IDEA-AI4S/PubChemSFT huggingface dataset:
Molecule SMILES: O=C(O)C=Cc1ccc(C(=O)O)o1

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: (E)-5-(2-carboxyvinyl)-furan-2-carboxylic acid is a natural product found in Coriolopsis with data available.
Molecule SMILES: C=C1C(O)CC2C(C)(CCC=C(C)C)CCCC2(C)C1CCC(C)=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: Given the molecule <molecule_2d>, what can you tell me about it?

assistant: (E)-5-[3-hydroxy-5,8a-dimethyl-2-methylidene-5-(4-methylpent-3-enyl)-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enoic acid is a natural product found in Ircinia with data available.
Molecule SMILES: CC1CCCCOC(CN(C)C(=O)CCC(F)(F)F)C(C)CN(C(C)CO)C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2O1

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-[[(3S,9S,10S)-16-(benzenesulfonamido)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-4,4,4-trifluoro-N-methylbutanamide is an azamacrocycle and a lactam.
Molecule SMILES: CC1CCC2(OC1)OC1CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(OC7OC(CO)C(O)C(O)C7O)C6O)CCC5(C)C4CCC3(C)C1C2C

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,3R,4R,5R,6S)-2-[(2R,3R,4R,5R,6R)-5-hydroxy-2-(hydroxymethyl)-6-[(1S,2S,4S,5'S,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol is a natural product found in Asparagus setaceus with data available.
Molecule SMILES: CC(=O)OC1CC2(C)C(=O)CCC(C)=C2C2OC(=O)C(C)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: (3S)-3beta,5aalpha,9-Trimethyl-4beta-acetoxy-3abeta,4,5,7,8,9balpha-hexahydronaphtho[1,2-b]furan-2,6(3H,5aH)-dione is a natural product found in Artemisia herba-alba with data available.
Molecule SMILES: CC(=O)Oc1c(C)cc(O)c(C)c1C

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: 4-Hydroxy-2,3,6-trimethylphenyl acetate is a member of phenols and a benzoate ester.
Molecule SMILES: COc1cc(O)ccc1C1COc2cc(O)cc(OC)c2C1=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',7-Dihydroxy-2',5-dimethoxyisoflavanone is a member of flavonoids and an ether.
Molecule SMILES: CCOC(=O)c1cc(OC)cc(OC)c1C(=O)CC

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: Ethyl 3,5-dimethoxy-2-propionylbenzoate is a natural product found in Parengyodontium album with data available.
Molecule SMILES: COc1ccc(CN2C(CO)C3c4ccccc4N(C(=O)Nc4ccc(F)cc4)CC32)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: (1S,2aR,8bR)-N-(4-fluorophenyl)-1-(hydroxymethyl)-2-[(4-methoxyphenyl)methyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-4-carboxamide is a member of quinolines.
Molecule SMILES: CC(CCCC(C)C1CCC2C3=CC(=O)C4CC(O)CCC4(C)C3CCC21C)COS(=O)(=O)O

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

user: Provide a brief overview of this molecule <molecule_2d> .

assistant: Asterasterol B is a natural product found in Asteriidae with data available.
Molecule SMILES: COc1cc(C=CC(=O)N2CC=CC2=O)cc(OC)c1OC

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-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-2H-pyrrol-5-one is a natural product found in Piper sarmentosum with data available.
Molecule SMILES: CC1OC(Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(OC4OC(CO)C(O)C(O)C4O)cc(O)c3c2=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: Provide a brief overview of this molecule <molecule_2d> .

assistant: 5-hydroxy-7-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one is a natural product found in Lithophragma bolanderi with data available.
Molecule SMILES: O=C(NCCNCC(O)COc1ccc(O)cc1)N1CCOCC1

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: Xamoterol is a member of morpholines.
Molecule SMILES: O=C(NCCNCC(O)COc1ccc(O)cc1)N1CCOCC1

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: Xamoterol is a β1-adrenoceptor partial agonist that has shown to improve systolic and diastolic function in studies with heart failure patients. It modulates the sympathetic control of the heart but has no agonist action on β2-adrenoceptors.
Molecule SMILES: COc1cc2c(cc1O)C(Cc1ccc(O)cc1)N(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> The above is a compound. Could you please tell me something about it?

assistant: (S)-N-methylcoclaurine is the (S)-enantiomer of N-methylcoclaurine. It has a role as a mouse metabolite. It is a conjugate base of a (S)-N-methylcoclaurinium(1+). It is an enantiomer of a (R)-N-methylcoclaurine.
Molecule SMILES: COc1cc2c(cc1O)C(Cc1ccc(O)cc1)N(C)CC2

