IDEA-AI4S/PubChemSFT huggingface dataset:
Molecule SMILES: O=C(O)C1=CC(O)C(OS(=O)(=O)O)C(OC2C(COS(=O)(=O)O)OC(OC3C(C(=O)O)OC(OC4C(COS(=O)(=O)O)OC(O)C(NS(=O)(=O)O)C4O)C(OS(=O)(=O)O)C3O)C(NS(=O)(=O)O)C2O)O1

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Provide a brief overview of this molecule <molecule_2d> .

assistant: HP_dp04_0001 is a heparin tetrasaccharide consisting of 4-deoxy-2-O-sulfo-L-threo-hex-4-enopyranuronosyl, 2-deoxy-6-O-sulfo-2-(sulfoamino)-D-glucopyranosyl, 2-O-sulfo-L-idopyranuronosyl and 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose joined in sequence by alpha-(1->4) linkages. Sequence: DUAp2S(1-4)-a-D-GlcNpS6S (1-4)-a-L-IdoAp2S(1-4)-a-D-GlcNpS6S. It is a heparin tetrasaccharide, an amino tetrasaccharide and an oligosaccharide sulfate.
Molecule SMILES: COC1=C(Br)CC2(OC=C1Br)ON=C(C(=O)NCCCOc1c(Br)cc(CCN)cc1Br)C2O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: <molecule_2d> The above is a compound. Could you please tell me something about it?

assistant: (4R,5R)-N-[3-[4-(2-aminoethyl)-2,6-dibromophenoxy]propyl]-7,9-dibromo-4-hydroxy-8-methoxy-1,11-dioxa-2-azaspiro[4.6]undeca-2,7,9-triene-3-carboxamide is a natural product found in Suberea with data available.
Molecule SMILES: CCCC(=O)c1c(O)cc(OCC=C(C)COC(C)=O)cc1O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Describe this molecule: <molecule_2d> .

assistant: [4-(4-Butanoyl-3,5-dihydroxyphenoxy)-2-methylbut-2-enyl] acetate is a natural product found in Helichrysum asperum with data available.
Molecule SMILES: CC(=O)OC1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC2(C)C1(C)O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Tell me something about this molecule: <molecule_2d>

assistant: Acetic acid [(1S)-1-hydroxy-1,10a,12a-trimethyl-8-oxo-2,3,4,4a,4b,5,6,9,10,10b,11,12-dodecahydrochrysen-2-yl] ester is a member of cyclohexenones.
Molecule SMILES: C=C1C2CCC3C4(C)CCCC(C)(C(=O)OC)C4CCC3(C2)C1O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Provide a brief overview of this molecule <molecule_2d> .

assistant: methyl (1R,4S,5R,9S,10S,13R,15S)-15-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate is a natural product found in Baccharis concinna, Helianthus annuus, and Helianthus debilis with data available.
Molecule SMILES: CC12CCC(CC1)C(C)(COC1OC(CO)C(O)C(O)C1O)O2

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Provide a description of this molecule <molecule_2d> .

assistant: 2-[(1,3-Dimethyl-2-oxabicyclo[2.2.2]octan-3-yl)methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol is a natural product found in Zingiber officinale with data available.
Molecule SMILES: C=CC(C)(O)CCC1=C(C)C(O)CC(Br)C1(C)C

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Provide a description of this molecule <molecule_2d> .

assistant: (1R,5R)-5-bromo-3-[(3S)-3-hydroxy-3-methylpent-4-enyl]-2,4,4-trimethylcyclohex-2-en-1-ol is a natural product found in Osmundea hybrida with data available.
Molecule SMILES: CCCCCC=CCC=CCCC=CCCCC(=O)O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: <molecule_2d> The above is a compound. Could you please tell me something about it?

assistant: (5Z,9Z,12Z)-octadecatrienoic acid is an octadecatrienoic acid having three double bonds located at positions 5, 9 and 12 (the all-cis-isomer). It has a role as a plant metabolite and an antineoplastic agent.
Molecule SMILES: CCCCCC=CCC=CCCC=CCCCC(=O)O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: <molecule_2d> The above is a compound. Could you please tell me something about it?

assistant: Columbinic Acid is a polyunsaturated long-chain fatty acid with an 18-carbon backbone and exactly three double bonds, originating from the 6th, 9th and 13th positions from the methyl end.
Molecule SMILES: CCCCCC=CCC=CCCC=CCCCC(=O)O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Describe this molecule: <molecule_2d> .

