IDEA-AI4S/PubChemSFT huggingface dataset:
Molecule SMILES: CCC=CCC(O)C=CC1C(O)CC(O)C1CC=CCC=CCCC(=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: Ent-17-epi-17-F4t-NeuroP is a medium-chain fatty acid.
Molecule SMILES: CC1(C)CCCC2(C)C3CC4(O)OOC(C)(C31)C42

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,2R,3R,6R,8R,9S)-1,3,10,10-tetramethyl-4,5-dioxatetracyclo[6.5.0.02,6.03,9]tridecan-6-ol is a natural product found in Artemisia filifolia with data available.
Molecule SMILES: COc1c2c(cc3c1OCO3)C13CCN(C2)C1CCC(O)C3OC(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 give me a brief overview of this molecule <molecule_2d> ?

assistant: (16-Hydroxy-9-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9-trien-17-yl) acetate is a natural product found in Crinum asiaticum and Crinum asiaticum var. sinicum with data available.
Molecule SMILES: CC1(C(=O)OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)CCCC2(C)C1C(O)C(O)C13CC(CO)C(O)(CCC21)C3

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,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl] (1S,2R,3S,4S,5R,9S,10S,13R,14S)-2,3,13-trihydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate is a natural product found in Pisum sativum with data available.
Molecule SMILES: C=C1C(Cl)C2OC(=O)C(C)C2(O)C(OC(C)=O)C2C(C)(OC(C)=O)C(OC(=O)CCC)CC(OC(C)=O)C2(C)C(OC(C)=O)C2OC12

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: Briarein G is a natural product found in Briareum asbestinum with data available.
Molecule SMILES: CC12CC=C3OC(=O)C=C3C1CCC13CC(CCC12)C(O)(CO)C3

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: Tricalysiolide E is a natural product found in Diplospora fruticosa and Diplospora dubia with data available.
Molecule SMILES: COc1cc(O)c(C(=O)OC2CC3(C)C2=C(C=O)CC2CC(C)(C)CC23)c(C)c1Cl

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: Armillaricin is a benzoate ester and a sesquiterpenoid.
Molecule SMILES: COc1cc(O)c(C(=O)OC2CC3(C)C2=C(C=O)CC2CC(C)(C)CC23)c(C)c1Cl

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: Armillaricin is a natural product found in Armillaria mellea with data available.
Molecule SMILES: CN1C(=O)c2ccccc2-n2c(nc3ccccc3c2=O)C1Cc1ccccc1

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: 7-Benzyl-6-methyl-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione is a natural product found in Penicillium spathulatum and Agaricus with data available.
Molecule SMILES: CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)CC(OC)C(C)CN(Cc1cncnc1)C(C)CO2

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-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(5-pyrimidinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea is a lactam and an azamacrocycle.
Molecule SMILES: CC(=O)N1C(CO)C(c2ccccc2)C12CN(C(=O)Cc1ccccc1)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: 1-[(2R,3R)-1-acetyl-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]-2-phenylethanone is a member of benzenes, a ring assembly and a member of azetidines.
Molecule SMILES: CC1CC(O)C2(O)OC3CC4(C=O)C(=CCC5C4CCC4(C)C6(C7=CC(=O)OC7)CCC54O6)CC3OC2O1

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: (1R,7R,9S,11R,13S,14S,16R,18S,19S,22S,23S)-13,14-dihydroxy-11,22-dimethyl-23-(5-oxo-2H-furan-3-yl)-8,10,15,26-tetraoxaheptacyclo[21.2.1.01,22.02,19.05,18.07,16.09,14]hexacos-4-ene-18-carbaldehyde is a natural product found in Gomphocarpus sinaicus with data available.
Molecule SMILES: CNC1C(OC2C(OC3C(O)C(O)C(N=C(N)N)C(O)C3N=C(N)N)OC(C)C2(O)C=O)OC(CO)C(O)C1O.CNC1C(OC2C(OC3C(O)C(O)C(N=C(N)N)C(O)C3N=C(N)N)OC(C)C2(O)C=O)OC(CO)C(O)C1O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=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: Provide a description of this molecule <molecule_2d> .

assistant: Streptomycin sulfate (2:3) (salt) appears as an antibacterial. White to light gray or pale buff powder with faint amine-like odor.
Molecule SMILES: CNC1C(OC2C(OC3C(O)C(O)C(N=C(N)N)C(O)C3N=C(N)N)OC(C)C2(O)C=O)OC(CO)C(O)C1O.CNC1C(OC2C(OC3C(O)C(O)C(N=C(N)N)C(O)C3N=C(N)N)OC(C)C2(O)C=O)OC(CO)C(O)C1O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=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: Provide a description of this molecule <molecule_2d> .