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: (S)-N-Methylcoclaurine is a natural product found in Delphinium pentagynum, Damburneya salicifolia, and other organisms with data available.
Molecule SMILES: CC1=C2C(=O)CC2(C)C2CC3CC(O)C(C)C2(CC1)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: Tell me something about this molecule: <molecule_2d>

assistant: Harzianone A is a natural product found in Trichoderma harzianum with data available.
Molecule SMILES: O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)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 brief overview of this molecule <molecule_2d> .

assistant: Kaempferol 3-O-beta-L-glucopyranoside is a kaempferol O-glucoside that is kaempferol attached to a beta-L-glucopyranosyl moiety at position 3 via a glycosidic linkage. It has a role as a metabolite. It is a beta-L-glucoside, a kaempferol O-glucoside, a monosaccharide derivative, a trihydroxyflavone and a member of flavonols. It is functionally related to a beta-L-glucose.
Molecule SMILES: O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)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: kaempferol 3-O-beta-L-glucopyranoside is a natural product found in Atraphaxis frutescens, Sorbaria sorbifolia, and other organisms with data available.
Molecule SMILES: OCC1C(c2ccc(-c3ccccc3F)cc2)C2CN(Cc3cncnc3)CCCCN12

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: [(8R,9S,10R)-9-[4-(2-fluorophenyl)phenyl]-6-(5-pyrimidinylmethyl)-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol is a member of biphenyls.
Molecule SMILES: CC1CCC2(OC1)OC1CC3C4CC(O)C5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(O)CC5(C)C4CCC3(C)C1C2C

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: Turoside is a natural product found in Allium schubertii with data available.
Molecule SMILES: CC1(C(O)COC2OC(CO)C(O)C(O)C2O)C=C2CCC3C(C)(C)C(=O)C(O)CC3(C)C2CC1

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: (3S,4aS,4bR,7S,10aS)-3-hydroxy-7-[(1R)-1-hydroxy-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-1,1,4a,7-tetramethyl-3,4,4b,5,6,9,10,10a-octahydrophenanthren-2-one is a natural product found in Oedera calycina with data available.
Molecule SMILES: CC(C)CCCC(C)C1CCC(C2=CC3OC34CC(O)CCC4(C)C2=O)C1(C)CC=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: 3beta-Hydroxy-9-oxo-5,6alpha-epoxy-9,11-seco-5alpha-cholest-7-en-11-al is a natural product found in Spongia agaricina and Spongia matamata with data available.
Molecule SMILES: CC1CN(C(C)CO)S(=O)(=O)c2ccc(C#Cc3ccncc3)cc2OC1CN(C)C(=O)Nc1ccc2c(c1)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-(1,3-benzodioxol-5-yl)-1-[[(4R,5R)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-(2-pyridin-4-ylethynyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methylurea is a member of benzodioxoles.
Molecule SMILES: C=C1C(=O)OC2C3C(C)=CC(=O)C3=C(C)CC(OC(=O)C(=CCO)COC(=O)C(=CC)CO)C12

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,4R,9aS,9bR)-6,9-dimethyl-3-methylidene-2,7-dioxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl] (E)-4-hydroxy-2-[[(E)-2-(hydroxymethyl)but-2-enoyl]oxymethyl]but-2-enoate is a natural product found in Hymenopappus scabiosaeus with data available.
Molecule SMILES: CC(CCC1(O)OC2CC3C4CC=C5CC(OC6OC(CO)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(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: Tell me something about this molecule: <molecule_2d>

assistant: (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(1S,2S,4S,6R,7S,8R,9S,12S,13R,16S)-6-hydroxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol is a natural product found in Maianthemum atropurpureum with data available.
Molecule SMILES: OCC1OC(OCC2=COC(OC3OC(CO)C(O)C(O)C3O)C3C=CC(O)C23)C(O)C(O)C1O

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

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

assistant: (2R,3R,4S,5S,6R)-2-[[(1S,4aS,5R,7aR)-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol is a natural product found in Mentzelia lindleyi with data available.
Molecule SMILES: CC1COC(=O)C2C(C)C(OC3OC(CO)C(O)C(O)C3O)CC12

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: Nepetaside is a terpene glycoside that is beta-D-glucopyranose in which the hydrogen of the hydroxy group at position 1R is replaced by a (4R,4aR,6R,7R,7aS)-4,7-dimethyl-1-oxooctahydrocyclopenta[c]pyran-6-yl group. It is a plant metabolite isolated from Nepeta cataria. It has a role as a plant metabolite. It is a terpene glycoside, an iridoid monoterpenoid, a beta-D-glucoside and an organic heterobicyclic compound.
Molecule SMILES: CC1COC(=O)C2C(C)C(OC3OC(CO)C(O)C(O)C3O)CC12

