anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CN(C)CCOC1=CC2=CC=CC=C2SC3=C1C=C(C=C3)Cl is a dibenzothiepine and a tertiary amino compound. It has a role as an alpha-adrenergic drug, a serotonergic drug and a second generation antipsychotic.
The molecule S(OC=1C(O)=CC(C=2OC=3C4=C(C2OC5OC(C(O)C(O)C5O)COC6OC(C(O)C(O)C6O)C)C=C(OC4=CC(=O)C3)C)=CC1O)(O)(=O)=O S(OC=1C(O)=CC(C=2OC=3C4=C(C2OC5OC(C(O)C(O)C5O)COC6OC(C(O)C(O)C6O)C)C=C(OC4=CC(=O)C3)C)=CC1O)(O)(=O)=O is [2,6-dihydroxy-4-(7-methyl-11-oxo-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,8-dioxatricyclo[7.3.1.0?,??]trideca-1(12),3,5(13),6,9-pentaen-3-yl)phenoxy]dihydroxyoxo-?-sulfanylium. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule CC1=CC(=C(C=C1C=2C=C(C=C(C2C(=O)O)O)OC)O)O CC1=CC(=C(C=C1C=2C=C(C=C(C2C(=O)O)O)OC)O)O is A carboxybiphenyl that is [biphenyl]-2-carboxylic acid which is substituted by a hydroxy group at positions 3, 4' and 5', methoxy group at position 5 and a methyl group at position 2'. It is a a metabolite isolated from Alternaria  and several other fungal species. It has the role of antifungal agent . It has the role of fungal metabolite .  It is also related to or classified as hydroxybiphenyls  .  It is also related to or classified as catechols  . It is also related to or classified as carboxybiphenyl , polyphenol , aromatic ether .
The molecule [C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O[C@H]2[C@H]([C@@H](O[C@H]([C@H]2O)C)O[C@@H]3[C@H]([C@@H](O[C@@H]([C@H]3O)CO)OCCCCCN)O)OC(=O)C [C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O[C@H]2[C@H]([C@@H](O[C@H]([C@H]2O)C)O[C@@H]3[C@H]([C@@H](O[C@@H]([C@H]3O)CO)OCCCCCN)O)OC(=O)C is A trisaccharide derivative consisting of a beta-D-glucosyl residue glycosidically linked to a 5-aminopentyl group and which carries at O-3 a beta-D-glucosyl-(1->3)-2-O-acetyl-6-deoxy-alpha-L-talosyl disaccharide unit. It is also related to or classified as glycoside  . It is also related to or classified as trisaccharide derivative .
The molecule C(CCC(=O)[O-])CC[NH3+] is zwitterionic form of 6-aminohexanoic acid arising from migration of a proton from the carboxy group to the amino group; major species at pH 7.3. It is a conjugate acid of a 6-aminohexanoate. It is a tautomer of a 6-aminohexanoic acid.
The molecule CC(=O)NC1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O is cytidine in which one of the exocyclic amino hydrogens is substituted by an acetyl group. It has a role as a metabolite. It is a member of cytidines, a member of acetamides and a secondary carboxamide.
The molecule CC[Pb](CC)(CC)CC CC[Pb](CC)(CC)CC is an organolead compound consisting of four ethyl groups joined to a central lead atom. It is also related to or classified as organolead compound .
The molecule CC(=O)C(C)=O CC(=O)C(C)=O is an alpha-diketone that is butane substituted by oxo groups at positions 2 and 3. It is a metabolite produced during the malolactic fermentation. It has the role of Saccharomyces cerevisiae metabolite . It has the role of Escherichia coli metabolite . It is also related to or classified as alpha-diketone .
The molecule C1[C@@H]([C@H](OC2=C1C(=CC(=C2[C@@H]3[C@H]([C@H](OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C(=C6)O)O)O)O is a proanthocyanidin consisting of (-)-epicatechin and (+)-gallocatechin units joined by a (4beta->8)-linkage. It has a role as a metabolite. It is a hydroxyflavan, a proanthocyanidin, a polyphenol and a biflavonoid. It derives from a (-)-epicatechin and a (+)-gallocatechin.
