IDEA-AI4S/PubChemSFT huggingface dataset:
Molecule SMILES: [NH3+]C(CCCC([NH3+])C(=O)[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: Could you provide a description of this molecule <molecule_2d> ?

assistant: (2S,6S)-2,6-diaminopimelic acid dizwitterion is a zwitterion that is derived from LL-2,6-diaminopimelic acid by deprotonation of both carboxylic acid groups and protonation of both amino groups. It has a role as an Escherichia coli metabolite. It is a tautomer of a LL-2,6-diaminopimelic acid.
Molecule SMILES: [NH3+]C(CCCC([NH3+])C(=O)[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: Could you give me a brief overview of this molecule <molecule_2d> ?

assistant: (2S,6S)-2,6-diaminoheptanedioate is a natural product found in Mycobacterium leprae, Streptomyces albidoflavus, and other organisms with data available.
Molecule SMILES: CCCCCC=CCC(O)C(O)CC=CCC=CCCCC(=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: (5Z,8Z,11R,12R,14Z)-11,12-dihydroxyicosatrienoic acid is a (5Z,8Z,14Z)-11,12-dihydroxyicosatrienoic acid in which the two stereocentres at positions 11 and 12 both have R-configuration. It is functionally related to an arachidonic acid. It is a conjugate acid of a (5Z,8Z,11R,12R,14Z)-11,12-dihydroxyicosatrienoate. It is an enantiomer of a (5Z,8Z,11S,12S,14Z)-11,12-dihydroxyicosatrienoic acid.
Molecule SMILES: COC1C(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C(C)OC(OC2CCC3(C)C(CCC4C3CCC3(C)C(C5=CC(=O)OC5)CCC43O)C2)C1OC(C)=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: [(2S,3S,4S,5S,6S)-2-[[(3S,5R,8S,9R,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-methoxy-6-methyl-5-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-[[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-3-yl] acetate is a natural product found in Cerbera manghas with data available.
Molecule SMILES: O=C(CCN1CCCCC1)NC1CCC(CCNS(=O)(=O)c2ccccc2)OC1CO

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: N-[(2R,3R,6S)-6-[2-(benzenesulfonamido)ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(1-piperidinyl)propanamide is a C-glycosyl compound.
Molecule SMILES: ON1CCC23C=CCCC2C1Cc1ccccc13

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,9R,10R)-17-hydroxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6,13-tetraene is a natural product found in Papaver somniferum with data available.
Molecule SMILES: COC1CC=C(C)CCC=C(C)CCC2C(C=C1C(=O)O)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: Could you provide a description of this molecule <molecule_2d> ?

assistant: (1R,2Z,4S,6E,10E,14R)-4-methoxy-7,11,15,15-tetramethylbicyclo[12.1.0]pentadeca-2,6,10-triene-3-carboxylic acid is a natural product found in Euphorbia pekinensis with data available.
Molecule SMILES: O=c1c(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)c(-c2ccc(OC3OC(CO)C(O)C(O)C3O)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: Tell me something about this molecule: <molecule_2d>

assistant: 5,7-dihydroxy-2-[4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one is a natural product found in Asplenium incisum with data available.
Molecule SMILES: COC(=O)C1=C(CC=C(C)C)C(OC2OC(CO)C(O)C(O)C2O)c2ccccc2C1OC1OC(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: Given the molecule <molecule_2d>, what can you tell me about it?

assistant: methyl (1S,4S)-3-(3-methylbut-2-enyl)-1,4-bis[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-1,4-dihydronaphthalene-2-carboxylate is a natural product found in Rubia yunnanensis with data available.
Molecule SMILES: O=C1OC2OC(CO)C(O)C(OC(=O)c3cc(O)c(O)c(O)c3)C2OC(=O)c2cc(O)c(O)c(O)c2Oc2c(O)cc(cc2O)C(=O)OC2OC3COC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)OC3C(OC(=O)c3cc(O)c(O)c(O)c3)C2OC(=O)c2cc(O)c(O)c(O)c2Oc2cc1cc(O)c2O