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: (-)-Nepetaside is a natural product found in Nepeta cataria with data available.
Molecule SMILES: O=c1ccn(C2OC(CO)C(O)C2(F)F)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: Tell me something about this molecule: <molecule_2d>

assistant: 2',2'-difluoro-2'-deoxyuridine is a pyrimidine 2'-deoxyribonucleoside that is uridine in which the hydroxy group at position 2' has been replaced by two fluoro substituents. It is a metabolite of the drug gemcitabine. It has a role as a marine xenobiotic metabolite. It is a pyrimidine 2'-deoxyribonucleoside and an organofluorine compound.
Molecule SMILES: COc1cc(C=CC(=O)OCC2OC(OC3C(Oc4cc5c(OC6OC(CO)C(O)C(O)C6O)cc(O)cc5[o+]c4-c4ccc(O)c(O)c4)OC(COC(=O)C=Cc4ccc(O)c(O)c4)C(O)C3O)C(O)C(O)C2O)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: Cyanidin-3-caffeoyl-feruloyl sophoroside-5-glucoside is an anthocyanidin glycoside.
Molecule SMILES: COc1cc(C=CC(=O)OCC2OC(OC3C(Oc4cc5c(OC6OC(CO)C(O)C(O)C6O)cc(O)cc5[o+]c4-c4ccc(O)c(O)c4)OC(COC(=O)C=Cc4ccc(O)c(O)c4)C(O)C3O)C(O)C(O)C2O)ccc1O

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

user: Please give me some details about this molecule <molecule_2d> .

assistant: Cyanidin-3-caffeoyl-feruloyl sophoroside-5-glucoside is a natural product found in Raphanus sativus with data available.
Molecule SMILES: CC(C=CC=C(CO)C(N)=O)C(O)C(C)C(O)C(C)C1OC2(C)CCC(O2)C1C

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: saliniketal B is a natural product found in Salinispora arenicola with data available.
Molecule SMILES: O=C(c1ccc(O)c(F)c1)N(c1ccc(O)cc1)c1ccc(F)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: GTX-758 is under investigation in clinical trial NCT01420861 (GTx-758 on Serum Prostate-specific Antigen (PSA) in Men With Castrate Resistant Prostate Cancer).
Molecule SMILES: O=C(c1ccc(O)c(F)c1)N(c1ccc(O)cc1)c1ccc(F)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: Estrogen Receptor Agonist GTx-758 is an orally available, nonsteroidal selective estrogen receptor (ER) alpha agonist with potential antineoplastic activity. Upon administration of GTx-758, this agent suppresses the secretion of the gonadotropins follicle-stimulating hormone (FSH) and luteinizing hormone (LH) by the pituitary gland through feedback inhibition. In males, the inhibition of LH secretion prevents the synthesis of androgens, including testosterone, by the testes. This may result in suppressed total serum testosterone to the levels observed in castration.
Molecule SMILES: COc1ccc2c(c1O)OCC1c3ccc(OC4OC(CO)C(O)C(O)C4O)cc3OC21

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: (6aR)-3-Methoxy-9-(beta-D-glucopyranosyloxy)-6aalpha,11aalpha-dihydro-6H-benzofuro[3,2-c][1]benzopyran-4-ol is a natural product found in Crotalaria trichotoma with data available.
Molecule SMILES: OCC1=CC(O)C2(O)C=COC(OC3OC(CO)C(O)C(O)C3O)C12

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: Monomelittoside is a natural product found in Plantago media, Stachys lavandulifolia, and other organisms with data available.
Molecule SMILES: CC(=O)OCC1OC(Oc2ccc(C(=O)C=Cc3ccc(O)c(O)c3)c(O)c2O)C(O)C(OC(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: 2',3,3',4-Tetrahydroxy-4'-(3-O,6-O-diacetyl-beta-D-glucopyranosyloxy)-trans-chalcone is a natural product found in Bidens pilosa with data available.
Molecule SMILES: O=C1CC2OCCN12

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: 4-Oxa-1-azabicyclo[3.2.0]heptan-7-one is a natural product found in Streptomyces clavuligerus and Streptomyces cattleya with data available.
Molecule SMILES: O=C(O)CC(=O)OCC1OC(Oc2cc3c(O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)C(O)C(O)C1O

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

user: Could you provide a description of this molecule <molecule_2d> ?