The molecule C(C1CCCCC1)C1=NC=CN=C1 C(C1CCCCC1)C1=NC=CN=C1 is A member of the class of pyrazines that is pyrazine in which one of the hydrogens is replaced by a cyclohexylmethyl group. It has the role of flavouring agent . It has the role of plant metabolite . It is also related to or classified as pyrazines .
The molecule [C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O[C@H]2[C@H]([C@@H](O[C@H]([C@H]2O)C)O[C@@H]3[C@H]([C@@H](O[C@@H]([C@H]3O)CO)OCCCCCN)O)O [C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O[C@H]2[C@H]([C@@H](O[C@H]([C@H]2O)C)O[C@@H]3[C@H]([C@@H](O[C@@H]([C@H]3O)CO)OCCCCCN)O)O is A trisaccharide derivative consisting of a beta-D-glucosyl residue glycosidically linked to a 5-aminopentyl group and which carries at O-3 a beta-D-glucosyl-(1->3)-6-deoxy-alpha-L-talosyl disaccharide unit. It is also related to or classified as glycoside  . It is also related to or classified as trisaccharide derivative .
The molecule C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])SC#N is a thiocyanate compound having a 2,4-dinitrophenyl group attached to the sulfur atom. It has a role as a hapten and a tolerogen. It is a member of thiocyanates and a C-nitro compound.
The molecule COCC(=O)Nc1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)N(C)CC(O)CO)c1I COCC(=O)Nc1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)N(C)CC(O)CO)c1I is A dicarboxylic acid diamide that consists of N-methylisophthalamide bearing three iodo substituents at positions 2, 4 and 6, a methoxyacetyl substituent at position 5 and two 2,3-dihydroxypropyl groups attached to the amide nitrogens. A water soluble x-ray contrast agent for intravascular administration. It has the role of xenobiotic . It has the role of radioopaque medium . It has the role of nephrotoxic agent . It has the role of environmental contaminant . Its functional parent is glycerol . Its functional parent is isophthalamide .  It is also related to or classified as organoiodine compound  . It is also related to or classified as dicarboxylic acid diamide .
The molecule [O-]C(=O)\C=C/C=C(C([O-])=O)C([O-])=O [O-]C(=O)\C=C/C=C(C([O-])=O)C([O-])=O is tricarboxylate anion of 2-carboxylato-cis,cis-muconic acid; major species at pH 7.3. It is also related to or classified as tricarboxylic acid trianion .
The molecule CC1(C)OB(OC1(C)C)C1=CC=C(CN2CCS(=O)(=O)CC2)C=C1 CC1(C)OB(OC1(C)C)C1=CC=C(CN2CCS(=O)(=O)CC2)C=C1 is A member of the class of thiomorpholines that is benzene substituted by (1,1-dioxidothiomorpholin-4-yl)methyl and 4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl groups at positions 1 and 4, respectively.  It is also related to or classified as sulfone  . It is also related to or classified as benzenes , thiomorpholines , boronate ester .
The molecule CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COS(=O)(=O)[O-])O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)OC56C[C@@H]([C@H]([C@@H](O5)[C@@H]([C@@H](CO)O)O)NC6=O)O)O)O)NC(=O)C)O)O)O.[Na+] is a neoglycolipid consisting of a linear pentasaccharide made up from one lactamized sialyl residue, two galactose residues, one N-acetyl-6-sulfonatoglucosamine residue (with associated sodium cation) and one glucose residue, which at the reducing end is attached glycosidically to a 2-(tetradecyl)hexadecyl group. It is a neoglycolipid, an oligosaccharide sulfate and a glycoside. It contains a delta-lactam ring.
The molecule OCCOCn1cc(Cc2cccc(OCc3ccccc3)c2)c(=O)[nH]c1=O OCCOCn1cc(Cc2cccc(OCc3ccccc3)c2)c(=O)[nH]c1=O is A benzyl ether that consists of acyclouridine bearing a 3-(benzyloxy)benzyl substituent at position 5. Its functional parent is uracil . It is also related to or classified as primary alcohol  . It is also related to or classified as hydroxyether  . It is also related to or classified as benzyl ether .
