perfluorometallate anion .
The molecule C/C(=C\\CC/C(=C/COP(=O)(O)OP(=O)(O)O)/C)/CC/C=C(\\C)/CO is a terpenyl phosphate obtained by hydroxylation of one of the terminal methyl groups of (2E,6E)-farnesyl diphosphate It is a polyprenyl diphosphate, a terpenyl phosphate, an olefinic compound and a primary alcohol. It derives from a 2-trans,6-trans-farnesyl diphosphate. It is a conjugate acid of a (2E,6E,10E)-omega-hydroxyfarnesyl diphosphate(3-).
The molecule C(C(C(F)(F)OC(F)(F)F)(F)F)(=O)O C(C(C(F)(F)OC(F)(F)F)(F)F)(=O)O is 2,2,3,3-tetrafluoro-3-(trifluoromethoxy)propanoic acid is a monomer that exhibits reactivity with  carboxylic groups, amines, and carbonyls. It is also related to or classified as organic molecular entity .
The molecule Cn1cnc(CC[NH3+])c1 Cn1cnc(CC[NH3+])c1 is conjugate acid of N(tele)-methylhistamine. It has the role of human metabolite . It is a conjugate acid of N(tele)-methylhistamine . It is also related to or classified as ammonium ion derivative .
The molecule O=C1C(O)=C(C(=O)C(=C1C2=CC=CC=C2)O)C3=CC=CC=C3 O=C1C(O)=C(C(=O)C(=C1C2=CC=CC=C2)O)C3=CC=CC=C3 is Polyporic acid. It is a conjugate acid of polyporic acid anion(1-) . It is also related to or classified as benzoquinones , p-quinones .
The molecule CCCCCCCCCCCCCC CCCCCCCCCCCCCC is A straight chain alkane consisting of 14 carbon atoms. It has the role of volatile oil component . It has the role of plant metabolite . It is also related to or classified as long-chain alkane  .
The molecule COc1ccc(cc1)[C@@H]1Sc2ccccc2N(CC[NH+](C)C)C(=O)[C@@H]1OC(C)=O COc1ccc(cc1)[C@@H]1Sc2ccccc2N(CC[NH+](C)C)C(=O)[C@@H]1OC(C)=O is an ammonium ion resulting from the protonation of the nitrogen of the dimethylaminoethyl substituent of diltiazem. The major species at pH 7.3. It has the role of vasodilator agent . It has the role of histamine agonist . It has the role of calcium channel blocker . It is a conjugate acid of diltiazem . It is also related to or classified as ammonium ion derivative .
The molecule O[C@@H]1C\C(=C\C=C/2\[C@H]3[C@](CCC2)(/C(/CC3)=C(\C)/C#CCCCC(O)(CC)CC)C)\C([C@@H](O)C1)=C O[C@@H]1C\C(=C\C=C/2\[C@H]3[C@](CCC2)(/C(/CC3)=C(\C)/C#CCCCC(O)(CC)CC)C)\C([C@@H](O)C1)=C is (17z)-1alpha,25-dihydroxy-26,27-dimethyl-17,20,22,22,23,23-hexadehydro-24a,24b-dihomovitamin d3 / (17z)-1alpha,25-dihydroxy-26,27-dimethyl-17,20,22,22,23,23-hexadehydro-24a,24b-dihomocholecalciferol. It is also related to or classified as organic molecular entity .
The molecule NC(=C)C(O)=O NC(=C)C(O)=O is A 2,3-dehydroamino acid that is alanine which has been dehydrogenated to introduce a double bond between positions 2 and 3. It has the role of alkylating agent . It has the role of mouse metabolite . It has the role of human metabolite . It is a conjugate acid of 2-aminoacrylate .  It is also related to or classified as enamine  . It is also related to or classified as 2,3-dehydroamino acid , alpha,beta-unsaturated monocarboxylic acid , non-proteinogenic alpha-amino acid .
The molecule O(C=1C(=CC=CC1)C)C(=O)C O(C=1C(=CC=CC1)C)C(=O)C is o-Tolyl acetate. It is also related to or classified as phenols  . It is also related to or classified as benzoate ester .
The molecule CCC1=C(C=C2CC(CC2=C1)NC[C@@H](C3=C4C=CC(=O)NC4=C(C=C3)O)O)CC is a monohydroxyquinoline that consists of 5-[(1R)-2-amino-1-hydroxyethyl]-8-hydroxyquinolin-2-one having a 5,6-diethylindan-2-yl group attached to the amino function. Used as the maleate salt for treatment of chronic obstructive pulmonary disease. It has a role as a beta-adrenergic agonist and a bronchodilator agent. It is a quinolone, a monohydroxyquinoline, a member of indanes, a secondary alcohol and a secondary amino compound. It is a conjugate base of an indacaterol(1+).
