IDEA-AI4S/PubChemSFT huggingface dataset:
Molecule SMILES: COc1cc2c3c4c1OCc1cc(ccc1O4)CC1c4c(cc(OC)c5c4Oc4cc(ccc4CO5)CC3N(C)CC2)CCN1C

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: (1R,17R)-11,27-dimethoxy-16,32-dimethyl-8,25,35,38-tetraoxa-16,32-diazanonacyclo[20.10.3.26,10.13,7.19,13.119,23.026,34.029,33.017,37]tetraconta-3(40),4,6,9(37),10,12,19(36),20,22,26,28,33-dodecaene is a natural product found in Antizoma angustifolia with data available.
Molecule SMILES: CC(C)=CC(=O)N(C)C1CCC2(C)C(CCC3C2CCC2(C)C3CCC2C(C)N(C)C)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: Pachysamine B is a natural product found in Pachysandra axillaris and Pachysandra procumbens with data available.
Molecule SMILES: O=C(O)CC1OC(=O)c2c(O)cc(O)cc21

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

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

assistant: 2-[(1S)-4,6-dihydroxy-3-oxo-1H-2-benzofuran-1-yl]acetic acid is a natural product found in Cladosporium herbarum with data available.
Molecule SMILES: CCCCCCCCCCCC(=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: Tell me something about this molecule: <molecule_2d>

assistant: 5-keto palmitic acid is a long-chain fatty acid.
Molecule SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC(O)COP(=O)(O)OCC(NC(=O)CCCCCCCCCCCCCCC)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: N-hexadecanoyl-O-(1-octadecanoyl-sn-glycero-3-phospho)-L-serine is an N-acyl-O-(3-sn-phosphatidyl)-L-serine obtained by formal condensation of the carboxy group of hexadecanoic acid with the amino group of 1-octadecanoyl-sn-glycero-3-phospho-L-serine It is functionally related to a 1-stearoyl-sn-glycero-3-phosphoserine. It is a conjugate acid of a N-hexadecanoyl-O-(1-octadecanoyl-sn-glycero-3-phospho)-L-serine(2-).
Molecule SMILES: COc1cc(-c2cc(=O)c3c(O)cc(OC4OC(COC(C)=O)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)cc3o2)ccc1O

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: [(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-7-yl]oxy-5-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate is a natural product found in Asperula oppositifolia with data available.
Molecule SMILES: Clc1ccc2nsnc2c1NC1=NCCN1

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: Tizanidine is a commonly used muscle relaxant that has been linked to rare instances of acute liver injury, a few of which have been fatal.
Molecule SMILES: Clc1ccc2nsnc2c1NC1=NCCN1

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: Tizanidine is 2,1,3-Benzothiadiazole substituted at C-4 by a Delta(1)-imidazolin-2-ylamino group and at C-4 by a chloro group. It is an agonist at alpha2-adrenergic receptor sites. It has a role as an alpha-adrenergic agonist and a muscle relaxant. It is a benzothiadiazole and a member of imidazoles.
Molecule SMILES: Clc1ccc2nsnc2c1NC1=NCCN1

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: Tizanidine is a fast-acting drug used for the management of muscle spasm, which may result from the effects of multiple sclerosis, stroke, an acquired brain injury, or a spinal cord injury.  It may also be caused by musculoskeletal injury.  Regardless of the cause, muscle spasticity can be an extremely painful and debilitating condition.   Initially approved by the FDA in 1996, tizanidine is an Alpha-2 adrenergic receptor agonist reducing spasticity by the presynaptic inhibition of excitatory neurotransmitters that cause firing of neurons promoting muscle spasm.
Molecule SMILES: Clc1ccc2nsnc2c1NC1=NCCN1

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: Tizanidine is a Central alpha-2 Adrenergic Agonist. The mechanism of action of tizanidine is as an Adrenergic alpha2-Agonist.
Molecule SMILES: Clc1ccc2nsnc2c1NC1=NCCN1

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: Tizanidine is a short-acting drug for the management of spasticity. Tizanidine is an agonist at a2-adrenergic receptor sites and presumably reduces spasticity by increasing presynaptic inhibition of motor neurons. In animal models, tizanidine has no direct effect on skeletal muscle fibers or the neuromuscular junction, and no major effect on monosynaptic spinal reflexes. The effects of tizanidine are greatest on polysynaptic pathways. The overall effect of these actions is thought to reduce facilitation of spinal motor neurons.
Molecule SMILES: C=C(CCC1(OC)OC2CC3C4CCC5CC(O)CC(OC6OC(C)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C5(C)C4CCC3(C)C2C1C)COC1OC(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: <molecule_2d> The above is a compound. Could you please tell me something about it?

