IDEA-AI4S/PubChemSFT huggingface dataset:
Molecule SMILES: COc1cc(O)c(C(=O)C=Cc2ccc(OC3OC(CO)C(O)C(O)C3O)cc2)c(OC)c1

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: (E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-[4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one is a natural product found in Viscum album with data available.
Molecule SMILES: CCc1oc(=O)c(Cc2c(O)c(C(=O)C(C)CC)c(O)c3c2OC(C)(C)C=C3)c(O)c1C

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: 3-[[5,7-dihydroxy-2,2-dimethyl-6-[(2R)-2-methylbutanoyl]chromen-8-yl]methyl]-6-ethyl-4-hydroxy-5-methylpyran-2-one is a natural product found in Helichrysum mixtum with data available.
Molecule SMILES: CC(C)(O)CCc1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc12

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: Noricaritin is a natural product found in Phellodendron amurense with data available.
Molecule SMILES: CCCSS(=O)CCC

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: S-propyl propanethiosulfinate is a sulfinic acid derivative obtained by formal condensation of propanethiosulfinic acid with propanethiol. It has a role as a plant metabolite, a rat metabolite, an antioxidant and an antibacterial agent. It is a sulfoxide and a sulfinic acid derivative.
Molecule SMILES: CCCSS(=O)CCC

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: 1-Propanesulfinothioic acid, S-propyl ester is a natural product found in Allium ascalonicum, Allium obliquum, and other organisms with data available.
Molecule SMILES: COc1ccc(NC(=O)NC2CCC(CCNC(=O)Nc3cc(F)ccc3F)OC2CO)cc1

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: 1-[(2S,3R,6R)-6-[2-[[(2,5-difluoroanilino)-oxomethyl]amino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(4-methoxyphenyl)urea is a C-glycosyl compound.
Molecule SMILES: CC(=CCCC12C(=O)OC3(O)CC1CC2C3C)C(N)=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: (E)-5-[(1R,2S,5R,6S,7S)-5-hydroxy-6-methyl-3-oxo-4-oxatricyclo[3.3.1.02,7]nonan-2-yl]-2-methylpent-2-enamide is a natural product found in Paraconiothyrium brasiliense with data available.
Molecule SMILES: CC1=CCC(C2=CCC(CO)CC2)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: <molecule_2d> The above is a compound. Could you please tell me something about it?

assistant: [4-(2,2,3-trimethylcyclopent-3-enyl)cyclohex-3-enyl]methanol is a primary alcohol and a cyclohexenylalkanol. It has a role as a fragrance. It contains a campholenic cyclohexenyl group. It derives from a hydride of a cyclopentene.
Molecule SMILES: OCC=CC#CC#CCCCOC1OC(CO)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: Please give me some details about this molecule <molecule_2d> .

assistant: 3-Deoxybidensyneoside C is a natural product found in Bidens parviflora with data available.
Molecule SMILES: C=C1CCC(C)C(C)(C)C1C=CC(C)=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: 4-(2,2,3-Trimethyl-6-methylidenecyclohexyl)but-3-en-2-one is a natural product found in Punica granatum with data available.
Molecule SMILES: COC(=O)C1(C)C(=O)CC(O)C2(C)C1CCC1(C)C2CC=C2C3C(CO)(CCC(C)C3(C)O)CCC21C

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: 1alpha,19alpha,28-Trihydroxy-3-oxours-12-ene-23-oic acid methyl ester is a natural product found in Commiphora kataf with data available.
Molecule SMILES: CC(C)C1=CC2=CCC3C(C)(C(=O)O)CCCC3(C)C2CC1O

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: (1S,4aS,4bS,6R,10aS)-6-hydroxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid is a natural product found in Pinus sylvestris with data available.
Molecule SMILES: O=C(NCCC1CCC(NC(=O)C2CCC2)C(CO)O1)c1cnccn1

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: N-[2-[(2S,5R,6R)-5-[[cyclobutyl(oxo)methyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-2-pyrazinecarboxamide is a C-glycosyl compound.
Molecule SMILES: CC=C(C)C(=O)OC1C2OC(C)C(OC3OC(C)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)C1OC(=O)CCCCCCCCCC(CCCCC)OC1OC(C)C(OC(C)=O)C(OC(C)=O)C1OC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1O2

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: [(1S,3R,4S,5R,6R,8S,10R,11S,12R,13R,15R,17S,29R,30S,31S,33R)-4,5,11,12-tetraacetyloxy-6-(acetyloxymethyl)-13,31-dimethyl-27-oxo-17-pentyl-30-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-methyloxan-2-yl]oxy-2,7,9,14,16,28,32-heptaoxatetracyclo[27.3.1.03,8.010,15]tritriacontan-33-yl] (E)-2-methylbut-2-enoate is a natural product found in Convolvulus scammonia with data available.
Molecule SMILES: COc1cc(O)c2c(=O)c3c([nH]c2c1)CC(O)(C(C)=O)C(=O)C=C3