The molecule C(=C\\SC(=N)N)\\C(=O)O is an imidothiocarbamic ester that is (2Z)-prop-2-enoic acid with a carbamimidoylsulfanyl group at position 3. It has a role as a metabolite. It is an imidothiocarbamic ester and a monocarboxylic acid.
The molecule NC(C(O)=O)c1ccccc1 NC(C(O)=O)c1ccccc1 is an amino acid with a structure in which a phenyl ring is bonded to the alpha-carbon of glycine. It has the role of human metabolite . It is also related to or classified as non-proteinogenic alpha-amino acid .
The molecule [Na+].[Na+].COc1ccc(cc1\N=N\C1C(C)=NN(C1=O)c1c(C)cc(cc1Cl)S([O-])(=O)=O)S(=O)(=O)CCOS([O-])(=O)=O [Na+].[Na+].COc1ccc(cc1\N=N\C1C(C)=NN(C1=O)c1c(C)cc(cc1Cl)S([O-])(=O)=O)S(=O)(=O)CCOS([O-])(=O)=O is A organic sodium salt that is the disodium salt of an azo-substituted pyrazolinone sulfonic acid compound. It has the role of dye . It is also related to or classified as pyrazoles , organic sodium salt , monoazo compound .
The molecule CC(C)C[C@@H](O)C([O-])=O CC(C)C[C@@H](O)C([O-])=O is the anion of (R)-2-hydroxy-4-methylpentanoic acid. It has the role of human metabolite . Its functional parent is valerate . It is also related to or classified as 2-hydroxy-4-methylvalerate  . It is also related to or classified as hydroxy monocarboxylic acid anion .
The molecule ClC1=C(O)C(=C2OC=3C(=CC(=C(C3OC(C2=C1C)=O)C)OC)C)C(=O)[H] ClC1=C(O)C(=C2OC=3C(=CC(=C(C3OC(C2=C1C)=O)C)OC)C)C(=O)[H] is A member of the class of depsidones that is 11H-dibenzo[b,e][1,4]dioxepine substituted by methyl groups at positions 1,6 and 9, chloro group at position 2, hydroxy group at position 3, formyl group at position 4, methoxy group at position 8 and an oxo group at position 11. It is a lichen metabolite isolated from several Psoroma species. It has the role of antimicrobial agent . It has the role of antineoplastic agent . It has the role of apoptosis inducer . It has the role of lichen metabolite . It is also related to or classified as aldehyde  .  It is also related to or classified as phenols  .  It is also related to or classified as organochlorine compound  . It is also related to or classified as organic heterotricyclic compound , aromatic ether , depsidones .
The molecule COC1=C2C=COC2=NC3=C1C=CC=C3O is a quinoline alkaloid that is furo[2,3-b]quinoline substituted by a methoxy and a hydroxy group at positions 4 and 8 respectively. It has a role as a metabolite. It is a quinoline alkaloid, an organic heterotricyclic compound, a cyclic ether, a member of phenols and an aromatic ether.
The molecule O=C(CCCCCCCC)CCC1=CC(OC)=C(O)C=C1 O=C(CCCCCCCC)CCC1=CC(OC)=C(O)C=C1 is [7]-Paradol. It is also related to or classified as ketone  .  It is also related to or classified as phenols  . It is also related to or classified as monomethoxybenzene .
The molecule [Cl-].CC(C)[NH2+]CC(O)COc1ccc(CCOCC2CC2)cc1 [Cl-].CC(C)[NH2+]CC(O)COc1ccc(CCOCC2CC2)cc1 is the hydrochloride salt of betaxolol. It has the role of beta-adrenergic antagonist . It has the role of antihypertensive agent . It is also related to or classified as hydrochloride .
The molecule [O-]C(=O)COC1=C(C=CC=C1)C [O-]C(=O)COC1=C(C=CC=C1)C is (2-methylphenoxy)acetate. Its functional parent is phenoxyacetate . It is also related to or classified as monocarboxylic acid anion  .
The molecule C1=C(C(=CC=C1/C=C/CO)O)OC C1=C(C(=CC=C1/C=C/CO)O)OC is A phenylpropanoid that is one of the main monolignols, produced by the reduction of the carboxy functional group in cinnamic acid and the addition of a hydroxy and a methoxy substituent to the aromatic ring. It has the role of pheromone . It has the role of volatile oil component . It has the role of monolignol . It has the role of animal metabolite . It has the role of mouse metabolite . It has the role of plant metabolite . Its functional parent is (E)-cinnamyl alcohol . It is also related to or classified as guaiacols  . It is also related to or classified as phenylpropanoid .