The molecule C=12C=3C(C=CC1)=CC=CC3O[C@@]4(O2)C=C(C([C@@]56[C@@]4(C(CC[C@H]5O)=O)O6)=O)Cl C=12C=3C(C=CC1)=CC=CC3O[C@@]4(O2)C=C(C([C@@]56[C@@]4(C(CC[C@H]5O)=O)O6)=O)Cl is palmarumycin C8. It has the role of antifungal agent . It has the role of fungal metabolite . It is also related to or classified as naphthalenes , organic molecular entity .
The molecule S(O)(=O)(=O)C1=CC=C(C(C)C)C=C1 S(O)(=O)(=O)C1=CC=C(C(C)C)C=C1 is 4-(Propan-2-yl)benzenesulfonic acid. It is also related to or classified as organosulfur compound , sulfonic acid derivative .
The molecule S1C(CSC(C1)(O)C(O)=O)(C(O)=O)O S1C(CSC(C1)(O)C(O)=O)(C(O)=O)O is A member of the class of dithianes that is 1,4-dithiane-2,5-dicarboxylic acid in which the hydrogens at positions 2 and 5 have been replaced by hydroxy groups. Sulfanegen is a prodrug for 3-mercaptopyruvic acid and is an experimental antidote for cyanide poisoning. It has the role of prodrug . It has the role of antidote to cyanide poisoning . It is also related to or classified as dicarboxylic acid , dithianes , monothiohemiketal .
The molecule C[C@H](CCC(=O)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)[C@H]4CC[C@@H]5[C@@]4(CC[C@H]6[C@H]5[C@@H](C[C@H]7[C@@]6(CC[C@H](C7)O)C)O)C is an acyl-CoA(4-) arising from deprotonation of phosphate and diphosphate OH groups of 3alpha,7alpha-dihydroxy-24-oxo-5beta-cholestan-26-oyl-CoA; major species at pH 7.3. It is a conjugate base of a 3alpha,7alpha-dihydroxy-24-oxo-5beta-cholestan-26-oyl-CoA.
The molecule CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)C)O)O)O is an amino trisaccharide consisting of N-acetyl-alpha-D-glucosamine, beta-D-galactose and N-acetyl-D-glucosamine residues all linked sequentially (1->4). It has a role as an epitope. It is an amino trisaccharide and a glucosamine oligosaccharide.
The molecule C1([C@]2([C@@](OC1=O)([C@@](OC2=O)([H])CCCCCC)[H])[H])=C C1([C@]2([C@@](OC1=O)([C@@](OC2=O)([H])CCCCCC)[H])[H])=C is A furofuran that is (3aR,6aR)-hexahydrofuro[3,4-b]furan substituted by an oxo group at positions 2 and 4, methylene group at position 3 and by an hexyl group at position 6. It is a metabolite isolated from several species of fungi. It has the role of antifungal agent . It has the role of fungal metabolite . It is also related to or classified as gamma-lactone  . It is also related to or classified as furofuran .
The molecule N(C([C@@H](N)CC(O)=O)=O)[C@@H](CC1=CC=C(O)C=C1)C(N[C@@H](CCSC)C(NCC(N[C@@H](CC2=CNC3=C2C=CC=C3)C(N[C@@H](CCSC)C(N[C@@H](CC(=O)O)C(N[C@@H](CC4=CC=CC=C4)C(N)=O)=O)=O)=O)=O)=O)=O N(C([C@@H](N)CC(O)=O)=O)[C@@H](CC1=CC=C(O)C=C1)C(N[C@@H](CCSC)C(NCC(N[C@@H](CC2=CNC3=C2C=CC=C3)C(N[C@@H](CCSC)C(N[C@@H](CC(=O)O)C(N[C@@H](CC4=CC=CC=C4)C(N)=O)=O)=O)=O)=O)=O)=O is an eight-membered oligopeptide consisting of Asp, Tyr, Met, Gly, Trp, Met, As and Phe-NH2 residues joined in sequence. It has the role of mouse metabolite . It has the role of human metabolite . It has the role of rat metabolite .  It is also related to or classified as oligopeptide  . It is also related to or classified as peptidyl amide .