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: Citropone C is a natural product found in Citrus unshiu, Citrus deliciosa, and Citrus reticulata with data available.
Molecule SMILES: CC(C)C12C=C3CCC4C(C)(C(=O)O)CCCC4(C)C3(CC1)OO2

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: 3H-3,10b-Ethanonaphtho(1,2-c)-1,2-dioxin-7-carboxylic acid, 5,6,6a,7,8,9,10,10a-octahydro-7,10a-dimethyl-3-(1-methylethyl)- is a natural product found in Abies sibirica with data available.
Molecule SMILES: O=C([O-])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: Could you give me a brief overview of this molecule <molecule_2d> ?

assistant: Adipate(1-) is a dicarboxylic acid monoanion that is the conjugate base of adipic acid. It has a role as a human xenobiotic metabolite. It is a conjugate base of an adipic acid. It is a conjugate acid of an adipate(2-).
Molecule SMILES: CC(O)C(O)CC1OCc2c(O)cccc21

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: 1-(1,3-Dihydro-4-hydroxy-1-isobenzofuran is a natural product found in Malbranchea and Cladosporium with data available.
Molecule SMILES: C=C(C)C1CC2=C(O1)C(=O)c1ccccc1C2=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: (2R)-2,3-Dihydro-2-(1-methylethenyl)naphtho[2,3-b]furan-4,9-dione is a natural product found in Radermachera sinica, Newbouldia laevis, and other organisms with data available.
Molecule SMILES: CC1CC(C(=O)NCCCCN=C(N)N)N(C(=O)C(CCc2ccc(O)cc2)NC(=O)C(O)Cc2ccc(O)cc2)C1

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: Spumigin 582b is a natural product found in Nodularia spumigena with data available.
Molecule SMILES: COC1CN(C)C(=O)c2cc(NS(C)(=O)=O)ccc2OCC(C)N(C(=O)NC(C)C)CC1C

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: (4S,7R,8S)-14-(methanesulfonamido)-8-methoxy-4,7,10-trimethyl-11-oxo-N-propan-2-yl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide is an azamacrocycle and a lactam.
Molecule SMILES: COS(=O)(=O)OC1CCC2(C)C3CCC4(C)C(C(C)CCCC(C)CO)C(O)C(O)C4C3CC(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: Could you give me a brief overview of this molecule <molecule_2d> ?

assistant: methyl [(3S,5R,6R,8R,9S,10R,13R,14S,15R,16R,17R)-5,6,15,16-tetrahydroxy-17-[(2R,6S)-7-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] sulfate is a natural product found in Luidia quinaria with data available.
Molecule SMILES: CC(=O)OC1CCC2(C)C(CCC(C)=CCC3=C(O)C=C(C)CC3=O)C(C)=CCC2C1(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: Aszonapyrone C is a natural product found in Aspergillus hiratsukae with data available.
Molecule SMILES: COc1cc(C=CC(=O)C(O)(C(=O)O)C(O)(C(=O)O)C(=O)C=Cc2ccc(O)c(O)c2)ccc1O

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: Caffeoyl-feruloyltartaric acid is a natural product found in Echinodorus grandiflorus and Isodon rubescens with data available.
Molecule SMILES: CC(C)CCCC(C)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C

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: 10,13-Dimethyl-17-(6-methylheptan-2-yl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one is a natural product found in Bugula neritina with data available.
Molecule SMILES: CCCCCCCCCCCCCCCCCCCC(=O)CCCCCCCC=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: 9-Oxooctacosanal is a natural product found in Osmunda regalis with data available.
Molecule SMILES: CC=C(C)C(=O)OCc1cc(=O)c2c(O)c3c(cc2o1)OC(C)(C)C(OC(=O)C1(C)OC1C)C3

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: [(3S)-5-hydroxy-2,2-dimethyl-8-(2-methylbut-2-enoyloxymethyl)-6-oxo-3,4-dihydropyrano[3,2-g]chromen-3-yl] (2S,3S)-2,3-dimethyloxirane-2-carboxylate is a natural product found in Angelica polymorpha with data available.
Molecule SMILES: COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)O)CC3CC1CC(N)C(O)C(C)O1

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: (2R,4S)-4-[[(2S,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-2-oxanyl]methyl]-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracene-2-carboxylic acid is a member of tetracenes and a member of p-quinones.
Molecule SMILES: COC(=O)C1=CCCC2C1(C)CCC(C)C2(C)CCc1ccoc1

