IDEA-AI4S/PubChemSFT huggingface dataset:
Molecule SMILES: Clc1cc(Cl)c2c(c1Cl)Oc1cccc(Cl)c1O2

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: 1,2,4,6-Tetrachlorodibenzo-p-dioxin is one of 75 chlorinated dibenzo-p-dioxin (CDD) congeners. CDDs are a class of manufactured chemicals that consist of dioxin skeletel structures with chlorine substituents. They are also persistent organic pollutants (POPs), thus their production is regulated in most areas. Dioxins occur as by-products from the manufacture of organochlorides, the bleaching of paper, chlorination by waste and drinking water treatment plants, municipal solid waste and industrial incinerators, and natural sources such as volcanoes and forest fires. (L177, L178)
Molecule SMILES: COC1C=CC=CC=CCC(OC(=O)C(C)NC(=O)C2=CCCCC2)C(C)C(O)C(C)=CCCc2cc(O)cc(c2O)NC(=O)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: [(5R,8Z,10Z,13S,14R,15R,16Z)-15,22,24-trihydroxy-5-methoxy-14,16-dimethyl-3-oxo-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20(24),21-heptaen-13-yl] (2R)-2-(cyclohexene-1-carbonylamino)propanoate is a natural product found in Streptomyces with data available.
Molecule SMILES: C=C(C(=O)O)C1(O)CC2(C)C(=CC1=O)C=CC(OC(=O)C=CC(C)=CC(C)CC)C2C

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: Chaetopenoid B is a natural product found in Chaetoconis with data available.
Molecule SMILES: C=CC(C)(O)CCC1C(C)(O)CCC2C(C)(C)CCCC21C

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: (1S,2R,4aS,8aS)-1-[(3S)-3-hydroxy-3-methylpent-4-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol is a natural product found in Vitex agnus-castus with data available.
Molecule SMILES: COc1ccc(-c2coc3cc(OCC=C(C)CCC=C(C)C)ccc3c2=O)cc1

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: 7-Geranylformononetin is a natural product found in Millettia ferruginea with data available.
Molecule SMILES: CC(=O)NC1C(OC2C(O)C(COC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(OC4OC(C)C(O)C(O)C4O)C3NC(C)=O)OC(OC3C(CO)OC(O)C(O)C3O)C2O)OC(CO)C(OC2OC(COC3(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O3)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 provide a description of this molecule <molecule_2d> ?

assistant: (2R,4S,5R,6R)-5-Acetamido-2-[[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3R,4S,5S,6S)-2-[[(2R,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxy-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid is a member of carbohydrates and carbohydrate derivatives.
Molecule SMILES: O=S(=O)(CCOc1ccccc1)c1nc2ccccc2[nH]1

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: 2-(2-phenoxyethylsulfonyl)-1H-benzimidazole is a sulfoxide and a member of benzimidazoles.
Molecule SMILES: CC(N)(C(=O)O)C(C)(C)c1c[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 give me a brief overview of this molecule <molecule_2d> ?

assistant: Trimethyltryptophan is a natural product found in Abrus precatorius with data available.
Molecule SMILES: CC1(C)C(Br)CC2OCC=C2C1O

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: 6(S*)-Bromo-1,4(R*)-oxido-2(Z)-ochtoden-8(S*)-ol is a natural product found in Ochtodes crockeri with data available.
Molecule SMILES: CC1=CCC(C2=CCCC(CO)C2)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 brief overview of this molecule <molecule_2d> .

assistant: [3-(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: O=C(C=Cc1ccccc1)NCCC(O)CNC(=O)C=Cc1ccccc1

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: (R)-2-Hydroxyputrescine dicinnamamide is a natural product found in Pholiota spumosa with data available.
Molecule SMILES: COc1ccc(C2(O)c3c(ccc(C=CC(C)=CCC4OC4(C)C)c3O)NC(=O)C2OC)cc1

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: (1'E,3'E)-5-(3,3-dimethyloxiran-2-yl)-3-methylhexa-1,3-dienyl-quinolinone B is a quinolone.
Molecule SMILES: CC(C)=CCCC(C)=CCCC(C)=CCC1=C(O)C(=O)C=C(O)C1=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: 2,5-Dihydroxy-3-farnesyl-1,4-benzoquinone is a natural product found in Chroogomphus rutilus with data available.
Molecule SMILES: CCC=CCC=CCC=CCCCCCCCC(=O)NC(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: N-(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl-(2S)-hydroxyglycinate is an N-acyl-(2S)-hydroxyglycinate that is the conjugate base of N-(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl-(2S)-hydroxyglycine, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of a N-(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl-(2S)-hydroxyglycine.
Molecule SMILES: CC=C(C)C(=O)OC1C2C(=O)C(C)(C(C(OC(C)=O)C(=O)OC)C1(C)C)C1CCC3(C)C(c4ccoc4)OC(=O)CC3C13OC23

