mingxuzhang/ChEBI-Augmented huggingface dataset:
The molecule <smiles>C\C=C(/C)C(=O)NCC(O)C1=CC(=O)c2nccc3c4ccccc4nc1c23</smiles> is an alkaloid that is an enamide obtained by the formal condensation of tiglic acid with 6-(2-amino-1-hydroxyethyl)-4H-pyrido[2,3,4-kl]acridin-4-one. It is isolated from the Okinawan marine tunicate Cystodytes dellechiajei and exhibits cytotoxicity against human epidermoid carcinoma KB cells. It has the role of metabolite. It has the role of antineoplastic agent. Its functional parent is tiglic acid. It is also related to or classified as secondary carboxamide . It is also related to or classified as alkaloid . It is also related to or classified as secondary alcohol .  It is also related to or classified as enone . It is also related to or classified as enamide . It is also related to or classified as organic heterotetracyclic compound.
The molecule <smiles>O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1C(=O)O)O)O)O)O[C@H]2[C@@H]([C@H]([C@H](O[C@@H]2CO)O[C@H]3[C@@H]([C@H]([C@@H](O[C@H]3C(O)=O)O[C@H]4[C@@H]([C@H]([C@H](O[C@@H]4COS(O)(=O)=O)O[C@H]5[C@@H]([C@H]([C@@H](O[C@H]5C(O)=O)O[C@H]6[C@@H]([C@H]([C@H](O[C@@H]6CO)O[C@H]7[C@@H]([C@H]([C@@H](O[C@@H]7C(O)=O)O[C@H]8[C@@H]([C@H](O[C@@H]8CO)CO)O)O)O)NS(O)(=O)=O)O)OS(O)(=O)=O)O)NS(O)(=O)=O)O)OS(O)(=O)=O)O)NS(O)(=O)=O)O</smiles> is A heparan sulfate octasaccharide with sequence: GlcA-GlcNSO3-IdoA(2-OSO3)-GlcNSO3(6-OSO3)-IdoA(2-OSO3)-GlcNSO3-GlcA-aManR (aManR = 2,5-anhydro-D-mannitol). It is also related to or classified as heparan sulfate octasaccharide, oligosaccharide sulfate, amino octasaccharide.
The molecule <smiles>CCC1=C(NC(=C1C)C(=O)O)CC2=C(C(=C(N2)CC3=C(C(=C(N3)C(=O)O)C)CC)CC)CC</smiles> is a polyalkyl-substituted tripyrrane dicarboxylic acid, a precursor of a porphyrin system. It is a tripyrrane and a dicarboxylic acid.
The molecule <smiles>CC(C)=CC(=O)NCC(O)C1=CC(=O)c2nccc3c4ccccc4nc1c23</smiles> is an alkaloid that is an enamide obtained by the formal condensation of 3-methylbut-2-enoic acid with 6-(2-amino-1-hydroxyethyl)-4H-pyrido[2,3,4-kl]acridin-4-one. It is isolated from the Okinawan marine tunicate Cystodytes dellechiajei and exhibits cytotoxicity against human epidermoid carcinoma KB cells. It has the role of metabolite. It has the role of antineoplastic agent. Its functional parent is 3-methylbut-2-enoic acid. It is also related to or classified as secondary carboxamide . It is also related to or classified as alkaloid . It is also related to or classified as secondary alcohol .  It is also related to or classified as enone . It is also related to or classified as enamide . It is also related to or classified as organic heterotetracyclic compound.
The molecule <smiles>C([C@]1([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)O</smiles> is the alpha anomer of D-fructofuranuronic acid. It derives from an alpha-D-fructofuranose. It is a conjugate acid of an alpha-D-fructuronate.
The molecule <smiles>[O-]Cl(=O)(=O)=O.CN(C)c1ccc2C=c3cc4C(C)=CC(C)(C)[N+](CCCC(O)=O)=c4cc3C(C)(C)c2c1</smiles> is ATTO 635-2. It has the role of fluorochrome. It is also related to or classified as organic heterotetracyclic compound, organic perchlorate salt.
The molecule <smiles>OC[C@H]1O[C@H](OC[C@H]2O[C@H](OC[C@H]3O[C@H](O)[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O</smiles> is A glucotriose consisting of three molecules of alpha-D-glucopyranose joined in a linear sequence by 1->6 glycosidic linkages. It is also related to or classified as glucotriose.
