IDEA-AI4S/PubChemSFT huggingface dataset:
Molecule SMILES: O=C(O)CC(=O)OCC1OC(Oc2cc(O)cc3[o+]c(-c4cc(O)c(O)c(O)c4)c(OC4OC(COC(=O)C=Cc5ccc(O)cc5)C(O)C(O)C4O)cc23)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: Describe this molecule: <molecule_2d> .

assistant: 3-Oxo-3-[[3,4,5-trihydroxy-6-[7-hydroxy-3-[3,4,5-trihydroxy-6-[3-(4-hydroxyphenyl)prop-2-enoyloxymethyl]oxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromenylium-5-yl]oxyoxan-2-yl]methoxy]propanoic acid is a natural product found in Salvia uliginosa and Hyacinthus with data available.
Molecule SMILES: CC=C(C)C(=O)OC1C2=C(C)C(=O)OC2(O)CC2CCC(O)C(C)C21C

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: 2-Butenoic acid, 2-methyl-, (4S,4aS,5R,6S,8aR,9aS)-2,4,4a,5,6,7,8,8a,9,9a-decahydro-6,9a-dihydroxy-3,4a,5-trimethyl-2-oxonaphtho[2,3-b]furan-4-yl ester, (2E)- is a natural product found in Petasites japonicus with data available.
Molecule SMILES: CCCCCCCCCCCCC(O)C(O)CCC(O)C(O)CCCCC(O)CCCCCC(CC1=CC(C)(O)OC1=O)OC(C)=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: donnaienin D is a natural product found in Knema furfuracea with data available.
Molecule SMILES: COC1C(=O)CC23CCN(C)C24CC(OC14OC)c1cc2c(cc13)OCO2

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: Periglaucine A is an isoquinoline alkaloid. It has a role as a metabolite.
Molecule SMILES: COC1C(=O)CC23CCN(C)C24CC(OC14OC)c1cc2c(cc13)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: CID 24879468 is a natural product found in Pericampylus glaucus with data available.
Molecule SMILES: CC(=O)NC1C(O)OC(CO)C(OC2OC(CO)C(OC3OC(COC4OC(COC5OC(CO)C(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(O)C5NC(C)=O)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4NC(C)=O)C(OC4OC(CO)C(O)C(O)C4NC(C)=O)C(OC4OC(CO)C(OC5OC(CO)C(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(O)C5NC(C)=O)C(O)C4OC4OC(CO)C(OC5OC(CO)C(OC6OC(CO)C(O)C(O)C6O)C(O)C5O)C(O)C4NC(C)=O)C3O)C(O)C2NC(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: I'd like a short overview about this molecule <molecule_2d>. Can you do that?

assistant: N-[(3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3S,4R,5R,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxymethyl]-4-[(2R,3S,4S,5S,6R)-3,5-bis[[(2R,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is a member of carbohydrates and carbohydrate derivatives.
Molecule SMILES: CCC=CCCOC(=O)CC(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: cis-3-Hexenyl 3-methylbutanoate is a natural product found in Matricaria matricarioides and Matricaria discoidea with data available.
Molecule SMILES: COC1CN(C)C(=O)c2ccc(NC(=O)Nc3cccc(F)c3)cc2OCC(C)N(C(C)=O)CC1C

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: 1-[(5R,6S,9R)-8-acetyl-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-fluorophenyl)urea is an azamacrocycle and a lactam.
Molecule SMILES: CCc1c(Cl)c(O)c(Cl)c(O)c1C(=O)C(O)C1C(C)OC(OCC2=CC=CCC(O)C(C)=CC(CC)C(OC3OC(C)(C)C(OC(=O)C(C)C)C(O)C3O)C(C)=CC(C)=CCC(C(C)O)OC2=O)C(OC)C1O