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: [(1S,2R,4S,5R,9R,10R,13R,14S,15S,17R)-15-[(1S)-1-acetyloxy-2-methoxy-2-oxoethyl]-9-(furan-3-yl)-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.02,4.04,13.05,10]octadecan-17-yl] (E)-2-methylbut-2-enoate is a natural product found in Swietenia mahagoni with data available.
Molecule SMILES: CC(C)=CCCC(C)C1=CCC2(C)OC3=C(CC12)C(=O)CCC3O

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: (3aR,5R,9aS)-5-hydroxy-3a-methyl-1-[(2S)-6-methylhept-5-en-2-yl]-3,5,6,7,9,9a-hexahydrocyclopenta[b]chromen-8-one is a natural product found in Alternaria chartarum and Alternaria alternata with data available.
Molecule SMILES: CC(C=CCC(C)C1CCC2(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC12C)CO

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,3R,6S,8R,11S,12S,15R,16R)-15-[(E,2R,6R)-7-hydroxy-6-methylhept-4-en-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol is a natural product found in Mangifera indica with data available.
Molecule SMILES: CC=C(C)C(=O)OC1CC2(C)OC2CCC2(C)OC2C2OC(=O)C(CO)=C12

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: [(1S,2R,4R,7R,9R,11S)-13-(hydroxymethyl)-4,9-dimethyl-14-oxo-3,8,15-trioxatetracyclo[10.3.0.02,4.07,9]pentadec-12-en-11-yl] (E)-2-methylbut-2-enoate is a natural product found in Vernonia marginata with data available.
Molecule SMILES: CC(=O)OC1CC(C)C2C(O)CC3(C)CC(C)(C)C1C23O

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: 4beta-Acetoxy-10beta-hydroxyprobotryane is a natural product found in Botrytis cinerea with data available.
Molecule SMILES: COc1cccc(CNc2ccc([N+](=O)[O-])cc2Cl)c1O

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: 2-[(2-chloro-4-nitroanilino)methyl]-6-methoxyphenol is an aromatic amine.
Molecule SMILES: COc1cc2c3c(c4cc(OC)c(OC)cc4c2cc1OC)C(O)C1CCCN1C3

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: Tylophorinicine is a natural product found in Telosma pallida and Vincetoxicum indicum with data available.
Molecule SMILES: CC12CCC(O)C3COC(=C31)C(=O)c1cc3cccc(O)c3cc12

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: Xestosaprol K is a natural product found in Xestospongia with data available.
Molecule SMILES: CN(C)C(=O)c1cccc(-c2cccc(-c3nc(C(=O)N4CCOCC4)cc4c3C(CCO)N(S(=O)C(C)(C)C)C4)c2)c1

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: 3-[3-[(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-6-[4-morpholinyl(oxo)methyl]-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl]phenyl]-N,N-dimethylbenzamide is a member of biphenyls.
Molecule SMILES: CCCCCCC(C)C=C(C)C=CC(=O)NC1CC2(O)C=C(Cl)C(=O)C(Cl)(C1O)C2OC

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: Gymnastatin F is a natural product found in Halichondria japonica with data available.
Molecule SMILES: CC1=CC(C)(C)C(CCO)C1

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-[(1R)-2,2,4-Trimethylcyclopent-3-en-1-yl]ethan-1-ol is a natural product found in Tanacetum vulgare with data available.
Molecule SMILES: CC(C)C(N)C(=O)NC(CCCN=C(N)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: Please give me some details about this molecule <molecule_2d> .

assistant: Val-Arg is a dipeptide formed from L-valine and L-asparagine residues. It has a role as a metabolite. It is functionally related to a L-valine and a L-asparagine.
Molecule SMILES: CC(C)C(N)C(=O)NC(CCCN=C(N)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: Val-Arg is a natural product found in Aeromonas veronii with data available.
Molecule SMILES: C=C(C)C1CCC2(C(=O)OC)CCC3(COC(=O)C=Cc4ccc(O)c(O)c4)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12

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: Methyl 27-O-cis-caffeoylcylicodiscate is a natural product found in Durio zibethinus with data available.
Molecule SMILES: CCC(C)C(C(=O)NC)N(C)C(=O)C(NC(=O)C(C(C)C)N(C)C(=O)C(C(C)CC)N(C)C(=O)C(C)N(C)C(=O)c1ccccc1)C(C)C

