mingxuzhang/ChEBI-Augmented huggingface dataset:
The molecule <smiles>C[C@H](O)[C@H](O)C(=O)COC(=O)c1c(C)cc(O)cc1O</smiles> is A benzoate ester obtained by the formal condensation of o-orsellinic acid with (3S,4S)-1,3,4-trihydroxypentan-2-one. It has been isolated from Chaetomium globosum. It has the role of Chaetomium metabolite. It is also related to or classified as secondary alpha-hydroxy ketone . It is also related to or classified as resorcinols, benzoate ester.
The molecule <smiles>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)CC3=CC=C(C=C3)C(=O)O</smiles> is 4-[[[(3S,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-methylamino]methyl]benzoic acid. It is also related to or classified as lactam . It is also related to or classified as azamacrocycle.
The molecule <smiles>CC(=CCC1=C(C=CC2=C1OC=C(C2=O)C3=CC=C(C=C3)O)O)C</smiles> is a 7-hydroxyisoflavone that is daidzein in which the aromatic hydrogen at position 8 has been replaced by a prenyl group. It has a role as a plant metabolite. It is a member of 7-hydroxyisoflavones, a polyphenol and an olefinic compound. It derives from a daidzein.
The molecule <smiles>COc1c(O)cc(cc1CC=C(C)C)[C@@H]1CC(=O)c2ccc(O)cc2O1</smiles> is A dihydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 7 and 3', a methoxy group at position 4' and a prenyl group at position 5'. Isolated from Erythrina latissima, it exhibits antimicrobial and radical scavenging activities. It has the role of antimicrobial agent. It has the role of radical scavenger. It has the role of plant metabolite. Its functional parent is (2S)-flavanone. It is also related to or classified as 4'-methoxyflavanones . It is also related to or classified as monomethoxyflavanone, dihydroxyflavanone, 3'-hydroxyflavanones.
The molecule <smiles>[C@H]([C@@H]([C@@H](C(=O)[O-])O)O)([C@H](C(=O)[O-])O)O</smiles> is dicarboxylate anion of D-glucaric acid; major species at pH 7.3. It has a role as a human metabolite. It is a conjugate base of a D-glucarate(1-).
The molecule <smiles>CC1=CC(=CC(=C1N2C(=O)C(C(=N2)C)N=NC3=C(C=CC(=C3)S(=O)(=O)CCOS(=O)(=O)[O-])OC)Cl)S(=O)(=O)[O-].[Na+].[Na+]</smiles> is a organic sodium salt that is the disodium salt of an azo-substituted pyrazolinone sulfonic acid compound. It has a role as a dye. It is a member of pyrazoles, an azo compound and an organic sodium salt.
The molecule <smiles>C[C@H](O)CC(=O)COC(=O)c1c(C)cc(O)cc1O</smiles> is A benzoate ester obtained by the formal condensation of o-orsellinic acid with (4S)-1,4-dihydroxypentan-2-one. Isolated from Chaetomium globosum, it exhibits cytotoxic activity towards cancer cell lines. It has the role of metabolite. It has the role of antineoplastic agent. It has the role of Chaetomium metabolite. Its functional parent is o-orsellinic acid. It is also related to or classified as resorcinols, benzoate ester.
The molecule <smiles>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)C3=CC=CC=C3</smiles> is 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-methylbenzamide. It is also related to or classified as lactam . It is also related to or classified as azamacrocycle.
The molecule <smiles>CN(C1=CC=C(C2=NON=C12)[N+](=O)[O-])[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCNC(=O)CCCCC3C4C(CS3)NC(=O)N4)C(=O)NCCC(=O)O</smiles> is a tetrapeptide comprising in sequence an alpha-aspartyl residue, two lysyl residues and a beta-alanyl residue, to the nitrogen of the aspartyl residue of which are linked both a methyl group and a 7-nitro-2,1,3-benzoxadiazol-4-yl moiety, while the epsilon nitrogen of the lysyl(II) residue carries a biotin moiety. It is used a peptide probe, with the biotin moiety finding application in immunoassays. It has a role as a peptide probe and a peptide allergen.
The molecule <smiles>CC1(C)Oc2c(O)cc(cc2C=C1)-c1coc2cc(O)ccc2c1=O</smiles> is A member of the class of 7-hydroxyisoflavones that is isoflavone with hydroxy groups at C-7 and C-3' positions and a 2,2-dimethylpyran ring fused to ring B across positions C-4' and C-5'. Isolated from the stem wood of Erythrina latissima, it exhibits antimicrobial and radical scavenging activities. It has the role of metabolite. It has the role of antimicrobial agent. It has the role of radical scavenger. It is also related to or classified as 7-hydroxyisoflavones .