assistant: Pinolenic acid is a natural product found in Teucrium cubense and Pinus koraiensis with data available.
Molecule SMILES: C=C1C(=O)C2=C(CC(C)(CO)C2)C(C)(O)C12CC2

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Could you give me a brief overview of this molecule <molecule_2d> ?

assistant: (2S,7S)-7-hydroxy-2-(hydroxymethyl)-2,7-dimethyl-5-methylidenespiro[1,3-dihydroindene-6,1'-cyclopropane]-4-one is a natural product found in Coprinopsis atramentaria with data available.
Molecule SMILES: CC1CCC2(C)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(CO)(CO)C5CCC43C)C2C1(C)O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Could you provide a description of this molecule <molecule_2d> ?

assistant: Viburgenin is a natural product found in Rudgea viburnoides with data available.
Molecule SMILES: CC(=O)[CH-]C(C)=O.CC(=O)[CH-]C(C)=O.CC(=O)[CH-]C(C)=O.[Cr+3]

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Provide a description of this molecule <molecule_2d> .

assistant: Tris(acetylacetonato)chromium is a chromium coordination entity.
Molecule SMILES: CON=O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Provide a description of this molecule <molecule_2d> .

assistant: Methyl nitrite appears as a liquid or gas Boils at 10.4 °F. Moderately toxic by inhalation. Narcotic in high concentrations. Used as a rocket propellant. Differs from nitromethane (H3CNO2).
Molecule SMILES: COc1cc(-c2cc(=O)c3c(O)c(O)c(OC)cc3o2)cc(O)c1O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: <molecule_2d> The above is a compound. Could you please tell me something about it?

assistant: 5,6,3',4'-Tetrahydroxy-7,5'-dimethoxyflavone is a natural product found in Lantana trifolia with data available.
Molecule SMILES: CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Please give me some details about this molecule <molecule_2d> .

assistant: Vinorelbine is a semisynthetic vinca alkaloid. Vinorelbine binds to tubulin and prevents formation of the mitotic spindle, resulting in the arrest of tumor cell growth in metaphase. This agent may also interfere with amino acid, cyclic AMP. and glutathione metabolism; calmodulin-dependent Ca++ -transport ATPase activity; cellular respiration; and nucleic acid and lipid biosynthesis.
Molecule SMILES: O=C(C=Cc1ccc(O)cc1)OC1C(OC2C(Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)OC(C(=O)O)C(O)C2OC2OC(C(=O)O)C(O)C(O)C2O)OC(C(=O)O)C(O)C1O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Provide a description of this molecule <molecule_2d> .

assistant: (2S,3S,4S,5R,6R)-6-[(2S,3S,4S,5S,6S)-2-carboxy-5-[(2R,3R,4S,5S,6R)-6-carboxy-4,5-dihydroxy-3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]oxy-3-hydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid is a natural product found in Medicago sativa with data available.
Molecule SMILES: Cc1cn(C2CC(O)C(COP(=O)(O)O)O2)c(=O)[nH]c1=O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Tell me something about this molecule: <molecule_2d>

assistant: DTMP is the neutral species of thymidine 5'-monophosphate (2'-deoxythymidine 5'-monophosphate). It has a role as a fundamental metabolite. It is a conjugate acid of a dTMP(-). It is an enantiomer of a 1-(2-deoxy-5-O-phosphono-beta-L-ribofuranosyl)thymine.
Molecule SMILES: Cc1cn(C2CC(O)C(COP(=O)(O)O)O2)c(=O)[nH]c1=O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Describe this molecule: <molecule_2d> .

assistant: 5-Thymidylic acid. A thymine nucleotide containing one phosphate group esterified to the deoxyribose moiety.
Molecule SMILES: Cc1cn(C2CC(O)C(COP(=O)(O)O)O2)c(=O)[nH]c1=O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Please give me some details about this molecule <molecule_2d> .

assistant: 5-Thymidylic acid is a metabolite found in or produced by Escherichia coli (strain K12, MG1655).
Molecule SMILES: Cc1cn(C2CC(O)C(COP(=O)(O)O)O2)c(=O)[nH]c1=O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: <molecule_2d> The above is a compound. Could you please tell me something about it?