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: [6-[[(4Z,6Z,10Z,14Z,16Z)-17-[[5-[2-(3,5-dichloro-2-ethyl-4,6-dihydroxyphenyl)-1-hydroxy-2-oxoethyl]-4-hydroxy-3-methoxy-6-methyloxan-2-yl]oxymethyl]-9-ethyl-12-hydroxy-2-(1-hydroxyethyl)-5,7,11-trimethyl-18-oxo-1-oxacyclooctadeca-4,6,10,14,16-pentaen-8-yl]oxy]-4,5-dihydroxy-2,2-dimethyloxan-3-yl] 2-methylpropanoate is a natural product found in Micromonospora echinospora with data available.
Molecule SMILES: Cc1nnc(SCC2=C(C(=O)OCc3oc(=O)oc3C)N3C(=O)C(NC(=O)C(OC(=O)C(C)N)c4ccccc4)C3SC2)s1

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: Cefcanel Daloxate is the cephem double ester prodrug of cefcanel, a semisynthetic third-generation cephalosporin with antibacterial activity. Cefcanel daloxate is hydrolyzed in the intestinal lumen and in the gut wall by esterases to form the active metabolite cefcanel. Cefcanel binds to and inactivates penicillin-binding proteins (PBPs) located on the inner membrane of the bacterial cell wall. PBPs are enzymes involved in the terminal stages of assembling the bacterial cell wall and in reshaping the cell wall during growth and division. Inactivation of PBPs interferes with the cross-linkage of peptidoglycan chains necessary for bacterial cell wall strength and rigidity. This results in the weakening of the bacterial cell wall and causes cell lysis.
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: Given the molecule <molecule_2d>, what can you tell me about it?

assistant: LSM-4297 is a vinca alkaloid.
Molecule SMILES: CC(=O)NC(CO)C(O)C(OC1OC(CO)C(OC2OC(COC3OC(CO)C(O)C(O)C3OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(OC5OC(CO)C(O)C(O)C5O)C(O)C4NC(C)=O)C(O)C3NC(C)=O)C(O)C(OC3OC(CO)C(OC4OC(CO)C(OC5OC(CO)C(O)C(O)C5OC5OC(CO)C(OC6OC(CO)C(O)C(O)C6O)C(O)C5NC(C)=O)C(O)C4NC(C)=O)C(O)C3OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(OC5OC(CO)C(O)C(O)C5O)C(O)C4NC(C)=O)C(O)C3NC(C)=O)C2O)C(O)C1NC(C)=O)C(O)COC1OC(C)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 give me a brief overview of this molecule <molecule_2d> ?

assistant: CID 91860918 is a polysaccharide.
Molecule SMILES: CCN1CC2(OC(=O)c3ccccc3N)CCC(OC)C34C1C(CC23)C1(O)CC(OC)C2CC4(O)C1(O)C2OC

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: Sepaconitine is a natural product found in Aconitum lycoctonum, Aconitum septentrionale, and Aconitum leucostomum with data available.
Molecule SMILES: CC1=CCC2(CC1=O)C(C)CC(=O)C2C(C)C

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: Acoronene is a natural product found in Acorus calamus with data available.
Molecule SMILES: CCN1CC2(COC)CCC(OC)C34C5CC6(O)C(OC)CC(OC(C)=O)(C5C6OC(=O)c5ccc(OC)cc5)C(C(OC)C23)C14

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: Crassicauline A is a diterpene alkaloid with formula C35H49NO10 that is isolated from several Aconitum species. It has a role as a plant metabolite, a human urinary metabolite and a xenobiotic. It is an acetate ester, an aromatic ether, a benzoate ester, a bridged compound, a diterpene alkaloid, an organic heteropolycyclic compound, a polyether, a tertiary amino compound and a tertiary alcohol. It derives from a hydride of an aconitane.
Molecule SMILES: CCN1CC2(COC)CCC(OC)C34C5CC6(O)C(OC)CC(OC(C)=O)(C5C6OC(=O)c5ccc(OC)cc5)C(C(OC)C23)C14

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: Crassicauline A is a natural product found in Aconitum episcopale and Aconitum carmichaelii with data available.
Molecule SMILES: CC(CC(=O)C(C)C(C)C(=O)O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(OC(=O)CC(=O)O)C(C)(C)C1CC3