The molecule C1[C@@H](C=C[C@@H]1N2C=NC3=C2N=C(N=C3N4CC(C4)F)N)CO is a 2,6-diaminopurine that is an analogue of abacavir in which the cyclopropylamino group at position 6 of the purine moiety is replaced by a 3-fluoroazetidin-1-yl group. One of a series of synthesised abacavir analogues with antiviral activity found to stimulate IFN-gamma secretion in abacavir-responsive clones. It has a role as an antiviral agent. It derives from an abacavir.
The molecule S(=O)(=O)(OC=1C2=C(O)C=3C(=O)C4=C(O)C=C(O)C=C4C(C3C=C2C=C(C1)O)=O)O S(=O)(=O)(OC=1C2=C(O)C=3C(=O)C4=C(O)C=C(O)C=C4C(C3C=C2C=C(C1)O)=O)O is UCE-1022. It is also related to or classified as quinone  . It is also related to or classified as tetracenes .
The molecule S(O[C@@H]1[C@@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](NC(=O)C)C(O[C@@H]2CO)OC[C@H]3O[C@H](O)[C@H](NC(=O)C)[C@@H](O[C@@H]4O[C@@H]([C@H](O)[C@H](O)[C@H]4O[C@@H]5O[C@H]([C@@H](O)[C@@H](O)[C@@H]5O)C)CO)[C@H]3O)O[C@@H]([C@@H]1O)CO)(O)(=O)=O S(O[C@@H]1[C@@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](NC(=O)C)C(O[C@@H]2CO)OC[C@H]3O[C@H](O)[C@H](NC(=O)C)[C@@H](O[C@@H]4O[C@@H]([C@H](O)[C@H](O)[C@H]4O[C@@H]5O[C@H]([C@@H](O)[C@@H](O)[C@@H]5O)C)CO)[C@H]3O)O[C@@H]([C@@H]1O)CO)(O)(=O)=O is [(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R)-5-Acetamido-6-[[(2R,3R,4R,5R,6S)-5-acetamido-4-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,6-dihydroxyoxan-2-yl]methoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulfate. It is also related to or classified as carbohydrates and carbohydrate derivatives .
The molecule C1=CC(=C(C=C1[N+](=O)[O-])Cl)NS(=O)(=O)C2=CC(=C(C=C2)Cl)C(F)(F)F is a sulfonamide resulting from the formal condensation 4-chloro-3-(trifluoromethyl)benzenesulfonic acid with 2-chloro-4-nitroaniline. A fungicide, it is used to control Plasmodiophora brassicae in brassicas and Polymyxa betae in sugarbeet. It has a role as an antifungal agrochemical. It is a sulfonamide, a C-nitro compound, a member of (trifluoromethyl)benzenes, a member of monochlorobenzenes and a sulfonanilide fungicide.
The molecule O1C(C2(OC(=O)C)C(C(OC2)C3=CC(OC)=C(OC)C=C3)C1)C4=CC(OC)=C(OC5OC(C(O)C(O)C5O)CO)C=C4 O1C(C2(OC(=O)C)C(C(OC2)C3=CC(OC)=C(OC)C=C3)C1)C4=CC(OC)=C(OC5OC(C(O)C(O)C5O)CO)C=C4 is 8-Acetoxy-4'-methoxypinoresinol 4-glucoside. It is also related to or classified as glycoside  . It is also related to or classified as lignan  .
The molecule CC(=O)COP(O)(O)=O CC(=O)COP(O)(O)=O is hydroxyacetone phosphate. Its functional parent is hydroxyacetone . It is a conjugate acid of hydroxyacetone phosphate(2-) . It is also related to or classified as oxoalkyl phosphate .
The molecule CCCN(C)C[C@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)CCCN(C)C)O[C@H](CCCCO1)C)[C@@H](C)CO)C CCCN(C)C[C@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)CCCN(C)C)O[C@H](CCCCO1)C)[C@@H](C)CO)C is 4-(dimethylamino)-N-[(3S,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)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 CCC\C=C\COC(=O)CC(C)C CCC\C=C\COC(=O)CC(C)C is A 2-hexenyl isovalerate in which the double bond adopts a trans-configuration. It has the role of volatile oil component . It has the role of flavouring agent . It has the role of human metabolite . It is also related to or classified as 2-hexenyl isovalerate  .
The molecule OC(=O)C[C@H](CCCNC(=O)C)N OC(=O)C[C@H](CCCNC(=O)C)N is A 6-acetamido-3-aminohexanoic acid in which the chiral centre at position 3 has S-configuration. It has the role of bacterial metabolite . It is also related to or classified as 6-acetamido-3-aminohexanoic acid  .
The molecule [H][C@@]12CCC3=C(CC[C@]4(C)[C@]([H])(CC[C@@]34[H])[C@H](C)CCC=C(C)C)[C@@]1(C)CC[C@H](O)C2 [H][C@@]12CCC3=C(CC[C@]4(C)[C@]([H])(CC[C@@]34[H])[C@H](C)CCC=C(C)C)[C@@]1(C)CC[C@H](O)C2 is zymosterol. It has the role of mouse metabolite . It has the role of Saccharomyces cerevisiae metabolite . It has the role of human metabolite . It is also related to or classified as 3beta-sterol  . It is also related to or classified as cholestanoid .