assistant: 5-Thymidylic acid is a metabolite found in or produced by Saccharomyces cerevisiae.
Molecule SMILES: Cc1cn(C2CC(O)C(COP(=O)(O)O)O2)c(=O)[nH]c1=O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Given the molecule <molecule_2d>, what can you tell me about it?

assistant: Thymidine-5'-phosphate is a natural product found in Micromonospora echinospora, Arabidopsis thaliana, and other organisms with data available.
Molecule SMILES: CC1OC(OCC2OC(Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Provide a description of this molecule <molecule_2d> .

assistant: Kaempferol-3-O-(2"-O-beta-D-glucopyl)-beta-D-rutinoside is a natural product found in Hydrangea macrophylla, Styphnolobium japonicum, and Hosta ventricosa with data available.
Molecule SMILES: CC(C)=CCCC(=CCCC1(C)C2=C(C(O)=C(C)C(=O)C2=O)C(O)C2C1CCC2(C)O)C(=O)O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: <molecule_2d> What do you know about the molecule?

assistant: Pycnanthuquinone A is a natural product found in Pycnanthus angolensis with data available.
Molecule SMILES: CC1(O)CC23CCC4C(C)(C(=O)O)CCCC4(C)C2C=CC1C3

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: <molecule_2d> What do you know about the molecule?

assistant: (1S,4R,5R,9R,10S,13S,14R)-14-hydroxy-5,9,14-trimethyltetracyclo[11.2.1.01,10.04,9]hexadec-11-ene-5-carboxylic acid is a natural product found in Helianthus angustifolius and Helianthus argophyllus with data available.
Molecule SMILES: NC(Cc1ccc(O)cc1)C(=O)NC(Cc1ccccc1)C(=O)O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Provide a brief overview of this molecule <molecule_2d> .

assistant: Tyr-Phe is a dipeptide formed from L-tyrosine and L-phenylalanine residues. It has a role as a metabolite.
Molecule SMILES: CC(C)CCCCCCCCCCCC(O)CC(=O)NC1C(OP(=O)(O)O)OC(CO)C(O)C1OC(=O)CC(O)CCCCCCCCCC(C)C

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Provide a brief overview of this molecule <molecule_2d> .

assistant: [(2R,3S,4R,5R,6R)-3-hydroxy-2-(hydroxymethyl)-5-[[(3R)-3-hydroxy-15-methylhexadecanoyl]amino]-6-phosphonooxyoxan-4-yl] (3R)-3-hydroxy-13-methyltetradecanoate is a natural product found in Chryseobacterium scophthalmum with data available.
Molecule SMILES: O=C1OCC(Cc2ccc3c(c2)OCO3)C1Cc1ccc2c(c1)OCO2

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Please give me some details about this molecule <molecule_2d> .

assistant: 3,4-Bis(1,3-benzodioxole-5-ylmethyl)-3,4-dihydro-2(5H)-furanone is a natural product found in Chamaecyparis obtusa, Aristolochia cymbifera, and other organisms with data available.
Molecule SMILES: COC1CC2(CCC(C)(C3CCC(C)(C4OC(C5OC(C)(O)C(C)C(OC)C5C)C(OC)C4C)O3)O2)OC(C(C)C2OC(O)(CC(=O)O)C(C)C(OC)C2C)C1C

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: <molecule_2d> What do you know about the molecule?

assistant: 2-[(2R,3R,4S,5S,6S)-2-hydroxy-6-[(1S)-1-[(2S,5R,7S,8R,9S)-2-[(2R,5S)-5-[(2R,3S,4R,5R)-5-[(2S,3S,4S,5R,6S)-6-hydroxy-4-methoxy-3,5,6-trimethyloxan-2-yl]-4-methoxy-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-7-methoxy-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]ethyl]-4-methoxy-3,5-dimethyloxan-2-yl]acetic acid is a natural product found in Streptomyces ribosidificus with data available.
Molecule SMILES: CCOC12C(O)C(OC)C3(O)CC(C1C3OC(=O)c1ccccc1)C13C(OC)CC(OC(C)=O)C4(COC)CN(CC)C1C2C(OC)C43

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Could you give me a brief overview of this molecule <molecule_2d> ?

assistant: [(1S,2R,3R,4R,5R,6S,7S,8R,9R,10R,13R,14R,16S,17S,18R)-14-acetyloxy-8-ethoxy-11-ethyl-5,7-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate is a natural product found in Aconitum polyschistum with data available.
Molecule SMILES: COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCC[N+]1(O)CCOCC1