The molecule <smiles>CC(C)(C=C)[C@]12C=C(C(=O)N\\3[C@@]1(NC(=O)/C3=C\\C4=CN=CN4)N(C5=CC=CC=C25)OC)O</smiles> is an indole alkaloid with a heterotetracyclic skeleton isolated from Penicillium oxalicum. It has a role as a Penicillium metabolite. It is an organic heterotetracyclic compound, a member of imidazoles, a lactam, an enol and an indole alkaloid. It derives from a glandicoline B.
The molecule <smiles>COC(=O)C1=C(C2=CC=CC=C2C(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O</smiles> is a member of the class of naphthols that is naphthalen-1-ol substituted by a beta-D-glucopyranosyloxy residue at position 4 and a methoxycarbonyl group at position 2. It has been isolated from the roots of Rubia yunnanensis. It has a role as a metabolite and a plant metabolite. It is an aromatic ester, a member of naphthols, a monosaccharide derivative and a beta-D-glucoside.
The molecule <smiles>C(CCSC)=NO</smiles> is an aliphatic aldoxime resulting from the formal condensation of 3-(methylsulfanyl)propanal with hydroxylamine. It is also related to or classified as aliphatic aldoxime . It is also related to or classified as methyl sulfide .
The molecule <smiles>C\C=C\C(=O)COC(=O)c1c(C)cc(O)cc1O</smiles> is A benzoate ester obtained by the formal condensation of o-orsellinic acid with (3E)-1-hydroxypent-3-en-2-one. Isolated from Chaetomium globosum, it exhibits cytotoxic activity towards cancer cell lines. It has the role of antineoplastic agent. It has the role of Chaetomium metabolite. Its functional parent is o-orsellinic acid. It is also related to or classified as resorcinols, benzoate ester.
The molecule <smiles>N1([C@H]2C(C3=C4C(=CC=C3)NC=C4C2)=CC(C1)=C)C</smiles> is Lysergene. It is also related to or classified as organonitrogen heterocyclic compound, organic heterotetracyclic compound.
The molecule <smiles>C1OCOO1</smiles> is A member of the class of trioxolanes that is cyclopentane in which the carbon atoms at positions 1, 2 and 4 are replaced by oxygen atoms. It is also related to or classified as trioxolane.
The molecule <smiles>COc1c(O)cc(cc1CC=C(C)C)-c1coc2cc(O)ccc2c1=O</smiles> is A member of the class of 7-hydroxyisoflavones in which isoflavone is substituted by hydroxy groups at the 7 and 3' positions, a methoxy group at the 4' position and a prenyl group at position 5'. Isolated from the stem wood of Erythrina latissima, it exhibits antimicrobial and radical scavenging activities. It has the role of metabolite. It has the role of antimicrobial agent. It has the role of radical scavenger. It is also related to or classified as 4'-methoxyisoflavones . It is also related to or classified as 7-hydroxyisoflavones .
The molecule <smiles>C1=CC=C2C(=C1)C=CC3=CC4=CC=CC=C4C=C32</smiles> is an angular ortho-fused polycyclic arene consisting of four fused benzene rings. It is an ortho-fused polycyclic arene and a member of tetraphenes.
The molecule <smiles>COC1=CC=C(C=C1)CC(C#N)/C(=C/C2=CC(=C(C=C2)OC)OC)/C#N</smiles> is a dinitrile that is butanedinitrile substituted by 4-methoxybenzyl and 3,4-dimethoxybenzylidene groups at positions 3 and 2 respectively. Isolated from the culture broth of the fungus Neosartorya fischeri, it exhibits antifungal activity. It has a role as a metabolite and an antifungal agent. It is a member of methoxybenzenes and a dinitrile.
The molecule <smiles>C1=CC(=CC=C1[C@H]2[C@@H](OC3=C(C2=O)C=CC(=C3)O)O)O</smiles> is a hydroxyisoflavanones that is isoflavanone bearing hydroxy groups at the 2, 7 and 4' positions, with R and S configurations at C-2 and C-3 respectively.