assistant: (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-2-[[(1S,2S,4S,6R,7S,8R,9S,12S,13S,14R,16S,18S)-16-hydroxy-6-methoxy-7,9,13-trimethyl-6-[3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]but-3-enyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-14-yl]oxy]-6-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol is a natural product found in Dracaena concinna with data available.
Molecule SMILES: COc1c2c(cc3c1C1C(c4ccc5c(c4CN1C)OCO5)C(O)C3)OCO2

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-Methoxy-24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-12-ol is a natural product found in Chelidonium majus with data available.
Molecule SMILES: CC(NC(CCc1ccccc1)C(=O)O)C(=O)N1Cc2ccccc2CC1C(=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: The active metabolite of the prodrug [quinapril].
Molecule SMILES: CC(NC(CCc1ccccc1)C(=O)O)C(=O)N1Cc2ccccc2CC1C(=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: Quinaprilat is a dicarboxylic acid resulting from the hydrolysis of the ethyl ester group of quinapril to give the corresponding dicarboxylic acid. The active angiotensin-converting enzyme inhibitor (ACE inhibitor) of the prodrug quinapril. It has a role as an EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor, an antihypertensive agent and a vasodilator agent. It is a dicarboxylic acid, a member of isoquinolines and a tertiary carboxamide.
Molecule SMILES: CC(NC(CCc1ccccc1)C(=O)O)C(=O)N1Cc2ccccc2CC1C(=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: Quinaprilat is an Angiotensin Converting Enzyme Inhibitor. The mechanism of action of quinaprilat is as an Angiotensin-converting Enzyme Inhibitor.
Molecule SMILES: COc1ccc(-c2oc3cc(OC(C)=O)cc(OC4OC(C)C(O)C(O)C4O)c3c(=O)c2OC2OC(C)C(O)C(O)C2O)cc1

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

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

assistant: [2-(4-methoxyphenyl)-4-oxo-3,5-bis[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy]chromen-7-yl] acetate is a natural product found in Chiococca alba with data available.
Molecule SMILES: COC(=O)C12CCC(C)(C)CC1C1=CCC3C4(C)CCC(OC(C)=O)C(C)(C)C4CCC3(C)C1(C)CC2

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: methyl (4aS,6aS,6aS,6bR,8aR,10S,12aR,14bS)-10-acetyloxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate is a natural product found in Machaerium lunatum with data available.
Molecule SMILES: CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(C[N+]3(C)CCCC3)CSC12)c1csc(N)n1

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: Cefepime Hydrochloride is the hydrochloride salt of a semi-synthetic, beta-lactamase-resistant, fourth-generation cephalosporin antibiotic derived from an Acremonium fungal species with broad-spectrum bactericidal activity. Administered parenterally, cefepime inhibits bacterial cell wall synthesis by binding to and inactivating penicillin-binding proteins (PBP) located on the inner membrane of the bacterial cell wall. Inactivation of PBPs interferes with the cross-linkage of peptidoglycan chains necessary for bacterial cell wall strength and rigidity, resulting in a reduction of bacterial cell wall stability and cell lysis. This agent is more active against a variety of Gram-positive pathogens compared to third-generation cephalosporins.
Molecule SMILES: O=C1c2cc([N+](=O)[O-])ccc2-c2c1cc([N+](=O)[O-])cc2[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: Provide a brief overview of this molecule <molecule_2d> .

assistant: 2,4,7-trinitrofluoren-9-one appears as pale yellow needles (from acetic acid or benzene) or yellow powder. (NTP, 1992)
Molecule SMILES: CC=C(C)C(=O)OC1CCC2(C)C3CCC4C5(O)C(O)C(O)C6C(CN7CC(C)CCC7C6(C)O)C5CC42OCC13O

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

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

assistant: [(1S,2S,5S,6S,9S,10S,13R,15S,16S,20S,23S,24S,25R,26R,27S)-1,10,24,26,27-pentahydroxy-6,20,24-trimethyl-12-oxa-18-azaheptacyclo[13.12.0.02,13.05,10.06,13.016,25.018,23]heptacosan-9-yl] (Z)-2-methylbut-2-enoate is a natural product found in Veratrum oblongum with data available.
Molecule SMILES: COC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CC(O)C5(C)CCC34C)C2(C)CO)C(OC2OC(CO)C(O)C(O)C2OC2OC(C)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: Provide a description of this molecule <molecule_2d> .

assistant: Methyl 5-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-3,4-dihydroxy-6-[[9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]oxane-2-carboxylate is a natural product found in Astragalus mongholicus and Astragalus membranaceus with data available.
Molecule SMILES: CCC(O)CC12C3CC4C5C(C)C(=C6OC(=O)C(C)=C6OC)OC5(O3)C1CCN42