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: Hardwickic acid methyl ester is a natural product found in Croton megistocarpus, Echinodorus grandiflorus, and Grangea maderaspatana with data available.
Molecule SMILES: COC(=O)C1=CCCC(C(=O)O)C2(C1)Oc1ccc(O)cc1C2=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: Spiroapplanatumine F is a natural product found in Ganoderma applanatum with data available.
Molecule SMILES: CC1OC(Oc2cc(O)c3c(=O)c(OC4OC(C)C(OC5OC(CO)C(O)C(O)C5O)C(O)C4O)c(-c4ccc(O)cc4)oc3c2)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: 3-(4-O-beta-D-Glucopyranosyl-alpha-L-rhamnopyranosyloxy)-4',5-dihydroxy-7-(alpha-L-rhamnopyranosyloxy)flavone is a natural product found in Cinnamomum osmophloeum and Sinocrassula indica with data available.
Molecule SMILES: CCCOc1ccc(C(=O)N2CCCc3ccccc32)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: 3,4-dihydro-2H-quinolin-1-yl-(4-propoxyphenyl)methanone is a member of quinolines.
Molecule SMILES: CN1C(=CC(=O)Nc2cccc(Cl)c2)C(C)(C)c2ccccc21

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: N-(3-chlorophenyl)-2-(1,3,3-trimethyl-2-indolylidene)acetamide is a member of indoles.
Molecule SMILES: Oc1c(I)cc(I)c(O)c1I

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: Riodoxol is a member of resorcinols.
Molecule SMILES: CC(C)=CCCC(C)=CCN(CCCC(C(=O)OC(C)C(OS(=O)(=O)O)c1ccc(OS(=O)(=O)O)c(COS(=O)(=O)O)c1)[N+](C)(C)C)C(=N)N

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: Microguanidine AL-722 is a natural product found in Cyanobacterium with data available.
Molecule SMILES: COc1cc(C)c2c(c1C=O)Oc1c(c(C)c(O)c3c1C(O)OC3=O)OC2=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: (17S)-13,17-dihydroxy-5-methoxy-7,12-dimethyl-9,15-dioxo-2,10,16-trioxatetracyclo[9.7.0.03,8.014,18]octadeca-1(11),3(8),4,6,12,14(18)-hexaene-4-carbaldehyde is a natural product found in Hypotrachyna revoluta, Lobaria scrobiculata, and other organisms with data available.
Molecule SMILES: CC1(C(O)CO)CCC2C(=CCC3C(C)(CO)CC(O)CC23C)C1

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: (1S)-1-[(2S,4aR,4bS,6S,8S,8aS)-6-hydroxy-8-(hydroxymethyl)-2,4b,8-trimethyl-3,4,4a,5,6,7,8a,9-octahydro-1H-phenanthren-2-yl]ethane-1,2-diol is a natural product found in Palafoxia arida with data available.
Molecule SMILES: CCC(C)C1C(=O)N2CCCC2C(=O)OC(C(C)(C)C)CC(C)CC(O)C(C)C2=NC(C=C(C)C(=O)NC(Cc3ccc(OC)cc3)C(=O)N(C)C(C)C(=O)N1C)CS2

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: Apratoxin A is an aprotoxin having the common aprotoxin cyclodepsipeptide skeleton where the isoleucyl residue carries an N-methyl substituent and the side-chain adjacent to the lactone is tert-butyl. It has a role as a metabolite and an antineoplastic agent. It is an apratoxin and a member of 1,3-thiazoles.
Molecule SMILES: CCC(C)C1C(=O)N2CCCC2C(=O)OC(C(C)(C)C)CC(C)CC(O)C(C)C2=NC(C=C(C)C(=O)NC(Cc3ccc(OC)cc3)C(=O)N(C)C(C)C(=O)N1C)CS2

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: Apratoxin A is a natural product found in Lyngbya majuscula and Lyngbya with data available.
Molecule SMILES: O=CC(O)C(O)C(O)C(O)COS(=O)(=O)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 give me a brief overview of this molecule <molecule_2d> ?

assistant: Galactose 6-sulfate is a monosaccharide sulfate.
Molecule SMILES: O=C(C=Cc1ccc(O)cc1)OCC1OC(OC2C(Oc3cc4c(OC5OC(CO)C(O)C(O)C5O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)OC(COC(=O)C=Cc3ccc(O)c(O)c3)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: Could you provide a description of this molecule <molecule_2d> ?