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: Pterulamide III is a natural product found in Pterula with data available.
Molecule SMILES: CC1=CCCC2(C)OC2C=C(C(C)C)C(=O)CC(C)=CCC1

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,2Z,6E,10E,14S)-6,10,14-trimethyl-3-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-2,6,10-trien-4-one is a natural product found in Sarcophyton flexuosum with data available.
Molecule SMILES: CNC(Cc1ccccc1)C(=O)NC1C(=O)NC(CC(C)C)C(=O)NC=Cc2ccc(cc2)OC1C(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: Sanjoinine B is a natural product found in Ziziphus jujuba with data available.
Molecule SMILES: CCOCc1ccc(C=O)[nH]1

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-(ethoxymethyl)-1H-pyrrole-2-carbaldehyde is a natural product found in Tussilago farfara with data available.
Molecule SMILES: COC1=C(Br)C(O)C2(C=C1Br)CC(C(=O)NCCCOc1c(Br)cc(C(O)CNC(C)=O)cc1Br)=NO2

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: (5S,6R)-N-[3-[4-(2-acetamido-1-hydroxyethyl)-2,6-dibromophenoxy]propyl]-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide is a natural product found in Aplysina cauliformis with data available.
Molecule SMILES: COc1cc(C=CC(=O)OC2CCC3(C)C4CCC5(C)C(=CCC6(C)CCC(C)(C)CC65)C4(C)CCC3C2(C)C)ccc1O

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: 3alpha-[(E)-3-(3-Methoxy-4-hydroxyphenyl)acryloyloxy]-14,15-didehydrotaraxerane is a natural product found in Bruguiera cylindrica with data available.
Molecule SMILES: O=[Bi]OC(=O)O[Bi]=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: Bismuth subcarbonate is a bismuth coordination entity and a one-carbon compound. It is functionally related to a carbonic acid.
Molecule SMILES: CC(C)=CCCC(C)=CCc1c(O)c(CC=C(C)C)c2oc3ccc(O)cc3c(=O)c2c1O

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-(3,7-Dimethylocta-2,6-dienyl)-1,3,7-trihydroxy-4-(3-methylbut-2-enyl)xanthen-9-one is a natural product found in Cratoxylum cochinchinense with data available.
Molecule SMILES: CC(=O)OC1CC2C(C=C1C)Cc1ccoc1C2(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: [(4aS,7R,8aR)-6,9,9-trimethyl-4a,7,8,8a-tetrahydro-4H-benzo[f][1]benzofuran-7-yl] acetate is a natural product found in Lamellodysidea herbacea with data available.
Molecule SMILES: O=C(O)C(=O)CC(O)C(O)C(O)C(O)C(O)CO

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: Sialosonic acid is a L-alpha-D-Hepp-(1->7)-L-alpha-D-Hepp-(1->3)-L-alpha-D-Hepp-(1->5)-alpha-Kdo.
Molecule SMILES: CC(=O)OC1CC(C)C(C)C2C3=CCC4C56CCC(O)(OC5)C(C)(C)C6CCC4(C)C3(C)CCC12C(=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: (1S,2S,6S,7S,8R,10R,11S,14S,15R,18S,20S)-10-acetyloxy-20-hydroxy-7,8,14,15,19,19-hexamethyl-21-oxahexacyclo[18.2.2.01,18.02,15.05,14.06,11]tetracos-4-ene-11-carboxylic acid is a natural product found in Lantana camara with data available.
Molecule SMILES: COc1ccc2c(c1)OCC1c3cc(OC)c(O)c(CC=C(C)C)c3OC21

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: Lespeflorin G9 is a natural product found in Lespedeza floribunda with data available.
Molecule SMILES: COc1cc(O)c2c(=O)c(OC)c(-c3ccc(O)c(O)c3)oc2c1O

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: Gossypetin 3,7-dimethyl ether is a natural product found in Chorizanthe diffusa and Larrea tridentata with data available.
Molecule SMILES: CC1=C2C3C(CCC(C)C2(O)CC1=O)C3(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: 1-Hydroxycyclocolorenone is a natural product found in Porella vernicosa with data available.
Molecule SMILES: O=C(C=Cc1ccc(OC2OC(CO)C(O)C(O)C2O)cc1)c1ccc(O)cc1O