The molecule [H]C(=NNC(=O)C1=C(O)C(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O)C1=CC=C(O1)[N+]([O-])=O [H]C(=NNC(=O)C1=C(O)C(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O)C1=CC=C(O1)[N+]([O-])=O is nifursol. It is also related to or classified as carbohydrazide  . It is also related to or classified as dinitrophenol  . It is also related to or classified as nitrofuran antibiotic .
The molecule [He] [He] is helium atom. It is also related to or classified as noble gas atom , s-block element atom .
The molecule CC[C@H]1C(=O)N(CC(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1)[C@@H]([C@H](C)C/C=C/C)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C is a cyclic nonribosomal peptide of eleven amino acids; an immunosuppressant drug widely used in post-allogeneic organ transplant to reduce the activity of the patient's immune system, and therefore the risk of organ rejection. Also causes reversible inhibition of immunocompetent lymphocytes in the G0- and G1-phase of the cell cycle. It has a role as an antifungal agent, an antirheumatic drug, a dermatologic drug, an immunosuppressive agent, a metabolite, a carcinogenic agent, an anti-asthmatic drug, an EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor and an anticoronaviral agent.
The molecule C1(=C2C(C=C(C1=O)OC)(OC(C3=C2C=C(C=C3O)OC)=O)C)O C1(=C2C(C=C(C1=O)OC)(OC(C3=C2C=C(C=C3O)OC)=O)C)O is an organic heterotricyclic compound that is 2,4a-dihydro-6H-benzo[c]chromen-6-one substituted by hydroxy groups at positions 1 and 7, an oxo group at position 2, methoxy groups at positions 3 and 9, and a methyl group at position 4a. It is isolated from Hyalodendriella species. It has the role of antimicrobial agent . It has the role of antifungal agent . It has the role of fungal metabolite . Its functional parent is 6H-dibenzo[b,d]pyran-6-one . It is also related to or classified as delta-lactone  . It is also related to or classified as enol  .   It is also related to or classified as enol ether  . It is also related to or classified as aromatic ether , benzochromene , organic heterotricyclic compound , organic hydroxy compound .
The molecule [C@]12(CC[C@H]([C@@]3(C([C@@]1(C2(C)C)[H])(C(CC3)C)O)[H])C)[H] [C@]12(CC[C@H]([C@@]3(C([C@@]1(C2(C)C)[H])(C(CC3)C)O)[H])C)[H] is A tricyclic sesquiterpenoid obtained by formal hydration across the endocyclic double bond of (-)-alpha-gurjunene. Its functional parent is (-)-alpha-gurjunene .  It is also related to or classified as tertiary alcohol  . It is also related to or classified as sesquiterpenoid , carbotricyclic compound .
The molecule CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)NC(=O)C)O)O)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)O)NC(=O)C)O)O[C@@H]9[C@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[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 is an amino oligosaccharide that is an undecasaccharide derivative consisting of a linear hexasaccharide chain of beta-D-galactose, N-acetyl-beta-D-glucosamine, alpha-D-mannose, beta-D-mannose and two further N-acetyl-beta-D-glucosamine residues linked sequentially (1->3), (1->2), (1->3), (1->4) and (1->4), to the beta-D-mannose residue of which is also linked (1->3) a beta-D-galactosyl-(1->3)-N-acetyl-beta-D-glucosaminyl-(1->2)-[beta-D-galactosyl-(1->3)-N-acetyl-beta-D-glucosaminyl-(1->2)-alpha-D-mannosyl branched pentasaccharide unit. It is an amino oligosaccharide and a glucosamine oligosaccharide.