assistant: Streptomycin sulfate is an aminoglycoside sulfate salt. It is functionally related to a streptomycin.
Molecule SMILES: CNC1C(OC2C(OC3C(O)C(O)C(N=C(N)N)C(O)C3N=C(N)N)OC(C)C2(O)C=O)OC(CO)C(O)C1O.CNC1C(OC2C(OC3C(O)C(O)C(N=C(N)N)C(O)C3N=C(N)N)OC(C)C2(O)C=O)OC(CO)C(O)C1O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=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: Provide a brief overview of this molecule <molecule_2d> .

assistant: Streptomycin Sulfate is the sulfate salt form of streptomycin, an aminoglycoside antibiotic derived from Streptomyces griseus with antibacterial property. Streptomycin sulfate binds to the S12 protein of the bacterial 30S ribosomal subunit, thereby inhibiting peptide elongation and protein synthesis, consequently leading to bacterial cell death.
Molecule SMILES: CC(=CC(O)CC(C)C1CCC2(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC12C)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: (23S)-3beta,23-Dihydroxy-5alpha-cycloart-24-en-26-oic acid is a natural product found in Abies chensiensis with data available.
Molecule SMILES: CC(C1CC2(C)OC2(C)C(=O)O1)C1CCC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CC(O)C4(C)C3CCC12C

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: Pubescenin is a natural product found in Physalis peruviana with data available.
Molecule SMILES: CCCCC(C)C1CCCC(OC)CCC(C)C=CC(=O)N2CCCC2C(=O)O1

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: Tricholide A is a natural product found in Trichodesmium thiebautii with data available.
Molecule SMILES: CC(C)C(C)C=CC(C)C1CCC2(C)C3=CCC4CC(O)CCC4(C)C3=CCC12C

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: (3S,5S,10S,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13,14-trimethyl-1,2,3,4,5,6,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol is a natural product found in Fomitopsis pinicola with data available.
Molecule SMILES: CC(C)=CCc1c2c(cc3c1OCC(c1ccc(O)cc1O)C3)C=CC(C)(C)O2

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: 4-[(7S)-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydro-6H-pyrano[3,2-g]chromen-7-yl]benzene-1,3-diol is a natural product found in Erythrina zeyheri with data available.
Molecule SMILES: NC(=O)c1cc[n+](CC2=C(C(=O)[O-])N3C(=O)C(NC(=O)C(c4ccccc4)S(=O)(=O)O)C3SC2)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: Cefsulodin is a semi-synthetic, third-generation cephalosporin antibiotic with a narrow spectrum of activity. Cefsulodin has activity against Pseudomonas aeruginosa and Staphylococcus aureus but little activity against other bacteria.
Molecule SMILES: COc1ccc(-c2coc3cc(OC4OC(C)C(O)C(O)C4O)c(OC)c(O)c3c2=O)cc1

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-hydroxy-6-methoxy-3-(4-methoxyphenyl)-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one is a natural product found in Pterocarpus marsupium with data available.
Molecule SMILES: CNCCCCC(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: N(6)-methyl-L-lysine is an L-lysine derivative that is L-lysine in which one of the hydrogens attached to N(6) is substituted by a methyl group. It is a L-lysine derivative and a non-proteinogenic L-alpha-amino acid. It is a conjugate base of a N(6)-methyl-L-lysinium(1+).
Molecule SMILES: CNCCCCC(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: N(6)-Methyllysine is a natural product found in Trypanosoma brucei and Apis cerana with data available.
Molecule SMILES: Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3cccc(CN)c3)nc21

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: Linkable PD173955 analogue is an analogue of PD173955 where the methylmercapto group is replaced by aminomethyl. It is a pyridopyrimidine and a dichlorobenzene. It is functionally related to a PD173955.
Molecule SMILES: O=C(O)C(=O)Nc1ccccc1C(=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: 2-(oxaloamino)benzoic acid is an (oxaloamino)benzoic acid. It is functionally related to an anthranilic acid.
Molecule SMILES: COc1cccc2c1C(OC)n1c-2c2c3c(cc(C)cc31)C=CC2=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: 1,2-[Methoxymethylene(6-methoxy-1,2-phenylene)]-7-methyl-1,3-dihydrobenzo[cd]indole-3-one is a natural product found in Streptomyces with data available.
Molecule SMILES: CC1=CC=CC(C)C(O)C(C)C(O)C(C)C2OC(=O)C(C=C(C)C(=O)c3c(O)c(C)c(O)c4c3C(=O)C=C(NC1=O)C4=O)C(O)C2C

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: Rifamycin Z is a lactam and an azamacrocycle.
Molecule SMILES: CC1=CC=CC(C)C(O)C(C)C(O)C(C)C2OC(=O)C(C=C(C)C(=O)c3c(O)c(C)c(O)c4c3C(=O)C=C(NC1=O)C4=O)C(O)C2C