The molecule [O-]C(=O)C1CCCCN1 [O-]C(=O)C1CCCCN1 is A piperidinecarboxylate that is the  conjugate base of pipecolic acid. It has the role of human metabolite . It is also related to or classified as piperidinecarboxylate .
The molecule C1C(NC=C1O)=O C1C(NC=C1O)=O is A gamma-lactam that is 1,3-dihydro-2H-pyrrol-2-one in which the hydrogen at position 4 has been replaced by a hydroxy group. Despite its simple structure, it was not synthesised until 1972; earlier attempts were later shown to have resulted only in the formation of the isomer 5-imino-4,5-dihydrofuran-3-ol.  It is also related to or classified as enol  . It is also related to or classified as pyrroles , gamma-lactam .
The molecule C[C@@]1([C@@H](N2[C@H](S1(=O)=O)CC2=O)C(=O)[O-])CN3C=CN=N3.[Na+] is an organic sodium salt having tazobactam(1-) as the counterion; used in combination with ceftolozane sulfate for treatment of complicated intra-abdominal infections and complicated urinary tract infections. It has a role as an antimicrobial agent, an antiinfective agent and an EC 3.5.2.6 (beta-lactamase) inhibitor. It contains a tazobactam(1-).
The molecule Oc1cc(O)c2C(=O)C(Oc2c1)=Cc1cc(O)c(O)c(O)c1 Oc1cc(O)c2C(=O)C(Oc2c1)=Cc1cc(O)c(O)c(O)c1 is the 3,4,5-trihydrobenzylidene derivative of 4,6-dihydroxy-1-benzofuran-3(2H)-one. Its glucoside is a significant contributor to the yellow colour of Antirrhinum majus (snapdragon) flowers. It has the role of metabolite . It is also related to or classified as phenols  . It is also related to or classified as 1-benzofurans .
The molecule COC1=CC(=CC(=C1[O-])OC)C2=CC(=O)C3=C(C=C(C=C3O2)O)O is the conjugate base of 3',5'-di-O-methyltricetin arising from selective deprotonation of the 7-OH position; major species at pH 7.3. It is a conjugate base of a 3',5'-di-O-methyltricetin.
The molecule OC[C@H]1O[C@H](OP([O-])([O-])=O)[C@H](O)[C@@H](O)[C@H]1O OC[C@H]1O[C@H](OP([O-])([O-])=O)[C@H](O)[C@@H](O)[C@H]1O is an organophosphate oxoanion arising from deprotonation of the phosphate OH groups of alpha-D-galactose 1-phosphate; major species at pH 7.3. It has the role of Saccharomyces cerevisiae metabolite . It has the role of human metabolite . It is also related to or classified as monosaccharide 1-phosphate(2-)  . It is also related to or classified as organophosphate oxoanion .
The molecule COC1=NC(C)=NC(NC(=O)NS(=O)(=O)C2=CC=CC=C2I)=N1 COC1=NC(C)=NC(NC(=O)NS(=O)(=O)C2=CC=CC=C2I)=N1 is an N-sulfonylurea that is N-carbamoyl-2-iodobenzenesulfonamide bearing a 4-methoxy-6-methyl-1,3,5-triazin-2-yl substituent at position N3. It has the role of herbicide . It is a conjugate acid of iofensulfuron(1-) . It is also related to or classified as organoiodine compound  .  It is also related to or classified as N-sulfonylurea  . It is also related to or classified as methoxy-1,3,5-triazine .
The molecule C1COCCN1C(C2=CC=CO2)C3=C(N4C(=NC=N4)S3)O C1COCCN1C(C2=CC=CO2)C3=C(N4C(=NC=N4)S3)O is 5-[2-furanyl(4-morpholinyl)methyl]-6-thiazolo[3,2-b][1,2,4]triazolol. It is also related to or classified as organic heterobicyclic compound , organonitrogen heterocyclic compound , organosulfur heterocyclic compound .
The molecule CC(=O)N[C@@H](CS)C([O-])=O CC(=O)N[C@@H](CS)C([O-])=O is A monocarboxylic acid anion that is the conjugate base of  N-acetyl-L-cysteine, obtained by deprotonation of the carboxy group; major species at pH 7.3. It has the role of antioxidant . It has the role of antiinfective agent . It has the role of antiviral drug . It has the role of vulnerary . It has the role of antidote to paracetamol poisoning . It has the role of mucolytic . It has the role of human metabolite . It is also related to or classified as monocarboxylic acid anion  .