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: [4,5,6,13,21,22,26,27,28,40,41,42,45,46,47,60,61-Heptadecahydroxy-14-(hydroxymethyl)-9,18,31,37,50,57-hexaoxo-34-(3,4,5-trihydroxybenzoyl)oxy-2,10,15,17,24,32,36,51,54,56-decaoxadecacyclo[56.2.2.119,23.03,8.011,16.025,30.033,55.035,53.038,43.044,49]trihexaconta-1(60),3,5,7,19,21,23(63),25,27,29,38,40,42,44,46,48,58,61-octadecaen-12-yl] 3,4,5-trihydroxybenzoate is a natural product found in Reaumuria hirtella with data available.
Molecule SMILES: COc1cc(C2Oc3cc4ccc(=O)oc4cc3OC2CO)ccc1O

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-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-7H-pyrano[2,3-g][1,4]benzodioxin-7-one is a guaiacyl lignin obtained by formal cyclocodensation between guaiacylglycerol and esculetin. It is found in Arabidopsis thaliana. It has a role as a plant metabolite. It is a guaiacyl lignin, a primary alcohol, a member of coumarins, a member of guaiacols and a pyranobenzodioxin. It is functionally related to an esculetin and a guaiacylglycerol.
Molecule SMILES: COc1cc(C2Oc3cc4ccc(=O)oc4cc3OC2CO)ccc1O

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-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-7H-pyrano[2,3-g][1,4]benzodioxin-7-one is a natural product found in Arabidopsis thaliana with data available.
Molecule SMILES: O=c1cc(-c2ccc(O)c(O)c2)oc2cc(OC3OC(COC4OCC(O)C(O)C4O)C(O)C(O)C3O)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: <molecule_2d> The above is a compound. Could you please tell me something about it?

assistant: 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one is a natural product found in Gypsophila repens with data available.
Molecule SMILES: CC(CCC(O)C(C)C(=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)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C

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

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

assistant: (24R,25R)-3alpha,7alpha,24-trihydroxy-5beta-cholestan-26-oyl-CoA is a steroidal acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (24R,25R)-3alpha,7alpha,24-trihydroxy-5beta-cholestan-26-oic acid. It has a role as a human metabolite. It is a conjugate acid of a (24R,25R)-3alpha,7alpha,24-trihydroxy-5beta-cholestan-26-oyl-CoA(4-).
Molecule SMILES: O=P([O-])([O-])OCC(O)COP(=O)([O-])OCC(O)CO

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: Poly(glycerol phosphate) anion macromolecule is the polyanion macromolecule arising from global deprotonation of the phosphate groups of poly(glycerol phosphate). It is an organophosphate oxoanion and a homopolymer macromolecule. It is a conjugate base of a poly(glycerol phosphate) macromolecule.
Molecule SMILES: C=CCCC(O)c1ccc(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: Provide a brief overview of this molecule <molecule_2d> .

assistant: 5-(1-Hydroxy-pent-4-en-1-yl)-furan-2-carboxylic acid is a natural product found in Coriolopsis with data available.
Molecule SMILES: Cc1nc2cc(Cl)ccc2c(=O)n1Cc1ccncc1

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: 7-chloro-2-methyl-3-(4-pyridylmethyl)-3,4-dihydroquinazolin-4-one is a member of quinazolines.
Molecule SMILES: CCCCCC=CCC=CCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCCCCCC)COP(=O)([O-])OCC[N+](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: 1-(9Z)-hexadecenoyl-2-(13Z,16Z)-docosadienoyl-sn-glycero-3-phosphocholine is a phosphatidylcholine in which the acyl groups at C-1 and C-2 are (9Z)-hexadecenoyl and (13Z,16Z)-docosadienoyl respectively.
Molecule SMILES: CCCCCC=CCC=CCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCCCCCC)COP(=O)([O-])OCC[N+](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: PC(16:1(9Z)/22:2(13Z,16Z)) is a metabolite found in or produced by Saccharomyces cerevisiae.
Molecule SMILES: CCCCCC=CCC=CCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCCCCCC)COP(=O)([O-])OCC[N+](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: Could you provide a description of this molecule <molecule_2d> ?

assistant: PC(16:1(9Z)/22:2(13Z,16Z)) is a natural product found in Lysiphlebia japonica and Aphis gossypii with data available.
Molecule SMILES: C=C1CC(O)C(Br)C(C)(C)C12CC=C(C)CC2OC(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 provide a description of this molecule <molecule_2d> ?