The molecule <smiles>C[C@@H]1O[C@@H](CC2Cc3cc(O)cc(O)c3C(=O)O2)CCC1O</smiles> is A member of the class of  isocoumarins that is asperentin substituted by an additional hydroxy group at position 5'. It has been isolated from Chaetomium globosum and Aspergillus flavus. It has the role of Aspergillus metabolite. It has the role of Chaetomium metabolite. Its functional parent is asperentin. It is also related to or classified as pyrans, resorcinols, isocoumarins.
The molecule <smiles>[H][C@@]12COc3c(CC=C(C)C)c(O)ccc3[C@]1([H])Oc1c(CC=C(C)C)c(O)ccc21</smiles> is A member of the class of pterocarpans that is 3,9-dihydroxypterocarpan substituted with prenyl groups at positions 4 and 10 (the 6aR,11aR stereoisomer). Isolated from Erythrina stricta and Erythrina zeyheri, it exhibits antibacterial, antimycobacterial, antiplasmodial and cytotoxic activities. It has the role of antibacterial agent. It has the role of antineoplastic agent. It has the role of antiplasmodial drug. It has the role of plant metabolite. Its functional parent is (6aR,11aR)-3,9-dihydroxypterocarpan. It is also related to or classified as pterocarpans . It is also related to or classified as phenols .
The molecule <smiles>CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC)CO[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)C(=O)[O-])O)O)O)O)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)C[NH3+])O)O)O)O</smiles> is a methyl glycoside that is beta-D-Gal-(1->4)-[beta-D-Gal-(1->4)-beta-D-Glc-(1->6)]-beta-D-GlcNAc in which the CH2OH of the galactose within the trisaccharide chain is replaced by anionic carboxylate, the hydroxy group at position 6 of the galactose residue linked to O-4 of the reducing end glucosaminyl residue is replaced by an ammoniumyl group and the hydroxy group at the reducing-end anomeric centre is methylated. It contains an azaniumyl group. It derives from a beta-D-Galp-(1->4)-[beta-D-Galp-(1->4)-beta-D-Glcp-(1->6)]-beta-D-GlcpNAc.
The molecule <smiles>C[C@H](CN1C=NC2=C(N=CN=C21)N)OC[P@@](=O)(N[C@@H](C)C(=O)OC(C)C)OC3=CC=CC=C3.C[C@H](CN1C=NC2=C(N=CN=C21)N)OC[P@@](=O)(N[C@@H](C)C(=O)OC(C)C)OC3=CC=CC=C3.C(=C/C(=O)O)\\C(=O)O</smiles> is a fumarate salt prepared from tenofovir alafenamide by reaction of one molecule of fumaric acid for every two molecules of tenofovir alafenamide. A prodrug for tenofovir, it is used in combination therapy for the treatment of HIV-1 infection. It has a role as an antiviral drug, a HIV-1 reverse transcriptase inhibitor and a prodrug. It contains a tenofovir alafenamide(1+).
The molecule <smiles>C1C2(CN1C(=O)C3=CC=CC=C3)[C@H]([C@H](N2CC4=C(C=CC(=C4)F)F)CO)C5=CC=CC=C5</smiles> is [(2S,3S)-1-[(2,5-difluorophenyl)methyl]-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]-phenylmethanone. It is also related to or classified as benzenes, ring assembly, azetidines.
The molecule <smiles>[H][C@@]1(CCC[C@H](C)O1)CC1Cc2cc(O)cc(OC)c2C(=O)O1</smiles> is A member of the class of  isocoumarins that is asperentin in which the hydroxy group at position 8 has been replaced by a methoxy group. It is a fungal metabolite isolated from Chaetomium globosum. It has the role of Chaetomium metabolite. Its functional parent is asperentin.  It is also related to or classified as phenols . It is also related to or classified as pyrans, aromatic ether, isocoumarins.
The molecule <smiles>C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)[C@H](C)CO)C)CN(C)CC4CC4</smiles> is N-[(3R,9R,10R)-9-[[cyclopropylmethyl(methyl)amino]methyl]-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-16-yl]benzenesulfonamide. It is also related to or classified as lactam . It is also related to or classified as azamacrocycle.
The molecule <smiles>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)CCC(F)(F)F</smiles> is N-[[(3R,9R,10R)-16-(dimethylamino)-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-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 <smiles>C1C[C@]2(CC[C@@]1(CC(NCC(N)(C)C)=O)[H])OC3(OO2)C4CC5CC3CC(C5)C4.C(=C\C(=O)O)\C(=O)O</smiles> is the maleic acid salt of arterolane. It is an antimalarial drug used as a fixed combination with piperaquine. It has the role of antimalarial. It has the role of antiplasmodial drug. It is also related to or classified as maleate salt.