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: I'd like a short overview about this molecule <molecule_2d>. Can you do that?

assistant: 4-[3-({4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}oxy)propyl]-4-hydroxymorpholin-4-ium is a member of quinazolines.
Molecule SMILES: Cn1cnc(CCNC(=O)CC2CCC3C(COCC(O)CN3C(=O)Nc3ccc(C(F)(F)F)cc3)O2)c1

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Could you give me a brief overview of this molecule <molecule_2d> ?

assistant: (3S,6aS,8S,10aS)-3-hydroxy-8-[2-[2-(1-methylimidazol-4-yl)ethylamino]-2-oxoethyl]-N-[4-(trifluoromethyl)phenyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide is a member of ureas.
Molecule SMILES: CCCCOCCOCCSC#N

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: I'd like a short overview about this molecule <molecule_2d>. Can you do that?

assistant: 2-(2-butoxyethoxy)ethyl thiocyanate appears as brownish oil or clear yellow liquid. (NTP, 1992)
Molecule SMILES: CC(=O)NC1C(OC2C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C(O)C2OS(=O)(=O)O)OC(CO)C(O)C1OC1OC(CO)C(O)C(OS(=O)(=O)O)C1O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Tell me something about this molecule: <molecule_2d>

assistant: [(2R,3S,4R,5R)-3-[(2S,3R,4R,5R,6R)-3-Acetamido-4-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-sulfooxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl] hydrogen sulfate is an oligosaccharide.
Molecule SMILES: C1=CCCCCCC1

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Please give me some details about this molecule <molecule_2d> .

assistant: Cyclooctene is a natural product found in Aspergillus candidus with data available.
Molecule SMILES: CC1CCC2C(C=CC(C)C2C(=O)c2c(O)c(C3(O)CCC(O)C4OC43)cn(O)c2=O)C1

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Given the molecule <molecule_2d>, what can you tell me about it?

assistant: (+)-N-hydroxyapiosporamide is a natural product found in Coniochaeta cephalothecoides with data available.
Molecule SMILES: O=C(O)C=CC(=CC(=O)O)C(=O)O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Provide a brief overview of this molecule <molecule_2d> .

assistant: 3-carboxy-cis,cis-muconic acid is the 3-carboxy derivative of cis,cis-muconic acid. It is a conjugate acid of a 3-carboxy-cis,cis-muconate(3-).
Molecule SMILES: CC1OC(OC2CCC3(C)C(CCC4(C)C3C=CC35OCC6(CCC(C)(C)CC63)C(=O)CC45C)C2(C)CO)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2O)C1O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Could you give me a brief overview of this molecule <molecule_2d> ?

assistant: (1S,4S,5R,8R,9R,10S,13S,14R,17S,18R)-9-(hydroxymethyl)-10-[(2R,3R,4S,5S,6R)-5-hydroxy-6-methyl-3,4-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-2-one is a natural product found in Clinopodium vulgare with data available.
Molecule SMILES: CC(=O)OC(CC(C)C(C)(C)OC(C)=O)C(C)(O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC21C

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: I'd like a short overview about this molecule <molecule_2d>. Can you do that?

assistant: [(2R,3S,5R)-6-acetyloxy-2-hydroxy-2-[(3R,5S,8R,9S,10S,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-5,6-dimethylheptan-3-yl] acetate is a natural product found in Isis hippuris with data available.
Molecule SMILES: CC(=O)OC1(C(C)=O)CCCCC1

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Describe this molecule: <molecule_2d> .

assistant: 1-Acetylcyclohexyl acetate is a ketone and a carboxylic ester.
Molecule SMILES: CC(=CCCC(C)=CCc1cc(C(=O)O)ccc1N)CCC=C(C)CCC=C(C)CCC(=O)O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Tell me something about this molecule: <molecule_2d>

assistant: 4-Amino-3-(17-carboxy-3,7,11,15-tetramethylheptadeca-2,6,10,14-tetraenyl)benzoic acid is a natural product found in Xanthomonas citri with data available.
Molecule SMILES: COC(=O)C1C(O)CCC2CN3CCc4c([nH]c5cccc(OC)c45)C3CC21

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Please give me some details about this molecule <molecule_2d> .

assistant: 16-epi-Alstovenine is a natural product found in Alstonia venenata with data available.
Molecule SMILES: COc1cccc(-c2ccc(C3C(CO)N4CCCCN(C(=O)c5ccc(F)cc5)CC34)cc2)c1