assistant: [(3S,4R,6S,11R)-4-bromo-3-hydroxy-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-8-en-11-yl] acetate is a natural product found in Laurencia obtusa and Laurencia dendroidea with data available.
Molecule SMILES: CCCNC(=O)Nc1ccc2c(c1)OCC(C)N(C(=O)C1CCOCC1)CC(C)C(OC)CN(C)C2=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: 1-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-8-[4-oxanyl(oxo)methyl]-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea is a lactam and an azamacrocycle.
Molecule SMILES: C=CC(C(O)C(C)(C)O)C(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: Provide a brief overview of this molecule <molecule_2d> .

assistant: (3R,4S)-4-ethenyl-2,5-dimethylhexane-2,3,5-triol is a natural product found in Achillea fragrantissima with data available.
Molecule SMILES: CNCC1OCCCCC(C)Oc2ccc(NS(=O)(=O)c3ccc(C)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: <molecule_2d> What do you know about the molecule?

assistant: N-[(3S,9S,10S)-12-[(2S)-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]-4-methylbenzenesulfonamide is a lactam and an azamacrocycle.
Molecule SMILES: COc1cc(C(=O)C(=O)N2CCCCC2C(=O)OC(CCCc2cccnc2)CCCc2cccnc2)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: <molecule_2d> What do you know about the molecule?

assistant: Biricodar is an alpha-amino acid ester.
Molecule SMILES: COc1cc(C(=O)C(=O)N2CCCCC2C(=O)OC(CCCc2cccnc2)CCCc2cccnc2)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: Provide a brief overview of this molecule <molecule_2d> .

assistant: The pipecolinate derivative biricodar (VX-710) is a clinically applicable modulator of P-glycoprotein (Pgp) and multidrug resistance protein (MRP-1).
Molecule SMILES: COc1cc(C(=O)C(=O)N2CCCCC2C(=O)OC(CCCc2cccnc2)CCCc2cccnc2)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: <molecule_2d> The above is a compound. Could you please tell me something about it?

assistant: Biricodar is a pipecolinate derivative.  Functioning as a modulator of P-glycoprotein (P-gp) and multidrug resistance protein (MRP-1), biricodar restores drug sensitivity to cells expressing P-glycoprotein and MRP1, the cellular efflux pumps that are the major causes in tumor cell resistance to chemotherapeutic agents.  This agent binds directly to Pgp and MRP-1 and inhibits efflux pump activity, resulting in increased intracellular accumulation and retention of cytotoxic agents.
Molecule SMILES: C=CC1C2CCC3(O)C(C)(CCC(O)C3(C)C(=O)O)C2CCC1(O)CCl

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: Talascortene A is a natural product found in Talaromyces scorteus with data available.
Molecule SMILES: CC(=O)OCC1(C)C(OC(C)=O)CCC2(C)C1CCC1(C)C2CC=C2C3CC(C)(C)C(OC(C)=O)C(OC(C)=O)C3(COC(C)=O)C(O)CC21C

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: [(3S,4S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-3,9,10-triacetyloxy-8a-(acetyloxymethyl)-8-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-4-yl]methyl acetate is a natural product found in Napoleonaea imperialis with data available.
Molecule SMILES: COc1ccc2ccc(=O)oc2c1CC(OC(=O)CC(C)C)C(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: [(2S)-3-hydroxy-1-(7-methoxy-2-oxochromen-8-yl)-3-methylbutan-2-yl] 3-methylbutanoate is a natural product found in Murraya exotica and Murraya paniculata with data available.
Molecule SMILES: CC=C1NC(=O)C(O)C(CCC(C)C)NC(=O)C(CC(N)=O)NC(=O)C(Cc2ccccc2O)NC(=O)C2CC(C)CN2C(=O)C(C(C)OC)NC(=O)C(C2OC(=O)NC2=O)NC(=O)CN(C)C1=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-[6-(2,4-Dioxo-1,3-oxazolidin-5-yl)-12-ethylidene-15-hydroxy-22-[(2-hydroxyphenyl)methyl]-3-(1-methoxyethyl)-10,27-dimethyl-16-(3-methylbutyl)-2,5,8,11,14,18,21,24-octaoxo-1,4,7,10,13,17,20,23-octazabicyclo[23.3.0]octacosan-19-yl]acetamide is a natural product found in Theonella swinhoei with data available.
Molecule SMILES: O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)OC3(CO)OCC(O)C(O)C3O)C(O)C2O)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: Could you provide a description of this molecule <molecule_2d> ?