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: Rifamycin Z is a natural product found in Amycolatopsis mediterranei with data available.
Molecule SMILES: CCCCCC=CC=CC(=O)CC=CCC=CCCCC(=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: Describe this molecule: <molecule_2d> .

assistant: 11-oxo-ETE-CoA is a 3-oxo-fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 11-oxo-ETE. It has a role as a human xenobiotic metabolite. It is a long-chain fatty acyl-CoA, an unsaturated fatty acyl-CoA, an oxo-fatty acyl-CoA and an enone. It is functionally related to an 11-oxo-ETE. It is a conjugate acid of an 11-oxo-ETE-CoA(4-).
Molecule SMILES: CNCC(NC(=O)CC(O)CC(O)C(CO)NC(=O)C(NC(=O)C(CNC)NC(=O)C(C)NC(=O)C(O)C(O)CC(O)CCCCN)C(N)CCCCN)C(=O)NCC(=O)NCCCNCCCCN

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: Paenilamicin A1 is a natural product found in Paenibacillus larvae with data available.
Molecule SMILES: [NH3+]CCCC[NH2+]CCC[NH3+]

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: Spermidine(3+) is an ammonium ion that is the trication of spermidine, formed by protonation at all three nitrogens. It has a role as a human metabolite and a fundamental metabolite. It is an ammonium ion derivative and an organic cation. It is a conjugate acid of a spermidine.
Molecule SMILES: C=CCCCCCCCCCCCCCCCCCCCCCC

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-Tetracosene is a natural product found in Aspergillus ustus, Hamamelis virginiana, and other organisms with data available.
Molecule SMILES: CNCC1OCCCCC(C)Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2C(=O)N(C(C)CO)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: 4-fluoro-N-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide is a lactam and an azamacrocycle.
Molecule SMILES: CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)([O-])OP(=O)([O-])OC1OC(CO)C(OC2OC(CO)C(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: Please give me some details about this molecule <molecule_2d> .

assistant: Beta-D-Glc-(1->4)-alpha-D-Glc-1-diphospho-ditrans,polycis-undecaprenol(2-) is an organophosphate oxoanion that is the dianion of beta-D-Glc-(1->4)-alpha-D-Glc-1-diphospho-ditrans,polycis-undecaprenol arising from deprotonation of both free diphosphate OH groups; major species at pH 7.3. It is a conjugate base of a beta-D-Glc-(1->4)-alpha-D-Glc-1-diphospho-ditrans,polycis-undecaprenol.
Molecule SMILES: CC(O)Cc1cc2cc(OC3OC(CO)C(O)C3O)cc(O)c2c(=O)o1

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: Daldiniside C is a glycoside.
Molecule SMILES: CC(O)Cc1cc2cc(OC3OC(CO)C(O)C3O)cc(O)c2c(=O)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 description of this molecule <molecule_2d> .

assistant: Daldiniside C is a natural product found in Daldinia eschscholtzii with data available.
Molecule SMILES: CC1(CO)CCCC2(C)C1CCC13CC(CCC21)C1(C)OC31

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: [(1R,4S,5S,9S,10S,13R,14R,16S)-5,9,14-trimethyl-15-oxapentacyclo[11.3.1.01,10.04,9.014,16]heptadecan-5-yl]methanol is a natural product found in Plectranthus fruticosus with data available.
Molecule SMILES: CC1=CC2OC3CC(=O)C(C)(C2(C)CC1O)C31CO1

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: Stachybotrichodermone A is a natural product found in Stachybotrys with data available.
Molecule SMILES: CC=C(CCC(C)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(OC(C)=O)C(C)C1CC3)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: <molecule_2d> What do you know about the molecule?

assistant: [(3S,4S,5S,10S,13R,14R,17R)-4,10,13,14-tetramethyl-17-[(Z,2R)-5-propan-2-ylhept-5-en-2-yl]-1,2,3,4,5,6,7,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate is a natural product found in Phaseolus vulgaris with data available.
Molecule SMILES: CC(=O)OC1C=CC=C2CC3(O)C(=O)N(C)C(CO)(SSC45CC6=CC=CC(OC(C)=O)C6N4C(=O)C(O)(CO)N(C)C5=O)C(=O)N3C21

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: Dechdigliotoxin C is a natural product found in Aspergillus cejpii with data available.
Molecule SMILES: CCCCCCCCCCCCCC=C(C(=O)OC)C(O)C(C)=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: methyl 2-[(1S)-1-hydroxy-2-oxopropyl]hexadec-2-enoate is a natural product found in Cinnamomum subavenium with data available.
Molecule SMILES: OC1C=Cc2ccccc2C1O