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,3R,6R)-6-[(3R,5R,10S,13R,14R,17R)-3-(2-carboxyacetyl)oxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2,3-dimethyl-4-oxoheptanoic acid is a natural product found in Daedalea dickinsii, Ganoderma applanatum, and other organisms with data available.
Molecule SMILES: O=C(Cl)c1ccccc1[N+](=O)[O-]

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: O-nitrobenzoyl chloride is a crystalline solid. It is shock sensitive.
Molecule SMILES: CCC(C)(N)C(=O)OC1c2c(C)coc2C(=O)C2CCCC(C)C21C

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: (3,4a,5-Trimethyl-9-oxo-4,5,6,7,8,8a-hexahydrobenzo[f][1]benzofuran-4-yl) 2-amino-2-methylbutanoate is a natural product found in Pittocaulon velatum with data available.
Molecule SMILES: COC(=O)c1c(C)cc(OC(=O)c2c(C)cc(OC(=O)c3c(C)cc(OC)cc3O)cc2O)cc1O

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: Tenuiorin is a carbonyl compound.
Molecule SMILES: COC(=O)c1c(C)cc(OC(=O)c2c(C)cc(OC(=O)c3c(C)cc(OC)cc3O)cc2O)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: Tenuiorin is a natural product found in Blasia pusilla, Peltigera horizontalis, and other organisms with data available.
Molecule SMILES: CC1=CCC(C2(C)OC(C)(C)C=CC2=O)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 give me a brief overview of this molecule <molecule_2d> ?

assistant: (2R)-2,6,6-Trimethyl-2-[(1S)-4-methyl-3-cyclohexenyl]-2H-pyran-3(6H)-one is a natural product found in Aplysia dactylomela with data available.
Molecule SMILES: C[N+]([O-])(CCCl)CCCl.Cl

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: Nitrogen mustard N-oxide hydrochloride is a nitrogen mustard.
Molecule SMILES: C[N+]([O-])(CCCl)CCCl.Cl

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: Mechlorethamine Oxide Hydrochloride is a nitrogen mustard alkylating agent that causes DNA cross linkages. It is a known carcinogen especially in mice. (NCI)
Molecule SMILES: CC(=O)OC1CC2C(C)(C)C(=O)C=CC2(C)C2CC(C)C3C(c4ccoc4)OC(=O)C4OC43C12C

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,2R,4S,7R,8S,9R,11S,12R,17R,19R)-7-(furan-3-yl)-1,9,12,16,16-pentamethyl-5,15-dioxo-3,6-dioxapentacyclo[9.8.0.02,4.02,8.012,17]nonadec-13-en-19-yl] acetate is a natural product found in Cabralea canjerana with data available.
Molecule SMILES: COC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)OC5OCC(O)C(O)C5OC(=O)C=Cc5ccc(OC6OC(CO)C(O)C(O)C6O)c(OC)c5)C(O)CC34C)C2(C)C)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: <molecule_2d> The above is a compound. Could you please tell me something about it?

assistant: methyl (2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8R,8aR,12aS,14aR,14bR)-8a-[(2S,3R,4S,5R)-4,5-dihydroxy-3-[(E)-3-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoyl]oxyoxan-2-yl]oxycarbonyl-8-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylate is a natural product found in Tragopogon porrifolius with data available.
Molecule SMILES: C=C1C(O)C(O)CC2(C)C1C(O)CC1(C)C2C2OC2C23OC(=O)C4(CCC12C)C(O)CC(C)C(C)C43

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: Chinenol B is a natural product found in Helwingia chinensis with data available.
Molecule SMILES: Oc1cccc(Cl)c1

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: M-chlorophenol appears as white crystals with an odor of phenol. Sinks in and slowly dissolves in water. (NTP, 1992)
Molecule SMILES: Oc1cccc(Cl)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: 3-chlorophenol is a monochlorophenol carrying the chloro substituent at position 3.
Molecule SMILES: COc1cc(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)c2c(c1O)C(=O)c1cc(C)ccc1C2=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: Austrocortinin 8-O-beta-D-gentiobioside is a natural product found in Cortinarius persplendidus with data available.
Molecule SMILES: CCCCCC=CCC=CCC=CCCCCC(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=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: <molecule_2d> The above is a compound. Could you please tell me something about it?