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: 5-[9-(2-Hydroxybutyl)-4-methyl-2,14-dioxa-10-azapentacyclo[6.5.1.01,5.06,10.09,13]tetradecan-3-ylidene]-4-methoxy-3-methylfuran-2-one is a natural product found in Stemona cochinchinensis and Stemona burkillii with data available.
Molecule SMILES: CCCCCCCCCCCCCCCCOCC(COC(C)=O)OC1OCC(O)C(O)C1O

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

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

assistant: [(2S)-3-hexadecoxy-2-[(2S,3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxypropyl] acetate is a natural product found in Lobophytum crassum with data available.
Molecule SMILES: CCCCC(=O)OC(C)C

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: Isopropyl valerate is a natural product found in Globicephala macrorhynchus and Globicephala melas with data available.
Molecule SMILES: Cc1noc(C)c1NC(=O)Nc1ccc2c(c1)C(=O)N(C)C1CCC(CC(=O)NCc3ccc(Cl)cc3)OC1CO2

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-[(2R,4aR,12aR)-8-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(4-chlorophenyl)methyl]acetamide is an organochlorine compound.
Molecule SMILES: O=C(OC1OC(CO)C(O)C(O)C1O)c1ccc(C2OC(CO)C(O)C(O)C2O)cc1

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: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 4-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzoate is a natural product found in Moricandia arvensis with data available.
Molecule SMILES: CC1(C)C=Cc2c(cc(O)c3c(=O)c(-c4ccc(O)cc4O)coc23)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: Parvisoflavone A is an isoflavonoid.
Molecule SMILES: CC1(C)C=Cc2c(cc(O)c3c(=O)c(-c4ccc(O)cc4O)coc23)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: Parvisoflavone A is a natural product found in Poecilanthe parviflora, Maclura pomifera, and other organisms with data available.
Molecule SMILES: O=C1OCC2OC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)c4c3C(=O)OC(C2OC(=O)c2cc(O)c(O)c(O)c2-c2c1cc(O)c(O)c2O)C1OC(=O)c2c-4c(O)c(O)c(O)c2C1C1(O)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: (1R,2R,20R,42S,46S)-7,8,9,12,13,14,25,26,27,30,31,32,35,36,37-pentadecahydroxy-46-[(2R,3R,4S,5S)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,18,21,41,43-pentaoxanonacyclo[27.13.3.138,42.02,20.05,10.011,16.023,28.033,45.034,39]hexatetraconta-5,7,9,11,13,15,23,25,27,29(45),30,32,34(39),35,37-pentadecaene-4,17,22,40,44-pentone is a natural product found in Terminalia catappa with data available.
Molecule SMILES: CC1OC(Oc2cc3oc(-c4ccc(O)cc4)cc(=O)c3c(O)c2OC2OCC(O)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: Describe this molecule: <molecule_2d> .

assistant: 5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxychromen-4-one is a natural product found in Triumfetta rhomboidea with data available.
Molecule SMILES: COc1c(OC)c(O)c2c(=O)c3c(O)c(OC)c(O)cc3oc2c1OC

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: 1,6,8-Trihydroxy-2,3,4,7-tetramethoxyxanthone is a natural product found in Securidaca longipedunculata with data available.
Molecule SMILES: O=C(NCc1c(F)cc(F)cc1F)c1cn2c(c([O-])c1=O)C(=O)N1C3CCC(C3)OC1C2

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: Bictegravir(1-) is an organic anion that is the conjugate base of bictegravir, obtained by deptotonation of the 8-hydroxy group. It is a conjugate base of a bictegravir.
Molecule SMILES: COc1cc(O)c(C2CC(CCc3ccc(O)cc3)OC(c3ccc(O)cc3)C2)c2c1C(=O)CC(c1ccc(O)cc1)O2

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: (2S)-4',7-Dihydroxy-5-methoxy-8-[[(2S)-2alpha-(4-hydroxyphenyl)-6alpha-(4-hydroxyphenethyl)tetrahydro-2H-pyran]-4alpha-yl]flavanone is a natural product found in Alpinia blepharocalyx and Alpinia roxburghii with data available.
Molecule SMILES: CC(C)CCC1=Nc2ccccc2C(=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: 2-(3-methylbutyl)-3H-quinolin-4-one is a natural product found in Pseudoalteromonas with data available.
Molecule SMILES: CC1CCCCOC(CN(C)C)C(C)CN(C(C)CO)C(=O)c2cc(NC(=O)Nc3ccc(F)cc3)ccc2O1

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-[(3S,9S,10S)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(4-fluorophenyl)urea is a lactam and an azamacrocycle.
Molecule SMILES: C=C1C(=CC=C2CCCC3(C)C2CCC3C(C)CCC(O)C(C)(C)O)CC(O)CC1O