The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCC/C=C\\C/C=C\\CCCCC</smiles> is a 1-acyl-2-linoleoyl-sn-glycero-3-phosphate in which the 1-acyl group is specified as stearoyl (octadecanoyl). It is a 1-acyl-2-linoleoyl-sn-glycero-3-phosphate and a phosphatidic acid 36:2. It derives from an octadecanoic acid. It is a conjugate acid of a 1-stearoyl-2-linoleoyl-sn-glycero-3-phosphate(2-).
The molecule <smiles>[H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc1cc(O)c2C(=O)C[C@H](Oc2c1)c1ccc(O)c(O)c1</smiles> is A a disaccharide derivative consisting of eriodictyol beta-D-glucoside having a beta-D-glucosyl residue attached at the 2-position. Isolated from the aerial parts of Globularia alypum, it exhibits antioxidant activity. It has the role of antioxidant. It has the role of metabolite. Its functional parent is eriodictyol. It is also related to or classified as 3'-hydroxyflavanones, disaccharide derivative, flavanone glycoside.
The molecule <smiles>C[NH+](C)C</smiles> is an ammonium ion that is the conjugate acid of trimethylamine, obtained via protonation of the nitrogen; major species at pH 7.3. It has a role as a human xenobiotic metabolite. It is a conjugate acid of a trimethylamine.
The molecule <smiles>CCCCCCCCCCCCCCCC(=O)NCC1=CC=CC=C1</smiles> is a macamide resulting from the formal condensation of the carboxy group of hexadecanoic acid with benzylamine. A moderate inhibitor of fatty acid amide hydrolase. It has a role as a neuroprotective agent, a plant metabolite and an EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor. It is a secondary carboxamide and a macamide. It derives from a hexadecanoic acid and a benzylamine.
The molecule <smiles>C12=C(C(=CC=N1)O)C=CC=C2</smiles> is A monohydroxyquinoline carrying a hydroxy group at position 4. It is also related to or classified as monohydroxyquinoline.
The molecule <smiles>COc1cc(O)cc2CC(C[C@H]3CCC(O)[C@H](C)O3)OC(=O)c12</smiles> is A member of the class of  isocoumarins that is asperentin-8-O-methylether substituted by a hydroxy group at position 5'. It has been isolated from  Chaetomium globosum and Aspergillus flavus. It has the role of Aspergillus metabolite. It has the role of Chaetomium metabolite. Its functional parent is asperentin.  It is also related to or classified as phenols . It is also related to or classified as pyrans, aromatic ether, isocoumarins.
The molecule <smiles>O([C@H]1[C@H](O)[C@@H](O)[C@@H](OC1)O)[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O</smiles> is A glycosylxylose consisting of beta-D-glucopyranuronic acid and beta-D-xylopyranose joined in sequence by a (1->4) glycosidic bond. It is also related to or classified as glucosiduronic acid, monocarboxylic acid, glycosylxylose.
The molecule <smiles>Cc1ncc(n1CCOC(=O)c1ccccc1)[N+]([O-])=O</smiles> is A benzoate ester resulting from the formal condensation of benzoic acid with the hydroxy group of metronidazole. It has the role of antimicrobial agent. It has the role of antiparasitic agent. It has the role of antibacterial drug. It has the role of prodrug. It has the role of antitrichomonal drug. Its functional parent is benzoic acid. Its functional parent is metronidazole. It is also related to or classified as benzoate ester.
The molecule <smiles>O=C(O[C@H]1[C@H](O)[C@@H](O)[C@@H](C)C[C@@H]1O)C2=C(O)C=CC=C2C</smiles> is Ampelomin G. Its functional parent is salicylic acid. It is also related to or classified as phenols . It is also related to or classified as benzoate ester.
The molecule <smiles>O[C@@H]1[C@@H](O)[C@@H](O[C@@H]([C@H]1O)C(O)=O)Oc1cc(O)c2C(=O)C[C@@H](Oc2c1)c1ccc(O)c(O)c1</smiles> is A beta-D-glucosiduronic acid that is the 7-O-glucuronide of (2R)-eriodictyol. Isolated from the flowers of Chrysanthemum indicum, it exhibits inhibitory activity for rat lens aldose reductase. It has the role of metabolite. It has the role of EC 1.1.1.21 (aldehyde reductase) inhibitor.  It is also related to or classified as 3'-hydroxyflavonoid . It is also related to or classified as beta-D-glucosiduronic acid.