The molecule CN(C)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C is a quaternary ammonium ion comprising an anilinium ion core having three methyl substituents on the aniline nitrogen, and a 3-[(dimethylcarbamoyl)oxy] substituent at position 3. It is a parasympathomimetic which acts as a reversible acetylcholinesterase inhibitor. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor and an antidote to curare poisoning.
The molecule C1C(O1)CCl.C(CNCCN)N is a high molecular weight copolymer of diethylenetriamine and epichlorohydrin (hydrochloride), with approximately 1 out of 5 amine nitrogens protonated. Due to the highly cross-linked and insoluble nature of the material, no structural formula has been assigned and no specific molecular weight information is available. A basic anion exchange resin, it is used as its hydrochloride for binding bile acids in the intestine, inhibiting their reabsorption. It has a role as an anticholesteremic drug. It is a copolymer macromolecule and a polyamine macromolecule.
The molecule Oc1ccc(CC(=O)C([O-])=O)cc1I Oc1ccc(CC(=O)C([O-])=O)cc1I is A phenylpyruvate derivative having an iodo substituent at the 3-position and a hydroxy substituent at positions 4. Its functional parent is pyruvic acid . It is also related to or classified as organoiodine compound  .
The molecule C1=CC(=CN=C1)C(=O)N is a pyridinecarboxamide that is pyridine in which the hydrogen at position 3 is replaced by a carboxamide group. It has a role as an EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor, a metabolite, a cofactor, an antioxidant, a neuroprotective agent, an EC 3.5.1.98 (histone deacetylase) inhibitor, an anti-inflammatory agent, a Sir2 inhibitor, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite and a mouse metabolite. It is a pyridinecarboxamide and a pyridine alkaloid. It derives from a nicotinic acid.
The molecule C1CCC([C@]2([C@]1([C@@]3([C@@](CC2)(C[C@@](CC3)(C)C=C)O)[H])C)[H])(C)C C1CCC([C@]2([C@]1([C@@]3([C@@](CC2)(C[C@@](CC3)(C)C=C)O)[H])C)[H])(C)C is an isopimarane diterpenoid that is isopimarane in which the ethyl subtituent at position 13 has undergone formal dehydrogenation to the corresponding vinyl group, and in which the hydrogen at position 8 has been replaced by a hydroxy group. It has been found in the leaves of several plants, including Cryptomeria japonica and Isodon rubescens. It has the role of antioxidant . It has the role of volatile oil component . It has the role of plant metabolite .  It is also related to or classified as tertiary alcohol  . It is also related to or classified as isopimarane diterpenoid , carbotricyclic compound , olefinic compound .
The molecule CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)COS(=O)(=O)[O-])OS(=O)(=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](O2)C(=O)[O-])O)O)O is a polysaccharide acid oxoanion arising from global deprotonation of the carboxylic and sulfonic acid groups of the repeating units in dermatan 4',6'-disulfate; major species at pH 7.3. It derives from a dermatan sulfate polyanion and a dermatan 6'-sulfate anion.
The molecule CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CC4=CN=CN4)C(=O)N[C@@H](CC(C)C)C(=O)[O-])NC(=O)[C@H](CC5=CC=C(C=C5)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC[NH+]=C(N)N)NC(=O)[C@H](CC(=O)[O-])[NH3+] is a peptide zwitterion that is the dizwitterionic form of angiotensin I having both carboxy groups deprotonated and the aspartyl amino group and arginine side-chain protonated. It is the major species at pH 7.3. It has a role as a human metabolite. It is a tautomer of an angiotensin I.
The molecule CC(O)(CC(O)=O)CC([O-])=O CC(O)(CC(O)=O)CC([O-])=O is A dicarboxylic acid monoanion resulting from the removal of a proton from one of the carboxylic acid groups of 3-hydroxy-3-methylglutaric acid. It has the role of plant metabolite . It has the role of human metabolite . Its functional parent is glutarate(1-) . It is a conjugate acid of 3-hydroxy-3-methylglutarate(2-) . It is also related to or classified as dicarboxylic acid monoanion .