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: Isoliquiritin is a monosaccharide derivative that is trans-chalcone substituted by hydroxy groups at positions 2' and 4' and a beta-D-glucopyranosyloxy group at position 4 respectively. It has a role as an antineoplastic agent and a plant metabolite. It is a member of chalcones, a member of resorcinols, a beta-D-glucoside and a monosaccharide derivative. It is functionally related to a trans-chalcone.
Molecule SMILES: O=C(C=Cc1ccc(OC2OC(CO)C(O)C(O)C2O)cc1)c1ccc(O)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 give me a brief overview of this molecule <molecule_2d> ?

assistant: Isoliquiritin is a natural product found in Allium chinense, Portulaca oleracea, and other organisms with data available.
Molecule SMILES: COc1cc(CC(COC(C)=O)OC(C)=O)ccc1OC(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: [(2R)-2-acetyloxy-3-(4-acetyloxy-3-methoxyphenyl)propyl] acetate is a natural product found in Bauhinia purpurea with data available.
Molecule SMILES: CCCCCCCCCCCCNc1ccc(O)cc1C(=O)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: 2-(Dodecylamino)-5-hydroxybenzoic acid is a natural product found in Streptomyces with data available.
Molecule SMILES: COc1ccc2c3c([nH]c2c1)C(CO)NCC31CN(C(=O)Nc2ccc3c(c2)OCO3)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: (1S)-N-(1,3-benzodioxol-5-yl)-1-(hydroxymethyl)-7-methoxy-1'-spiro[1,2,3,9-tetrahydropyrido[3,4-b]indole-4,3'-azetidine]carboxamide is a harmala alkaloid.
Molecule SMILES: CC(C)(COP(=O)([O-])OP(=O)([O-])OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])[O-])C(O)C(=O)NCCC(=O)NCCSC(=O)C(=S)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: Given the molecule <molecule_2d>, what can you tell me about it?

assistant: 4-carboxylato-2-thioxobutanoyl-CoA(5-) is an acyl-CoA oxoanion obtained by deprotonation of the phosphate, diphosphate and carboxy groups of 4-carboxy-2-thioxobutanoyl-CoA It is a conjugate base of a 4-carboxy-2-thioxobutanoyl-CoA. It is a tautomer of a (2Z)-4-carboxylato-2-sulfanylbut-2-enoyl-CoA(5-).
Molecule SMILES: O=CC(F)C(O)C(O)C(O)CO

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-deoxy-2-fluoro-aldehydo-D-glucose is a 2-deoxy-2-fluoro-D-glucose and an aldehyde. It is functionally related to an aldehydo-D-glucose.
Molecule SMILES: O=CC(F)C(O)C(O)C(O)CO

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: Fludeoxyglucose is under investigation in clinical trial NCT03262389 (Comparison of F-18 FDG and C-11 Acetate PET in Multiple Myeloma).
Molecule SMILES: CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCC

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: Decyl pentyl phthalate is a natural product found in Eleutherococcus sessiliflorus with data available.
Molecule SMILES: CC(O)C=CC12OC1(C)CC(OC1OC(CO)C(O)C(O)C1O)CC2(C)C

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: (2R,3R,4S,5S,6R)-2-[[(1S,3S,6R)-6-[(3R)-3-hydroxybut-1-enyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol is a natural product found in Chimonanthus praecox with data available.
Molecule SMILES: COC1(C)CC23CCC4C(C)(C(=O)O)CCC(O)C4(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: Could you provide a description of this molecule <molecule_2d> ?

assistant: (1R,4R,5R,8R,9S,10S,13S,14S)-8-hydroxy-14-methoxy-5,9,14-trimethyltetracyclo[11.2.1.01,10.04,9]hexadec-11-ene-5-carboxylic acid is a natural product found in Rhizopus arrhizus with data available.
Molecule SMILES: CC(=O)NC1C(O)CC(OC(CO)C(O)C2OC(OC3C(O)C(CO)OC(OC4C(O)C(CO)OC(OC5C(CO)OC(OC6C(CO)OC(O)C(O)C6O)C(O)C5OC5(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O5)C4NC(C)=O)C3O)(C(=O)O)CC(O)C2NC(C)=O)(C(=O)O)OC1C(O)C(O)CO

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: Alpha-Neup5Ac-(2->8)-alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->3)-beta-D-GalpNAc-(1->4)-[alpha-Neup5Ac-(2->3)]-beta-D-Galp-(1->4)-beta-D-Glcp is a branched heptasaccharide derivative consisting of three sialyl residues, two galactose residues, one N-acetylglucosamine and a glucose residue at the reducing end. The oligosaccharide of ganglioside GT1a. It is a heptasaccharide derivative and an alpha-Neup5Ac-(2->8)-alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->3)-beta-D-GalpNAc-(1->4)-[alpha-Neup5Ac-(2->3)]-beta-D-Galp-(1->4)-D-Glcp.