The molecule <smiles>CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@H](OC([C@@H]([C@H]2O)NC(=O)C)O)CO)CO)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O</smiles> is an amino trisaccharide consisting of alpha-D-mannopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose and 2-acetamido-2-deoxy-D-glucopyranose residues joined in sequence by (1->4) glycosidic bonds. It is an amino trisaccharide, a glucosamine oligosaccharide and a member of acetamides.
The molecule <smiles>C[C@H]1[C@@H](C[C@H]([C@@H](O1)OCCCCCCCCCCCCCCCCCC/C=C/C(=O)O)O)O</smiles> is an omega-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (2E)-21-hydroxyhenicos-2-enoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans. It has a role as a Caenorhabditis elegans metabolite. It is an alpha,beta-unsaturated monocarboxylic acid and an omega-hydroxy fatty acid ascaroside. It derives from a (2E)-21-hydroxyhenicos-2-enoic acid. It is a conjugate acid of an oscr#37(1-).
The molecule <smiles>[H]\C(C)=N/O</smiles> is the (E)-stereoisomer of acetaldehyde oxime. It is also related to or classified as acetaldehyde oxime .
The molecule <smiles>C1CC1C(=O)N2[C@H]([C@H](C23CN(C3)CC4=CN=CN=C4)C5=CC=CC=C5)CO</smiles> is cyclopropyl-[(2R,3R)-2-(hydroxymethyl)-3-phenyl-6-(5-pyrimidinylmethyl)-1,6-diazaspiro[3.3]heptan-1-yl]methanone. It is also related to or classified as benzenes, ring assembly, azetidines.
The molecule <smiles>CC[C@H](C)\C=C(C)\C=C\C1=CC2=C(Cl)C(=O)[C@](C)(O)[C@@H](CC(C)=O)C2=CO1</smiles> is an  azaphilone that is 7,8-dihydro-6H-isochromen-6-one substituted by a chloro group at position 5, a 3,5-dimethylhepta-1,3-dien-1-yl group at position 3, a hydroxy group at position 7, a methyl group at position 7 and a 2-oxopropyl group at position 8. Isolated from Chaetomium cupreum, it exhibits antifungal activity. It has the role of antifungal agent. It has the role of Chaetomium metabolite. It is also related to or classified as tertiary alpha-hydroxy ketone . It is also related to or classified as organochlorine compound .  It is also related to or classified as enone . It is also related to or classified as azaphilone, methyl ketone.
The molecule <smiles>C1CC1CC(=O)N2[C@H]([C@@H](C23CN(C3)C(=O)C4=CC=NC=C4)C5=CC=CC=C5)CO</smiles> is 2-cyclopropyl-1-[(2R,3S)-2-(hydroxymethyl)-6-[oxo(pyridin-4-yl)methyl]-3-phenyl-1,6-diazaspiro[3.3]heptan-1-yl]ethanone. It is also related to or classified as benzenes, ring assembly, azetidines.
The molecule <smiles>CCCCCCCCCCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C</smiles> is an O-acyl-L-carnitine in which the acyl group is specified as palmitoyl (hexadecanoyl). It has a role as an EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor, a human metabolite and a mouse metabolite. It is an O-palmitoylcarnitine and a saturated fatty acyl-L-carnitine. It derives from a hexadecanoic acid.
The molecule <smiles>O[C@@H]1[C@@H](O)[C@@H](O[C@@H]([C@H]1O)C(O)=O)Oc1cc(O)c2C(=O)C[C@H](Oc2c1)c1ccc(O)c(O)c1</smiles> is A beta-D-glucosiduronic acid that is the 7-O-glucuronide of (2S)-eriodictyol. Isolated from the flowers of Chrysanthemum indicum, it exhibits  inhibitory activity for rat lens aldose reductase. It has the role of metabolite. It has the role of EC 1.1.1.21 (aldehyde reductase) inhibitor. Its functional parent is eriodictyol. It is also related to or classified as 4'-hydroxyflavanones . It is also related to or classified as beta-D-glucosiduronic acid, trihydroxyflavanone, 3'-hydroxyflavanones.
The molecule <smiles>CC1=CC(=CC(=C1)OC)OC</smiles> is a member of the class of toluenes that is toluene in which the hydrogens at positions 3 and 5 have been replaced by methoxy groups. It is the major scent compound of many rose varieties. It has a role as a fragrance and a plant metabolite. It is a member of toluenes and a member of methoxybenzenes.