The molecule CC1Cc2cccc(O)c2C(=O)O1 CC1Cc2cccc(O)c2C(=O)O1 is an isochromane that is 3,4-dihydroisocoumarin bearing methyl and hydroxy substituents at positions 3 and 8 respectively. Its functional parent is isocoumarin . It is also related to or classified as isochromanes .
The molecule [O-]Br(=O)=O [O-]Br(=O)=O is bromate. It is also related to or classified as bromine oxoanion , monovalent inorganic anion .
The molecule [H][C@@]12CC(C)(C)C[C@@H](O)C\C(C)=C1\CC[C@H]2C [H][C@@]12CC(C)(C)C[C@@H](O)C\C(C)=C1\CC[C@H]2C is A bicyclic sesquiterpenoid that is 2,3,5,6,7,8,9,9a-octahydro-1H-cyclopenta[8]annulen-6-ol carrying four additional methyl substiuents at positions 1, 4, 8 and 8. It has the role of bacterial metabolite . It is also related to or classified as homoallylic alcohol  .  It is also related to or classified as secondary alcohol  . It is also related to or classified as sesquiterpenoid , carbobicyclic compound .
The molecule CCCCCC/C=C\\CCCCCCCCCCCC(=O)O is an icosenoic acid having a cis- double bond at position 13. It has a role as a mouse metabolite, a rat metabolite and a plant metabolite.
The molecule O(C(C)C(=O)C)C(=O)C O(C(C)C(=O)C)C(=O)C is Acetoin acetate. It is also related to or classified as ketone  . It is also related to or classified as carboxylic ester  .
The molecule O1C=2C(=C(O)C(OC)=C(OC)C2OC(=O)C(CC)C)C(=O)C(OC)=C1C3=CC=C(O)C=C3 O1C=2C(=C(O)C(OC)=C(OC)C2OC(=O)C(CC)C)C(=O)C(OC)=C1C3=CC=C(O)C=C3 is Pratensin B. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule C1=NC(=NC(=O)N1[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O)N is an N-glycosyl-1,3,5-triazine that is 4-amino-1,3,5-triazin-2(1H)-one substituted by a beta-D-arabinofuranosyl residue via an N-glycosidic linkage. A synthetic analogue of cytosine arabinoside and 5-azacytidine that incorporates structural features of both compounds, it shows good activity against a variety of transplanted tumors. It has a role as an antineoplastic agent. It is a N-glycosyl-1,3,5-triazine and a nucleoside analogue. It derives from a beta-D-arabinofuranose.
The molecule [C@@H]1(N2C(NC(=O)C=C2)=O)O[C@H](COP(OP(O[C@@H]3[C@@H]([C@H]([C@@H](O)[C@H](O3)C([O-])=O)O)NC(C)=O)([O-])=O)([O-])=O)[C@H]([C@H]1O)O [C@@H]1(N2C(NC(=O)C=C2)=O)O[C@H](COP(OP(O[C@@H]3[C@@H]([C@H]([C@@H](O)[C@H](O3)C([O-])=O)O)NC(C)=O)([O-])=O)([O-])=O)[C@H]([C@H]1O)O is major microspecies at pH 7.3. It is also related to or classified as UDP-sugar  . It is also related to or classified as carboxylic acid anion  .
The molecule OC1C(C)OC(C2=C1C=CC=C2O)=O OC1C(C)OC(C2=C1C=CC=C2O)=O is an isochromane that is mellein bearing a hydroxy group at position 4. It has the role of antimicrobial agent . It has the role of antifungal agent . 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 mellein . It is also related to or classified as delta-lactone  . It is also related to or classified as phenols  . It is also related to or classified as isochromanes .