The molecule <smiles>COC(=O)c1ccc(O)c(Oc2cc(ccc2O)C(=O)OC)c1</smiles> is A benzoate ester that is methyl 4-hydroxybenzoate bearing a 2-hydroxy-5-(methoxycarbonyl)phenoxy group at position 3. It is isolated from the rhizomes of Imperata cylindrica and has been found to exhibit inhibitory activity against 5-lipoxygenase. It has the role of EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor. It has the role of plant metabolite. It is also related to or classified as methyl ester . It is also related to or classified as phenols . It is also related to or classified as aromatic ether, benzoate ester.
The molecule <smiles>COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)CO)O)O)O)O)O)O</smiles> is a glycosyloxyflavone that is isorhamnetin substituted at position 7 by a beta-L-glucosyl residue. It has a role as a metabolite. It is a beta-L-glucoside, a glycosyloxyflavone, a monomethoxyflavone, a monosaccharide derivative and a trihydroxyflavone. It derives from a beta-L-glucose and an isorhamnetin.
The molecule <smiles>C(C(CCCCCC(CCCCCC(C(O)=O)(C)C)O)(C)C)(O)=O</smiles> is an alpha,omega-dicarboxylic acid that is pentadecanedioic acid which is substituted by methyl groups groups at positions 2 and 14, and by a hydroxy group at position 8. It is a drug used for the treatment of high LDL cholesterol, which is sometimes referred to as 'bad cholesterol'. It has the role of EC 2.3.3.8 (ATP citrate synthase) inhibitor. It has the role of antilipemic drug. It has the role of prodrug. It is also related to or classified as alpha,omega-dicarboxylic acid.
The molecule <smiles>[H][C@@]12CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@]1([H])CCCN1C(=O)[C@H](CC(C)C)NC(=O)CNC2=O</smiles> is A homodetic cyclic peptide composed of L-alanyl, Lasparaginyl, L-prolylglycyl, L-leucyl, L-prolyl and L-tyrosyl residues linked in a sequence. It is isolated from the seeds of Annona montana and has been shown to exhibit anti-inflammatory activity. It has the role of metabolite. It has the role of anti-inflammatory agent. It is also related to or classified as homodetic cyclic peptide.
The molecule <smiles>OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O</smiles> is dianion of beta-D-fructofuranosyl alpha-D-mannopyranoside 6(F)-phosphate arising from deprotonation of both phosphate OH groups. It is also related to or classified as organophosphate oxoanion.
The molecule <smiles>CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)OS(=O)(=O)[O-])O[C@H]2[C@@H]([C@H](C=C(O2)C(=O)[O-])O)O</smiles> is a carbohydrate acid derivative anion resulting from the removal of a proton from the carboxy and sulfate groups of 2-acetamido-2-deoxy-3-O-(4-deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-4-O-sulfo-beta-D-galactopyranose arising from deprotonation of carboxylic acid and sulfate functions.
The molecule <smiles>[H][C@@]12CCCN1C(=O)[C@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@]([H])(NC2=O)[C@@H](C)O)C(C)C</smiles> is A homodetic cyclic peptide composed of L-asparaginyl, L-phenylalanyl, L-prolyl, L-threonyl, L-histidyl and L-valyl residues linked in a sequence. It is isolated from the seeds of Annona montana and has been shown to exhibit anti-inflammatory activity. It has the role of metabolite. It has the role of anti-inflammatory agent. It is also related to or classified as homodetic cyclic peptide.
The molecule <smiles>Oc1nc2ccccc2s1</smiles> is benzothiazole substituted with a hydroxy group at the 2-position. It is also related to or classified as benzothiazole .
The molecule <smiles>CCCCC/C=C\\C=C\\C(C/C=C\\C/C=C\\CCCC(=O)O)O</smiles> is a HETE that is (5Z,8Z,12E,14Z)-icosa-5,8,12,14-tetraenoic acid substituted at position 11 by a hydroxy group. It has a role as a mouse metabolite. It derives from an icosa-5,8,12,14-tetraenoic acid. It is a conjugate acid of an 11-HETE(1-).