assistant: (3R,8Z,11Z,14Z)-3-hydroxyicosatrienoyl-CoA is a 3-hydroxy fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (3R,8Z,11Z,14Z)-3-hydroxyicosatrienoic acid. It is a (R)-3-hydroxyacyl-CoA, a 3-hydroxy fatty acyl-CoA, an unsaturated fatty acyl-CoA and a long-chain fatty acyl-CoA. It is a conjugate acid of a (3R,8Z,11Z,14Z)-3-hydroxyicosatrienoyl-CoA(4-).
Molecule SMILES: C#CC1CCC(CN)N1C(=O)C(N)C1CCCC1

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: (1S)-2-[(2S,5R)-2-(aminomethyl)-5-ethynylpyrrolidin-1-yl]-1-cyclopentyl-2-oxoethanamine is a N-acylpyrrolidine and a terminal acetylenic compound.
Molecule SMILES: COC1CC(OC2C(O)CC(OC3C(O)CC(OC4C(O)CC(OC5CCC6(C)C(=CCC7(O)C6CC(OC(=O)c6ccccc6)C6(C)C(O)(C(C)O)CCC76O)C5)OC4C)OC3C)OC2C)OC(C)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> What do you know about the molecule?

assistant: [(3S,8S,9R,10R,12R,13R,14R,17S)-8,14,17-trihydroxy-17-[(1R)-1-hydroxyethyl]-3-[(2R,4S,5S,6R)-4-hydroxy-5-[(2S,4R,5S,6R)-4-hydroxy-5-[(2S,4R,5S,6R)-4-hydroxy-5-[(2S,4R,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] benzoate is a natural product found in Asclepias curassavica with data available.
Molecule SMILES: CC(=O)NC1C(OC2C(O)C(CO)OC(OC3C(O)C(CO)OC(O)C3NC(C)=O)C2OC2OC(C)C(O)C(O)C2O)OC(CO)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: Describe this molecule: <molecule_2d> .

assistant: Alpha-D-GalpNAc-(1->3)-[alpha-L-Fucp-(1->2)]-beta-D-Galp-(1->3)-beta-D-GlcpNAc is an alpha-D-GalpNAc-(1->3)-[alpha-L-Fucp-(1->2)]-beta-D-Galp-(1->3)-D-GlcpNAc having beta-configuration at the reducing end anomeric centre. It has a role as an epitope.
Molecule SMILES: CC(=O)NC1C(OC2C(O)C(CO)OC(OC3C(O)C(CO)OC(O)C3NC(C)=O)C2OC2OC(C)C(O)C(O)C2O)OC(CO)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: <molecule_2d> What do you know about the molecule?

assistant: blood group A antigen type 1 contains a Blood group A (type 1) motif and is often attached to a R aglycon.
Molecule SMILES: C=C(C)C12CC(C)C34OC(Cc5ccccc5)(OC1C3C=C(COC(=O)Cc1cc(O)cc(OC)c1)CC1(O)C(=O)C(C)=CC14)O2

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,2R,6R,10S,11S,13R,15S,17R)-13-benzyl-6-hydroxy-4,17-dimethyl-5-oxo-15-prop-1-en-2-yl-12,14,18-trioxapentacyclo[11.4.1.01,10.02,6.011,15]octadeca-3,8-dien-8-yl]methyl 2-(3-hydroxy-5-methoxyphenyl)acetate is a natural product found in Euphorbia resinifera with data available.
Molecule SMILES: O=C([O-])C=CC(=O)CC(=O)CC(=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: 4-fumarylacetoacetate(2-) is a dicarboxylic acid dianion resuting from removal of a proton from both carboxy groups of 4-fumarylacetoacetic acid. It has a role as a metabolite and a human metabolite. It is functionally related to an oct-2-enedioate. It is a conjugate base of a 4-fumarylacetoacetic acid.
Molecule SMILES: C=C1C(=O)OC2CC3(C)C(CC12)C(C)=CC(O)C3OC(=O)C(C)CC