The molecule OC1O[C@@H]([C@@H](O[C@H]2O[C@@H]([C@@H](O[C@H]3O[C@@H]([C@@H](O[C@H]4O[C@@H]([C@@H](O)[C@@H]([C@H]4O)O)CO[C@H]5O[C@@H]([C@@H](O)[C@@H]([C@H]5O)O)CO)[C@@H]([C@H]3O)O)CO)[C@@H]([C@H]2O)O)CO)[C@@H]([C@H]1O)O)CO OC1O[C@@H]([C@@H](O[C@H]2O[C@@H]([C@@H](O[C@H]3O[C@@H]([C@@H](O[C@H]4O[C@@H]([C@@H](O)[C@@H]([C@H]4O)O)CO[C@H]5O[C@@H]([C@@H](O)[C@@H]([C@H]5O)O)CO)[C@@H]([C@H]3O)O)CO)[C@@H]([C@H]2O)O)CO)[C@@H]([C@H]1O)O)CO is alpha-D-Glcp-(1->6)-alpha-D-Glcp-(1->4)-alpha-D-Glcp-(1->4)-alpha-D-Glcp-(1->4)-D-Glcp. Its functional parent is alpha-D-Glcp-(1->4)-alpha-D-Glcp-(1->4)-D-Glcp . It is also related to or classified as glucopentaose .
The molecule S(O)(=O)(=O)C=1C(=CC=CC1)C S(O)(=O)(=O)C=1C(=CC=CC1)C is 2-Methylbenzenesulfonic acid. It is also related to or classified as organosulfur compound , sulfonic acid derivative .
The molecule C1=C(C=C(C(=C1)OC2=CC=C(C(=C2)C(=O)[N-]S(C)(=O)=O)[N+]([O-])=O)Cl)C(F)(F)F.[Na+] C1=C(C=C(C(=C1)OC2=CC=C(C(=C2)C(=O)[N-]S(C)(=O)=O)[N+]([O-])=O)Cl)C(F)(F)F.[Na+] is an organic sodium salt that is the sodium salt of fomesafen. A protoporphyrinogen oxidase inhibitor, it was specially developed for post-emergence control of broad-leaf weeds in soya. It has the role of herbicide . It has the role of agrochemical . It has the role of EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor . It is also related to or classified as organic sodium salt .
The molecule O(C(OC)=O)C(OC)=O O(C(OC)=O)C(OC)=O is Velcorin. Its functional parent is carbonic acid . It is also related to or classified as organooxygen compound .
The molecule C1CCC(CC1)N is a primary aliphatic amine consisting of cyclohexane carrying an amino substituent. It has a role as a human xenobiotic metabolite and a mouse metabolite. It is a conjugate base of a cyclohexylammonium.
The molecule O1C([C@H](O)C(OC(=O)C)[C@H](O)[C@@H]1OC=2C(=O)C=3C(OC2C4=CC=C(O)C=C4)=CC(O[C@@H]5O[C@H]([C@H](O)C(OC(=O)C)C5O)C)=C(OC)C3O)C O1C([C@H](O)C(OC(=O)C)[C@H](O)[C@@H]1OC=2C(=O)C=3C(OC2C4=CC=C(O)C=C4)=CC(O[C@@H]5O[C@H]([C@H](O)C(OC(=O)C)C5O)C)=C(OC)C3O)C is 6-Methoxykaempferol 3,7-bis(3-acetylrhamnoside). It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule C=1(C2=C(C=C(C1Cl)O)OC(C3=C2C=C(C=C3O)OC)=O)C C=1(C2=C(C=C(C1Cl)O)OC(C3=C2C=C(C=C3O)OC)=O)C is A benzochromenone that is 6H-benzo[c]chromen-6-one which is substituted by a methyl group at position 1, chloro group at position 2, hydroxy groups at positions positions 3 and 7, and by a methoxy group at position 9. It has the role of antimicrobial agent . It has the role of antifungal agent . It has the role of fungal metabolite . Its functional parent is 6H-dibenzo[b,d]pyran-6-one . It is also related to or classified as delta-lactone  .   It is also related to or classified as organochlorine compound  . It is also related to or classified as organic hydroxy compound , aromatic ether , benzochromenone .
The molecule O(C(=O)C/C=C\CC)C O(C(=O)C/C=C\CC)C is Methyl (Z)-3-hexenoate. It is also related to or classified as fatty acid methyl ester  .