The molecule <smiles>[H][C@@]12CCCN1C(=O)[C@@]([H])(NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC2=O)[C@@H](C)O</smiles> is A  homodetic cyclic peptide composed of L-alanyl, L-tryptophyl, L-threonyl, L-prolylglycyl, L-leucyl and L-asparaginyl residues linked in a sequence. It is isolated from the seeds of Annona montana and has been shown to exhibit anti-inflammatory activity. It has the role of metabolite. It has the role of anti-inflammatory agent. It is also related to or classified as homodetic cyclic peptide.
The molecule <smiles>CC(CC/C=C(/C)\\CC/C=C(\\C)/CC/C=C(\\C)/CCC=C(C)C)CCOP(=O)([O-])OC1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O</smiles> is conjugate base of dolichyl D-mannosyl phosphate arising from deprotonation of the free OH group of the phosphate. It is a conjugate base of a dolichyl D-mannosyl phosphate.
The molecule <smiles>[H]C(=O)CCC[NH2+]CCC[NH3+]</smiles> is dication of N-(3-aminopropyl)-4-aminobutanal arising from protonation of both nitrogens. It is a conjugate acid of N-(3-aminopropyl)-4-aminobutanal. It is also related to or classified as ammonium ion derivative.
The molecule <smiles>COC1Oc2cc(\C=C\C)oc(=O)c2-c2c(O)c(O)c(OC)c(C=O)c12</smiles> is Pulvinatal. It has the role of metabolite. It is also related to or classified as phenols . It is also related to or classified as methoxybenzenes.
The molecule <smiles>C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)NC3=C(ON=C3C)C)C(=O)N(C[C@H]1OC)C)C)CC4CC4</smiles> is 1-[(5S,6R,9R)-8-(cyclopropylmethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-(3,5-dimethyl-4-isoxazolyl)urea. It is also related to or classified as lactam . It is also related to or classified as azamacrocycle.
The molecule <smiles>C[C@@]1(CC[C@H]2C(=C[C@@H]3[C@@H]4[C@@]2(CCC[C@@]4(C(=O)O3)C)C)C1)CCOS(=O)(=O)O</smiles> is an organic heterotetracyclic compound that is isopimarane in which a hydrogen at position 2 of the 13-ethyl substituent has been replaced by a (sulfooxy) group, a double bond has been introduced at the 7-8 position, and the beta-methyl group at position 4 has been oxidised to the corrsponding carboxy group and coupled to position 6 to give a gamma-lactone. Isolated from an avendophytic fungus, Xylaria sp. YM 311647, obtained from Azadirachta indica, it shows potent inhibitory activity against C. albicans and Pyricularia oryzae. It has a role as an antifungal agent and a fungal metabolite. It is a diterpene, a gamma-lactone, an organic sulfate, an organic heterotetracyclic compound and an isopimarane diterpenoid.
The molecule <smiles>COc1c(O)c(O)c-2c(C(OC(C)C)Oc3cc(oc(=O)c-23)\C=C\C)c1C=O</smiles> is an organic heterotricyclic compound that is 1H,6H-pyrano[4,3-c]isochromene-7-carbaldehyde substituted by hydroxy groups at positions 9 and 10, methoxy group at position 8, oxo group at position 1, a propan-2-yloxy group at position 6 and a propenyl group at position 3. It is isolated from the fermented mushroom Cyathus stercoreus and exhibits radical scavenging activities. It has the role of radical scavenger. It has the role of fungal metabolite. It is also related to or classified as delta-lactone . It is also related to or classified as polyketide .   It is also related to or classified as arenecarbaldehyde . It is also related to or classified as polyphenol, organic heterotricyclic compound, aromatic ether, cyclic ether.
The molecule <smiles>[O-]Cl(=O)(=O)=O.CN(C)c1ccc2C=c3cc4CCC[N+](CCCC(O)=O)=c4cc3C(C)(C)c2c1</smiles> is ATTO 610-2. It has the role of fluorochrome. It is also related to or classified as organic heterotetracyclic compound, organic perchlorate salt.
The molecule <smiles>CC(C)(C1=CC(=C(C(=C1)Br)O)Br)C2=CC(=C(C(=C2)Br)O)Br</smiles> is a bromobisphenol that is 4,4'-methanediyldiphenol in which the methylene hydrogens are replaced by two methyl groups and the phenyl rings are substituted by bromo groups at positions 2, 2', 6 and 6'. It is a brominated flame retardant. It has a role as a flame retardant. It derives from a bisphenol A.