assistant: [(2R,3S,4S,5R,6S)-6-[(2S,3S,4S,5S,6S)-2-[2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxy-6-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxymethyl]-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate is a natural product found in Ipomoea asarifolia with data available.
Molecule SMILES: NC(=O)CC(N)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: Tell me something about this molecule: <molecule_2d>

assistant: L-asparagine is an optically active form of asparagine having L-configuration. It has a role as a nutraceutical, a micronutrient, a human metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite, a mouse metabolite and a plant metabolite. It is an aspartate family amino acid, a proteinogenic amino acid, an asparagine and a L-alpha-amino acid. It is a conjugate base of a L-asparaginium. It is a conjugate acid of a L-asparaginate. It is an enantiomer of a D-asparagine. It is a tautomer of a L-asparagine zwitterion.
Molecule SMILES: NC(=O)CC(N)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: Could you give me a brief overview of this molecule <molecule_2d> ?

assistant: A non-essential amino acid that is involved in the metabolic control of cell functions in nerve and brain tissue. It is biosynthesized from aspartic acid and ammonia by asparagine synthetase. (From Concise Encyclopedia Biochemistry and Molecular Biology, 3rd ed)
Molecule SMILES: NC(=O)CC(N)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 description of this molecule <molecule_2d> .

assistant: Asparagine is a non-essential amino acid in humans, Asparagine is a beta-amido derivative of aspartic acid and plays an important role in the biosynthesis of glycoproteins and other proteins. A metabolic precursor to aspartate, Asparagine is a nontoxic carrier of residual ammonia to be eliminated from the body. Asparagine acts as diuretic. (NCI04)
Molecule SMILES: NC(=O)CC(N)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: L-Asparagine is a metabolite found in or produced by Escherichia coli (strain K12, MG1655).
Molecule SMILES: NC(=O)CC(N)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: Could you provide a description of this molecule <molecule_2d> ?

assistant: Asparagine (Asn) is one of the 20 most common natural amino acids on Earth. It has carboxamide as the side chain's functional group. It is considered a non-essential amino acid. Asparagine is not an essential amino acid, which means that it can be synthesized from central metabolic pathway intermediates in humans and is not required in the diet. The precursor to asparagine is oxaloacetate. Oxaloacetate is converted to aspartate using a transaminase enzyme. The enzyme transfers the amino group from glutamate to oxaloacetate producing alpha-ketoglutarate and aspartate. The enzyme asparagine synthetase produces asparagine, AMP, glutamate, and pyrophosphate from aspartate, glutamine, and ATP. In the asparagine synthetase reaction, ATP is used to activate aspartate, forming beta-aspartyl-AMP. glutamine donates an ammonium group which reacts with beta-aspartyl-AMP to form asparagine and free AMP. Since the asparagine side chain can make efficient hydrogen bond interactions with the peptide backbone, asparagines are often found near the beginning and end of alpha-helices, and in turn motifs in beta sheets. Its role can be thought as capping the hydrogen bond interactions which would otherwise need to be satisfied by the polypeptide backbone. glutamines have an extra methylene group, have more conformational entropy and thus are less useful in this regard. Asparagine also provides key sites for N-linked glycosylation, modification of the protein chain with the addition of carbohydrate chains. A reaction between asparagine and reducing sugars or reactive carbonyls produces acrylamide (acrylic amide) in food when heated to sufficient temperature, i.e. baking. These occur primarily in baked goods such as french fries, potato chips, and roasted coffee. Asparagine was first isolated in 1806 from asparagus juice, in which it is abundant--hence its name--becoming the first amino acid to be isolated. The smell observed in the urine of some individuals after their consumption of asparagus is attributed to a byproduct of the metabolic breakdown of asparagine, asparagine-amino-succinic-acid monoamide. (However, some scientists disagree and implicate other substances in the smell, especially methanethiol). It is biosynthesized from aspartic acid and ammonia by asparagine synthetase.
Molecule SMILES: C=C=CCOc1ccc(CC2N=C(O)C(CC(C)C)N(C)C(=O)C(Cc3ccc(OCC=CC)cc3O)N=C(O)C(CC(C)C)N(C)C2=O)cc1

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: CID 163187327 is a natural product found in Xylaria with data available.
Molecule SMILES: CC12CCC3(O)C(CCC4=CC(=O)C=CC43C)C1CCC2O

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: 9,17beta-hydroxy-androsta-1,4-dien-3-one is a 3-hydroxy steroid. It has a role as an androgen.
Molecule SMILES: Cc1cc(O)cc(Oc2cc(C)c(C(=O)O)c(O)c2)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 provide a description of this molecule <molecule_2d> ?

assistant: 10-deoxygerfelin is a member of the class of benzoic acids that is salicylic acid which is substituted at position 6 by a methyl group and at position 4 by a 3-hydroxy-5-methylphenoxy group. It has a role as a metabolite. It is a member of benzoic acids, an aromatic ether and a member of phenols.