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,3S)-5-[2-[(1R,3aS,7aR)-1-[(2R,5R)-5,6-dihydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol is a natural product found in Homo sapiens with data available.
Molecule SMILES: N#Cc1ccc(C(=O)Nc2nc(SCc3ccc(Cl)cc3)n[nH]2)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: N-[3-[(4-chlorophenyl)methylthio]-1H-1,2,4-triazol-5-yl]-4-cyanobenzamide is a member of benzamides.
Molecule SMILES: CC(=O)OC1=C2C=C(C)C(=O)C2C2OC2(C)CCC2C(CC1C)C2(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: [(1R,2R,4S,7S,9R,11R,12E)-4,8,8,11,15-pentamethyl-16-oxo-3-oxatetracyclo[11.3.0.02,4.07,9]hexadeca-12,14-dien-12-yl] acetate is a natural product found in Jatropha curcas with data available.
Molecule SMILES: OCC1OC(OC2C=CCCC2O)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: I'd like a short overview about this molecule <molecule_2d>. Can you do that?

assistant: (2S,3R,4S,5R,6R)-2-[(1R,6S)-6-hydroxycyclohex-2-en-1-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol is a natural product found in Itoa orientalis with data available.
Molecule SMILES: CC(C=CC12OC1(C)CCCC2(C)C)=CC=CC(C)=CC(=O)OC1OC(C(=O)O)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: I'd like a short overview about this molecule <molecule_2d>. Can you do that?

assistant: 1-O-(5,6-epoxyretinoyl)-beta-D-glucuronic acid is a retinoid that is 5,6-epoxyretinoic acid in which the carboxy proton has been replaced by a beta-D-glucuronyl residue. It has a role as a rat metabolite. It is a retinoid, a beta-D-glucosiduronic acid and an epoxide. It is functionally related to a 5,6-epoxyretinoic acid. It is a conjugate acid of a 1-O-(5,6-epoxyretinoyl)-beta-D-glucuronate.
Molecule SMILES: C=CC(C)(C)c1[nH]c2ccc(CC=C(C)C)cc2c1C=c1nc([O-])c(=C)[nH]c1=O

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

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

assistant: Isoechinulin B anion is major microspecies at pH 7.3. It is a conjugate base of an isoechinulin B.
Molecule SMILES: CCC(C)C(=O)OC1CCC2(CO2)C2(COC(C)=O)C(OC(C)=O)CC(C)C(C)(CC(OC(C)=O)C3=CC(=O)OC3)C12

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,4R,4aR,5S,7R,8S,8aR)-5-acetyloxy-4a-(acetyloxymethyl)-8-[(2S)-2-acetyloxy-2-(5-oxo-2H-furan-3-yl)ethyl]-7,8-dimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-1-yl] (2S)-2-methylbutanoate is a natural product found in Ajuga decumbens and Ajuga nipponensis with data available.
Molecule SMILES: COc1cc(S(=O)(=O)[O-])ccc1O.[K+]

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: Potassium 4-hydroxy-3-methoxybenzene-1-sulfonate is an organic potassium salt having 4-hydroxy-3-methoxybenzene-1-sulfonate as the counterion. Commonly used as an expectorant. It has a role as an expectorant. It is an organosulfonate salt and a potassium salt. It contains a 4-hydroxy-3-methoxybenzene-1-sulfonate.
Molecule SMILES: COC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)OC5OC(CO)C(O)C(O)C5O)CCC34C)C2(C)C)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1OC1OC(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> The above is a compound. Could you please tell me something about it?

assistant: Stipuleanoside R2 methyl ester is a natural product found in Panax stipuleanatus with data available.
Molecule SMILES: COc1ccc2c3c1OC1C(O)C=CC4C(C2)N(C)CCC341

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: 6-Isocodeine is a natural product found in Papaver somniferum with data available.
Molecule SMILES: CC(C)(C)NCC(O)COc1cccc2c1CCCC2=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: (+-)-5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydronaphthalen-1(2H)-one is a naphthalenone. It is a conjugate base of a (+-)-5-[3-(tert-butylammonio)-2-hydroxypropoxy]-3,4-dihydronaphthalen-1(2H)-one(1+).
Molecule SMILES: C=C1C(C)C2C(Cc3ccccc3)NC(=O)C23C(O)C2C=C(C)CC(C)CC(O)C2C3C1O

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: (1R,2R,3S,7R,9R,10S,11R,12S,14S,15R,16S)-16-benzyl-2,9,12-trihydroxy-5,7,14-trimethyl-13-methylidene-17-azatetracyclo[9.7.0.01,15.03,10]octadec-4-en-18-one is a natural product found in Phomopsis with data available.