assistant: Delphinidin 3-(6''-malonylglucoside) is an anthocyanidin glycoside.
Molecule SMILES: O=C(C=Cc1ccc(O)cc1)OC1C(Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c2)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> The above is a compound. Could you please tell me something about it?

assistant: 2''-O-(4-Hydroxy-E-cinnamoyl)cosmosiin is a natural product found in Itoa orientalis and Echinops echinatus with data available.
Molecule SMILES: COc1cc2c(cc1O)C(C)N(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> The above is a compound. Could you please tell me something about it?

assistant: 1,2-Dimethyl-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol is a natural product found in Allenrolfea occidentalis and Corydalis ambigua with data available.
Molecule SMILES: CC(=O)NC1C(O)OC(COC2OC(C)C(O)C(O)C2O)C(OC2OC(CO)C(OC3OC(COC4OC(CO)C(O)C(O)C4OC4OC(CO)C(OC5OC(CO)C(O)C(O)C5O)C(O)C4NC(C)=O)C(OC4OC(CO)C(OC5OC(CO)C(O)C(O)C5O)C(O)C4NC(C)=O)C(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(OC5OC(CO)C(O)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: Could you give me a brief overview of this molecule <molecule_2d> ?

assistant: Beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->2)-alpha-D-Manp-(1->3)-[beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->4)]-[beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->2)-alpha-D-Manp-(1->6)]-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-[alpha-L-Fucp-(1->6)]-D-GlcpNAc is an oligosaccharide derivative derived from a dodecasaccharide comprising a linear trisaccharide of beta-D-mannosyl, N-acetyl-beta-D-glucosaminyl and N-acetyl-D-glucosamine residues linked (1->4) and (1->4), to the D-mannosyl residue of which are glycosidically linked two beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->2)-alpha-D-mannosyl trisaccharide units [linked (1->3) and (1->6)] and a beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl disaccharide unit [linked (1->4)], while the terminal N-acetyl-D-glucosamine carries an alpha-L-fucosyl residue via a (1->6) linkage. It is an amino oligosaccharide and a glucosamine oligosaccharide.
Molecule SMILES: C=C1C(CCl)(CCl)C2(Cl)C(Cl)C(Cl)C1(Cl)C2(Cl)Cl

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: Toxaphene was one of the most heavily used pesticides in the United States in the 1970s and early 1980s. It was used primarily to control insect pests on cotton and other crops in the southern United States. Other uses included controlling insect pests on livestock and killing unwanted fish in lakes. Toxaphene was banned for all registered uses by 1990. Toxaphene is made by reacting chlorine gas with a substance called camphene. The resulting product (toxaphene) is a mixture of hundreds of different chlorinated camphenes and related chemicals.
Molecule SMILES: C=C1C(CCl)(CCl)C2(Cl)C(Cl)C(Cl)C1(Cl)C2(Cl)Cl

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: Toxaphene is a yellow, waxy solid with a pleasant piney odor. Used as an insecticide, primarily for cotton and early growth stages of vegetables. Also peas, soybeans, peanut, corn, and wheat. Not produced commercially in the U.S. since 1982. Only registered for scabies control on cattle in the U.S. (EPA, 1998)
Molecule SMILES: C=C1C(CCl)(CCl)C2(Cl)C(Cl)C(Cl)C1(Cl)C2(Cl)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: Toxaphene was a widely used pesticide on cotton, other crops, and in livestock and poultry. In 1982, most of its uses were cancelled and in 1990, all uses were cancelled in the United States. The major effect of toxaphene is central nervous system (CNS) stimulation, which results in convulsive seizures. No studies are available on acute (short-term) inhalation exposure to toxaphene in humans or animals. Chronic (long- term) inhalation exposure to toxaphene in humans results in reversible respiratory toxicity, while chronic, oral exposure in animals has resulted in effects on the liver, kidney, spleen, adrenal and thyroid glands, CNS, and the immune system. Animal studies have reported an increased incidence of thyroid gland tumors and liver tumors via ingestion. EPA has classified toxaphene as a Group B2, probable human carcinogen.
Molecule SMILES: C=C1C(CCl)(CCl)C2(Cl)C(Cl)C(Cl)C1(Cl)C2(Cl)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: Toxaphene is a synthetic mixture of chlorinated camphenes with a yellow waxy appearance that is practically insoluble in water and soluble in aromatic hydrocarbons. Toxaphene had been used as a pesticide in the US before and all uses were banned in 1990. When heated to decomposition, toxaphene emits toxic fumes of hydrochloric acid and other chlorinated compounds. Exposure of humans to toxaphene causes stimulation of the central nervous system, which results in convulsive seizures. It is reasonably anticipated to be a human carcinogen. (NCI05)