The molecule <smiles>COc1c(O)c(O)c-2c(C(O)Oc3cc(\C=C\C)oc(=O)c-23)c1C=O</smiles> is an organic heterotricyclic compound that is 1H,6H-pyrano[4,3-c]isochromene-7-carbaldehyde substituted by hydroxy groups at positions 6, 9 and 10, methoxy group at position 8, oxo group at position 1 and a propenyl group at position 3. It is isolated from the fermented mushroom Cyathus stercoreus and exhibits radical scavenging activities. It has the role of radical scavenger. It has the role of fungal metabolite. It is also related to or classified as delta-lactone . It is also related to or classified as polyketide .   It is also related to or classified as arenecarbaldehyde . It is also related to or classified as polyphenol, organic heterotricyclic compound, aromatic ether, cyclic ether.
The molecule <smiles>CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@@H]([C@@H](CN(C2=O)C)OC)C)C)C</smiles> is N-[(4R,7S,8S)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide. It is also related to or classified as lactam . It is also related to or classified as azamacrocycle.
The molecule <smiles>CC(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)[C@H](C(=O)NCCC(=O)NCCSC(=O)/C=C\\CCC(=O)O)O</smiles> is a cis-2-enoyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the enoic carboxy group of (Z)-hex-2-enedioic acid. It is a cis-2-enoyl-CoA and a monounsaturated fatty acyl-CoA. It derives from a 2-hexenedioic acid. It is a conjugate acid of a (Z)-2,3-dehydroadipyl-CoA(5-).
The molecule <smiles>COc1c(O)c(O)c-2c(COc3cc(\C=C\C)oc(=O)c-23)c1C=O</smiles> is an organic heterotricyclic compound that is 1H,6H-pyrano[4,3-c]isochromene-7-carbaldehyde substituted by hydroxy groups at positions 9 and 10, methoxy group at position 8, oxo group at position 1 and a propenyl group at position 3. It is isolated from the fermented mushroom Cyathus stercoreus and exhibits radical scavenging activities. It has the role of radical scavenger. It has the role of fungal metabolite. It is also related to or classified as delta-lactone . It is also related to or classified as polyketide .   It is also related to or classified as arenecarbaldehyde . It is also related to or classified as polyphenol, organic heterotricyclic compound, aromatic ether, cyclic ether.
The molecule <smiles>CC(=CC1C(C1(C)C)C(=O)OCC2=COC(=C2)CC3=CC=CC=C3)C</smiles> is a member of furans and a cyclopropanecarboxylate ester. It has a role as a pyrethroid ester insecticide and an agrochemical. It derives from a chrysanthemic acid.
The molecule <smiles>C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)CC3=CC=CC=C3)C(=O)N(C[C@H]1OC)C)C)C(=O)C</smiles> is N-[(4S,7R,8S)-5-acetyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-phenylacetamide. It is also related to or classified as lactam . It is also related to or classified as azamacrocycle.
The molecule <smiles>CCCCc1ccc(CCNC(=O)\C=C\c2ccc(O)c(OC)c2)cc1</smiles> is an enamide obtained by the formal condensation of ferulic acid with 2-(4-butylphenyl)ethanamine. It is isolated from Cuscuta reflexa and displays strong inhibitory activity against alpha-glucosidase (EC 3.2.1.20). It has the role of EC 3.2.1.20 (alpha-glucosidase) inhibitor. It has the role of plant metabolite. Its functional parent is trans-ferulic acid. It is also related to or classified as guaiacols . It is also related to or classified as secondary carboxamide . It is also related to or classified as enamide .
The molecule <smiles>[N-]=[N+]=CC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)OCC1=CC=CC=C1</smiles> is A diazo compound that is L-phenylalanyl-L-phenylalanine in which the amino group is protected by a (benzyloxy)carbonyl group and the carboxy group is substituted by a diazoacetyl group. It is a cathepsin L inhibitor. It has the role of cathepsin L (EC 3.4.22.15) inhibitor. It is also related to or classified as secondary carboxamide . It is also related to or classified as carboxylic ester . It is also related to or classified as diazo compound, L-phenylalanine derivative.