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: [(3aR,4aS,7S,8S,8aR,9aR)-7-hydroxy-5,8a-dimethyl-3-methylidene-2-oxo-4,4a,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-8-yl] (2R)-2-methylbutanoate is a natural product found in Wunderlichia mirabilis with data available.
Molecule SMILES: COc1cc(O)c2c(c1CC=C(C)C)OC(c1ccc(O)cc1)CC2=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: Mundulea flavanone B is a natural product found in Azadirachta indica, Glycosmis chlorosperma, and other organisms with data available.
Molecule SMILES: COC(=O)C(C)CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O)C(C)(C)C1CC3=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: methyl (2R,6S)-6-[(3S,5S,10S,12S,13R,14R,17R)-3,12-dihydroxy-4,4,10,13,14-pentamethyl-7,11,15-trioxo-1,2,3,5,6,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoate is a natural product found in Ganoderma lucidum with data available.
Molecule SMILES: CC12CCC(O)CC1CCC1C2C(O)C(=O)C2(C)C(c3ccc(=O)oc3)CCC12O

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: Arenobufagin is a natural product found in Bufo gargarizans, Bufotes viridis, and other organisms with data available.
Molecule SMILES: N#CC1C(c2ccc(C3=CCCC3)cc2)C(CO)N1c1nc(-c2ccccc2)cs1

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,3R,4R)-3-[4-(1-cyclopentenyl)phenyl]-4-(hydroxymethyl)-1-(4-phenyl-2-thiazolyl)-2-azetidinecarbonitrile is a member of azetidines, a ring assembly and a member of benzenes.
Molecule SMILES: C=C(C)C(CC)CCC(C)C1CCC2C3C(=O)C=C4CC(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: I'd like a short overview about this molecule <molecule_2d>. Can you do that?

assistant: 3beta-Hydroxystigmasta-5,25-diene-7-one is a natural product found in Momordica charantia, Codium decorticatum, and Teucrium chamaedrys with data available.
Molecule SMILES: CCC(=C(c1ccc(OCCNC)cc1)c1ccc(OS(=O)(=O)O)cc1)c1ccccc1

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: Endoxifen sulfate is a stilbenoid.
Molecule SMILES: CCC=CCC1C(O)CCC1CC(=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: 2-[(1R,2S,3S)-3-hydroxy-2-[(E)-pent-2-enyl]cyclopentyl]acetic acid is a natural product found in Cucurbita pepo with data available.
Molecule SMILES: CC1OC(OC2C(O)COC(OC3C(C)OC(OC4C(OC(=O)C56CCC(C)(C)CC5C5=CCC7C8(C)CC(O)C(OC9OC(CO)C(O)C(O)C9O)C(C)(CO)C8CCC7(C)C5(C)CC6O)OC(C)C(O)C4O)C(O)C3O)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: <molecule_2d> The above is a compound. Could you please tell me something about it?

assistant: Bernardioside D is a natural product found in Bellis bernardii and Bellis perennis with data available.
Molecule SMILES: CC(=O)NC1C(OC2C(CO)OC(O)C(N)C2O)OC(COP(=O)(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: Please give me some details about this molecule <molecule_2d> .

assistant: N'-monoacetylchitobiose-6'-phosphate is a disaccharide phosphate that is N'-monoacetylchitobiose substituted at position 6' by a phospho group. It is an amino disaccharide and a disaccharide phosphate. It is functionally related to a beta-D-glucosaminyl-(1->4)-D-glucosamine. It is a conjugate acid of a N'-monoacetylchitobiose-6'-phosphate(1-).
Molecule SMILES: CN1CCN(c2ccc(-c3csc(N4CCC(C(N)=O)CC4)n3)cc2)CC1

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: 1-[4-[4-(4-methyl-1-piperazinyl)phenyl]-2-thiazolyl]-4-piperidinecarboxamide is a member of piperazines.