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: (1R,2S)-1,2-dihydronaphthalene-1,2-diol is the cis-1,2-dihydronaphthalene-1,2-diol with a (1R,2S)-configuration. It is an enantiomer of a (1S,2R)-1,2-dihydronaphthalene-1,2-diol.
Molecule SMILES: OC1C=Cc2ccccc2C1O

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: (1R, 2S)-cis 1,2 dihydroxy-1,2-dihydronaphthalene is a solid. This compound belongs to the naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings. Known drug targets of (1R, 2S)-cis 1,2 dihydroxy-1,2-dihydronaphthalene include naphthalene 1,2-dioxygenase subunit beta and naphthalene 1,2-dioxygenase subunit alpha.
Molecule SMILES: CN1C(=O)C(Cc2ccc(O)cc2)NC(=O)CNC(=O)C(Cc2ccc3ccccc3c2)NC(=O)C(CCCN=C(N)N)NC(=O)C1CCCNC(=O)c1ccc(CNC(=O)CN2CCN(CC(=O)[O-])CCN(CC(=O)[O-])CCN(CC(=O)[O-])CC2)cc1.[Ga+3]

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: Gallium Ga 68 Boclatixafortide is a radioconjugate composed of a synthetic, cyclic pentapeptide analog of stromal-cell derived factor-1 (SDF-1 or CXCL12), which is a ligand for chemokine receptor C-X-C chemokine receptor type 4 (CXCR4), that is radiolabeled, via the macrocyclic chelating agent dodecanetetraacetic acid (DOTA), with the radioisotope gallium Ga 68 (Ga68; 68Ga), with potential use for imaging CXCR4-expressing cells upon positron emission tomography (PET)/computed tomography (CT). Upon administration of 68Ga pentixafor, the pentixafor moiety targets and binds to CXCR4-expressing cancer cells. Upon PET/CT, CXCR4-expressing cancer cells can be visualized and the expression status of the receptor can be assessed. CXCR4, a marker of poorly differentiated cells, is overexpressed on various cancer cells, and plays a key role in tumor growth, progression, invasiveness and metastasis.
Molecule SMILES: CC1=CC23CC(C)(C)CC2(O)C(C)CCC1O3

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: (1S,5R,6R,9S)-3,3,6,10-tetramethyl-12-oxatricyclo[7.2.1.01,5]dodec-10-en-5-ol is a natural product found in Sinularia capillosa with data available.
Molecule SMILES: CC(=O)NC1C(OC2C(O)C(CO)OC(OC3C(O)C(CO)OC(OC4C(O)C(CO)OC(OC5C(CO)OC(OC6C(O)C(O)OC(CO)C6O)C(NC(C)=O)C5O)C4OC4OC(C)C(O)C(O)C4O)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: Provide a brief overview of this molecule <molecule_2d> .

assistant: Alpha-D-GalpNAc-(1->3)-[alpha-L-Fucp-(1->2)]-beta-D-Galp-(1->3)-alpha-D-GalpNAc-(1->3)-[alpha-L-Fucp-(1->2)]-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp is a branched amino octasaccharide made up from two repeating (1->3)-linked N-acetyl-alpha-D-galactosaminyl-(1->3)-[alpha-L-fucosyl-(1->2)]-beta-D-galactosyl units that are in turn joined to N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactose via a (1->4)-linkage. It is a glucosamine oligosaccharide, a galactosamine oligosaccharide and an amino octasaccharide.
Molecule SMILES: CCCCCCCCCCCC(=O)CC(=O)NC1CCOC1=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: 3-oxo-N-[(3S)-2-oxotetrahydrofuran-3-yl]tetradecanamide is a monocarboxylic acid amide that is tetradecanamide substituted by an oxo group at position 3 and a (3S)-2-oxotetrahydrofuran-3-yl group at the N atom. It is a gamma-lactone, a member of furans and a monocarboxylic acid amide.
Molecule SMILES: C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C2C(=O)OCCC21O

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: (3R,4S,4aR)-4-ethenyl-4a-hydroxy-3-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,5,6-tetrahydropyrano[3,4-c]pyran-8-one is a natural product found in Ixanthus viscosus with data available.
Molecule SMILES: CCCCCC(=O)CCC=CC=CC=CC(O)C(O)CCCC(=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: 13,14-dihydro-15-oxolipoxin A4 is a C20 hydroxy fatty acid obtained by formal hydrogenation across the 13,-14-double bond of 15-oxolipoxin A4. It has a role as a human metabolite. It is an oxo fatty acid, a long-chain fatty acid, a trienoic fatty acid, an icosanoid and a hydroxy polyunsaturated fatty acid. It is a conjugate acid of a 13,14-dihydro-15-oxolipoxin A4(1-).