The molecule <smiles>C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(CO)O)CCC4=CC(=O)CC[C@]34C</smiles> is a 3-oxo Delta(4)-steroid that is pregn-4-en-3-one carrying two hydroxy substituents at positions 20 and 21. It has a role as a bacterial xenobiotic metabolite, an Escherichia coli metabolite and an EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor. It is a 3-oxo-Delta(4) steroid, a 20-hydroxy steroid and a 21-hydroxy steroid. It derives from a hydride of a pregnane.
The molecule <smiles>OC[C@H]1O[C@@H](O[C@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O</smiles> is A beta-D-galactopyranosyl-(1->4)-D-galactopyranose with a beta-configuration at the reducing-end anomeric centre. It has the role of bacterial metabolite. It is also related to or classified as beta-D-galactopyranosyl-(1->4)-D-galactopyranose .
The molecule <smiles>COc1ccc(CCNC(=O)\C=C\c2ccc(O)c(O)c2)cc1</smiles> is an enamide obtained by the formal condensation of 4-methoxyphenylethylamine with trans-caffeic acid. It is isolated from Cuscuta reflexa and displays strong inhibitory activity against alpha-glucosidase (EC 3.2.1.20). It has the role of metabolite. It has the role of EC 3.2.1.20 (alpha-glucosidase) inhibitor. Its functional parent is trans-caffeic acid. Its functional parent is 4-methoxyphenylethylamine. It is also related to or classified as secondary carboxamide .  It is also related to or classified as catechols . It is also related to or classified as enamide . It is also related to or classified as monomethoxybenzene.
The molecule <smiles>C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)F)C(=O)N(C[C@H]1OC)C)C)C(=O)C4=NC=CN=C4</smiles> is 1-(4-fluorophenyl)-3-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[oxo(2-pyrazinyl)methyl]-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 <smiles>CCC(=O)O[C@@H]1[C@@H]([C@@H]([C@H](C2=CC(=C(C(=C2C3=C(C4=C(C=C13)OCO4)OC)OC)OC)OC)OC(=O)C)C)C</smiles> is a lignan with a dibenzocyclooctadiene skeleton isolated from Kadsura ananosma. It has a role as a plant metabolite. It is an acetate ester, an aromatic ether, a lignan, an organic heterotetracyclic compound, an oxacycle and a propanoate ester.
The molecule <smiles>C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3CCCC3)C(=O)N(C[C@@H]1OC)C)C)C(=O)CC4CC4</smiles> is N-[(5R,6R,9R)-8-(2-cyclopropyl-1-oxoethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopentanecarboxamide. It is also related to or classified as lactam . It is also related to or classified as azamacrocycle.
The molecule <smiles>CC(O)CC(=O)Oc1c(OC(=O)CCc2ccccc2)c(-c2ccc(O)cc2)c(OC(C)=O)c(OC(C)=O)c1-c1ccc(O)cc1</smiles> is A para-terphenyl that consists of 1,4-diphenylbenzene substituted by acetyloxy groups at positions 5' and 6', hydroxy groups at positions 4 and 4'', a (3-phenylpropanoyl)oxy group at position 3' and a (3-hydroxybutanoyl)oxy group at position 2'. It is isolated from the fruit body of the mushroom Paxillus curtisii and exhibits radical scavenging activity. It has the role of metabolite. It has the role of radical scavenger. Its functional parent is 3-hydroxybutyric acid. It is also related to or classified as phenols . It is also related to or classified as acetate ester . It is also related to or classified as para-terphenyl.
The molecule <smiles>S(OC=1C=C2O[C@@H]([C@H](O)CC2=C(O)C1)C3=CC(OC)=C(O)C=C3)(O)(=O)=O</smiles> is 3'-methylepicatechin-7-sulfate. Its functional parent is (-)-epicatechin. It is also related to or classified as catechin .
The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCCCCCCC/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</smiles> is a 2,3-trans-enoyl CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of trans-2-triacontenoyl-CoA; major species at pH 7.3. It is a conjugate base of a trans-2-triacontenoyl-CoA.