The molecule <smiles>C1=CC(=C2C(=C1)OC3=C(C=CC(=C3C2=O)O)[N+](=O)[O-])O</smiles> is a member of the class of xanthones that is xanthen-9-one substituted at position 4 by a nitro group and at positions 1 and 8 by hydroxy groups. It has a role as a protein kinase inhibitor. It is a member of xanthones, a polyphenol and a C-nitro compound.
The molecule <smiles>CC[C@H](C)\C=C(C)\C=C\C1=CC2=CC3=C(C(C)=O)C(=O)O[C@@]3(C)C(=O)C2=CO1</smiles> is an azaphilone that is 9,9a-dihydro-2H-furo[3,2-g]isochromen-2-one substituted by an acetyl group at position 3, an oxo group  at position 9, a 3,5-dimethylhepta-1,3-dien-1-yl group at position 6 and a methyl group at position 9a. It has been isolated from Chaetomium cupreum and exhibits antifungal activity. It has the role of antifungal agent. It has the role of Chaetomium metabolite.  It is also related to or classified as gamma-lactone .  It is also related to or classified as enone . It is also related to or classified as organic heterotricyclic compound, azaphilone, methyl ketone.
The molecule <smiles>CCN(CC(=O)O)S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F</smiles> is a sulfonamide that is the N-ethyl derivative of perfluorooctane sulfonamidoacetic acid. It has a role as a xenobiotic and an environmental contaminant. It is an organofluorine compound, a monocarboxylic acid and a sulfonamide.
The molecule <smiles>[H][C@@]1(CC[C@]2([H])[C@]1(C)CC[C@]1([H])[C@@]3(C)CC[C@H](O)C[C@@]33OO[C@@]21C=C3)[C@H](C)\C=C\[C@H](C)C(C)C</smiles> is an ergostanoid that is ergosta-6,22-dien-3-ol with a peroxy group between positions 5 and 8 (the 3beta,5alpha,8alpha,22E stereoisomer). Isolated from Ganoderma lucidum and Cordyceps sinensis, it exhibits antimycobacterial, trypanocidal and antineoplastic activities. It has the role of metabolite. It has the role of antineoplastic agent. It has the role of trypanocidal drug. It has the role of antimycobacterial drug. Its functional parent is ergosterol.   It is also related to or classified as 3beta-sterol . It is also related to or classified as organic peroxide, phytosterols, ergostanoid.
The molecule <smiles>CC(=O)N[C@@H]1[C@H]([C@H]([C@H](OC1O)COS(=O)(=O)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O</smiles> is a carbohydrate sulfate that is 2-acetamido-6-O-sulfo-D-galactopyranose in which the hydroxy group at position 3 has been converted into the corresponding beta-D-glucopyranuronoside. It is an amino disaccharide, a carbohydrate acid derivative, a member of acetamides and an oligosaccharide sulfate.
The molecule <smiles>C1=CC(=CC=C1/C=C\\C2=C3[C@@H]([C@H](OC3=CC(=C2)O)C4=CC=C(C=C4)O)C5=CC(=CC(=C5)O)O)O</smiles> is a stilbenoid that is the (+)-cis-stereoisomer of epsilon-viniferin, obtained by cyclodimerisation of cis-resveratrol. It is a member of 1-benzofurans, a polyphenol and a stilbenoid. It derives from a cis-resveratrol. It is an enantiomer of a (-)-cis-epsilon-viniferin.
The molecule <smiles>C[C@@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)C#N)OCC[C@H]3CC[C@@H]([C@@H](O3)CN(C1=O)C)OC)C)OC</smiles> is LSM-38616. It is also related to or classified as lactam . It is also related to or classified as azamacrocycle.
The molecule <smiles>CCC(C)(O)\C=C(C)\C=C\C1=CC2=CC3C(C(C)=O)C(=O)O[C@@]3(C)[C@H](O)C2=CO1</smiles> is an  azaphilone that is 9,9a-dihydro-2H-furo[3,2-g]isochromen-2-one substituted by an acetyl group at position 3, a hydroxy group at position 9 a 5-hydroxy-3,5-dimethylhepta-1,3-dien-1-yl group at position 6 and a methyl group at position 9a. It has been isolated from Chaetomium cupreum. It has the role of Chaetomium metabolite. It is also related to or classified as tertiary alcohol .  It is also related to or classified as gamma-lactone . It is also related to or classified as organic heterotricyclic compound, azaphilone, methyl ketone.