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Please give me some details about this molecule <molecule_2d> .

assistant: (4-fluorophenyl)-[(8R,9R,10R)-10-(hydroxymethyl)-9-[4-(3-methoxyphenyl)phenyl]-1,6-diazabicyclo[6.2.0]decan-6-yl]methanone is a member of biphenyls.
Molecule SMILES: CC1=CC(=C2C(C)CCC2C(C)CO)OC1=O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Tell me something about this molecule: <molecule_2d>

assistant: Rhodocorane I is a natural product found in Rhodotus palmatus with data available.
Molecule SMILES: COc1cc(C=CC(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O)C(O)C2O)ccc1O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Describe this molecule: <molecule_2d> .

assistant: Arillatose B is a natural product found in Veronica pulvinaris and Polygala arillata with data available.
Molecule SMILES: O=S(=O)(O)Oc1c[nH]c2ccccc12

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: <molecule_2d> What do you know about the molecule?

assistant: Indoxyl sulfate is an aryl sulfate that is indoxyl in which the hydroxyl hydrogen is substituted by a sulfo group. It has a role as a human metabolite. It is a member of indoles and an aryl sulfate. It is functionally related to an indoxyl. It is a conjugate acid of an indoxyl sulfate(1-).
Molecule SMILES: O=S(=O)(O)Oc1c[nH]c2ccccc12

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: I'd like a short overview about this molecule <molecule_2d>. Can you do that?

assistant: Indoxyl sulfate is a natural product found in Isatis tinctoria, Cissus discolor, and other organisms with data available.
Molecule SMILES: O=S(=O)(O)Oc1c[nH]c2ccccc12

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Could you provide a description of this molecule <molecule_2d> ?

assistant: Indoxyl sulfate is a uremic toxin.  Uremic toxins can be subdivided into three major groups based upon their chemical and physical characteristics: 1) small, water-soluble, non-protein-bound compounds, such as urea; 2) small, lipid-soluble and/or protein-bound compounds, such as the phenols and 3) larger so-called middle-molecules, such as beta2-microglobulin. Chronic exposure of uremic toxins can lead to a number of conditions including renal damage, chronic kidney disease and cardiovascular disease.
Indoxyl sulfate is a dietary protein metabolite, and also the metabolite of the common amino acid tryptophan. Indoxyl sulfate is a circulating uremic toxin stimulating glomerular sclerosis and interstitial fibrosis. Indoxyl sulfate is one of the well known substances of a group of protein-bound uremic retention solutes. Indoxyl sulfate increases the rate of progression of renal failure. In plasma, indoxyl sulfate is a protein-bound uremic solute that induces endothelial dysfunction by inhibiting endothelial proliferation and migration in vitro. Some studies suggest that indoxyl sulfate is also involved in oxidative stress. In hemodialyzed patients, serum levels of indoxyl sulfate are associated with levels of pentosidine, a marker of carbonyl and oxidative stress; in vitro, indoxyl sulfate increases reactive oxygen species (ROS) production in tubular cells, and increases NAD(P)H oxidase activity in endothelial cells. Indoxyl sulfate impairs osteoblst function and induces abnormalities of bone turnover. Indoxyl sulfate strongly decreases the levels of glutathione, one of the most active antioxidant systems of the cell. (A3273, A3274, A3275, A3276).
Molecule SMILES: CCCCOC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)OC5OC(CO)C(O)C(O)C5O)CCC34C)C2(C)C)C(OC2OCC(O)C(O)C2O)C(O)C1O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Could you provide a description of this molecule <molecule_2d> ?

assistant: Pseudoginsenoside RT1 butyl ester is a triterpenoid saponin. It has a role as a metabolite.
Molecule SMILES: CC(=O)OCC1(C)CCCC1(C)C1=CCC(C)=CC1

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Could you provide a description of this molecule <molecule_2d> ?

assistant: [(1R,2R)-1,2-dimethyl-2-(4-methylcyclohexa-1,4-dien-1-yl)cyclopentyl]methyl acetate is a natural product found in Tritonia tetraquetra with data available.
Molecule SMILES: CC(=O)NC(CC(=O)OC1CC(C)(C)C2CCC3=C(COC3=O)C2(C)C1)c1ccccc1

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: <molecule_2d> What do you know about the molecule?

assistant: Proversilin C is a natural product found in Aspergillus versicolor with data available.