The molecule <smiles>CC(O)CC(=O)Oc1c(OC(=O)CC(C)OC(C)=O)c(-c2ccc(O)cc2)c(OC(C)=O)c(OC(=O)CC(C)OC(C)=O)c1-c1ccc(O)cc1</smiles> is A para-terphenyl that consists of 1,4-diphenylbenzene substituted by acetyloxy group at position 3', hydroxy groups at positions 4 and 4'' a (3-hydroxybutanoyl)oxy group at position 6' and [3-(acetyloxy)butanoyl]oxy groups at positions 2' and 5' respectively. It is isolated from the fruit body of the mushroom Paxillus curtisii and exhibits radical scavenging activity. It has the role of metabolite. It has the role of radical scavenger. Its functional parent is 3-hydroxybutyric acid. It is also related to or classified as phenols . It is also related to or classified as acetate ester . It is also related to or classified as para-terphenyl.
The molecule <smiles>C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=C(NC3=O)N)COP(=O)(O)O[C@H]4C[C@@H](O[C@@H]4COP(=O)(O)O[C@H]5C[C@@H](O[C@@H]5COP(=O)(O)O[C@H]6C[C@@H](O[C@@H]6COP(=O)(O)O[C@H]7C[C@@H](O[C@@H]7COP(=O)(O)O[C@H]8C[C@@H](O[C@@H]8COP(=O)(O)O[C@H]9C[C@@H](O[C@@H]9COP(=O)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O[C@H]1C[C@@H](O[C@@H]1CO)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)O</smiles> is a 24-residue single-stranded DNA oligonucleotide consisting of an alternating sequence of deoxycytidine and deoxyguanosine residues, all connected by 3'->5' phosphodiester linkages. It forms one strand of the double-stranded DNA oligonucleotide [d(C-G).d(C-G)]12 [synonym d(CG/GC)12].
The molecule <smiles>CC(=O)Oc1c(OC(C)=O)c(-c2ccc(O)cc2)c(OC(=O)CCc2ccccc2)c(OC(C)=O)c1-c1ccc(O)cc1</smiles> is A para-terphenyl that consists of 1,4-diphenylbenzene substituted by acetyloxy groups at positions 3', 5' and 6', hydroxy groups at positions 4 and 4'' and a (3-phenylpropanoyl)oxy group at position 2'. It is isolated from the fruit body of the mushroom Paxillus curtisii and exhibits radical scavenging activity. It has the role of metabolite. It has the role of radical scavenger. It is also related to or classified as phenols . It is also related to or classified as acetate ester . It is also related to or classified as 3-phenylpropionate ester, para-terphenyl.
The molecule <smiles>C1CN(CCN1CCCCC2=CNC3=C2C=C(C=C3)C#N)C4=CC5=C(C=C4)OC(=C5)C(=O)N</smiles> is a 1-benzofuran that is 5-(piperazin-1-yl}-1-benzofuran-2-carboxamide having a (5-cyanoindol-3-yl)butyl group attached at position N-4 on the piperazine ring. Used for the treatment of major depressive disorder. It has a role as an antidepressant, a serotonergic agonist and a serotonin uptake inhibitor. It is a member of indoles, a nitrile, a N-arylpiperazine, a N-alkylpiperazine, a member of 1-benzofurans and a monocarboxylic acid amide. It is a conjugate base of a vilazodone(1+).
The molecule <smiles>[O-]Cl(=O)(=O)=O.CN(C)c1ccc2C=c3cc4CCC[N+](CCCC(=O)NCCN5C(=O)C=CC5=O)=c4cc3C(C)(C)c2c1</smiles> is ATTO 610-4. Its functional parent is ATTO 610-2. It is also related to or classified as dicarboximide .
The molecule <smiles>CC(=O)Oc1c(OC(C)=O)c(-c2ccc(O)cc2)c(OC(=O)c2ccccc2)c(OC(C)=O)c1-c1ccc(O)cc1</smiles> is A para-terphenyl that consists of 1,4-diphenylbenzene substituted by acetyloxy groups at positions 3', 5' and 6', hydroxy groups at positions 4 and 4'' and a benzyloxy group at position 2'. It is isolated from the fruit body of the mushroom Paxillus curtisii and exhibits radical scavenging activity. It has the role of metabolite. It has the role of radical scavenger. It is also related to or classified as phenols .  It is also related to or classified as acetate ester . It is also related to or classified as benzoate ester, para-terphenyl.