assistant: [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2S,3S,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)oxan-2-yl] hydrogen phosphate is a natural product found in Helianthus tuberosus with data available.
Molecule SMILES: Oc1cc(O)c(Oc2cc(O)c(O)c(Oc3cc(O)c(O)c(O)c3Oc3cc(O)c(O)c(Oc4cc(O)c(O)c(O)c4Oc4cc(O)c(O)c(O)c4)c3)c2)c(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: 5-[5-[6-[2,3-Dihydroxy-5-(2,4,6-trihydroxyphenoxy)phenoxy]-2,3,4-trihydroxyphenoxy]-2,3-dihydroxyphenoxy]-4-(3,4,5-trihydroxyphenoxy)benzene-1,2,3-triol is a natural product found in Carpophyllum angustifolium with data available.
Molecule SMILES: O=c1oc2c(O)c(O)ccc2c2oc3cc(O)ccc3c12

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

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

assistant: 3,4,9-Trihydroxy-[1]benzofuro[3,2-c]chromen-6-one is a natural product found in Erythrina sigmoidea with data available.
Molecule SMILES: CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(OC7OC(CO)C(O)C7O)C(O)C6O)C(C)(C)C5CCC43C)C2C1

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: Narcissiflorine is a natural product found in Anemone multifida, Anemone narcissiflora, and other organisms with data available.
Molecule SMILES: CCC(C(=O)O)c1ccc(-c2ccccc2)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: Xenbucin is a member of biphenyls.
Molecule SMILES: Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1CCC(O)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: Please give me some details about this molecule <molecule_2d> .

assistant: 3-Hydroxytanshinone is a natural product found in Salvia miltiorrhiza with data available.
Molecule SMILES: COc1c(-c2ccc(O)c(O)c2)oc2cc(O)c(CC=C(C)CCC=C(C)C)c(O)c2c1=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-(3,4-Dihydroxyphenyl)-6-(3,7-dimethylocta-2,6-dienyl)-5,7-dihydroxy-3-methoxychromen-4-one is a natural product found in Broussonetia papyrifera with data available.
Molecule SMILES: COC(C(=O)N(C)CC1OCc2ccccc2-c2ccccc2C(=O)N(C(C)CO)CC1C)c1ccccc1

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

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

assistant: LSM-13517 is a member of acetamides.
Molecule SMILES: O=C1C=C2C(=CCOC2O)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: Patulin is a furopyran and lactone that is (2H-pyran-3(6H)-ylidene)acetic acid which is substituted by hydroxy groups at positions 2 and 4 and in which the hydroxy group at position 4 has condensed with the carboxy group to give the corresponding bicyclic lactone. A mycotoxin produced by several species of Aspergillus and Penicillium, it has antibiotic properties but has been shown to be carcinogenic and mutagenic. It has a role as an antimicrobial agent, a mycotoxin, a carcinogenic agent, a mutagen, a Penicillium metabolite and an Aspergillus metabolite. It is a furopyran, a lactol and a gamma-lactone.
Molecule SMILES: O=C1C=C2C(=CCOC2O)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> What do you know about the molecule?

assistant: Patulin is a natural product found in Alternaria tenuissima, Talaromyces diversus, and other organisms with data available.
Molecule SMILES: O=C1C=C2C(=CCOC2O)O1

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: Patulin is found in pomes. Mycotoxin, found as a contaminant of foods, e.g. apple juice. Sometimes detd. in apple juice Patulin is a mycotoxin produced by a variety of molds, particularly Aspergillus and Penicillium. It is commonly found in rotting apples, and the amount of patulin in apple products is generally viewed as a measure of the quality of the apples used in production. It is not a particularly potent toxin, but a number of studies have shown that it is genotoxic, which has led to some theories that it may be a carcinogen, though animal studies have remained inconclusive. Patulin is also an antibiotic. Several countries have instituted patulin restrictions in apple products. The World Health Organization recommends a maximum concentration of 50 ug/L in apple juice.

Patulin has been shown to exhibit apoptotic and antibiotic functions (A7849, A7850).

Patulin belongs to the family of Pyrans. These are compounds containing a pyran ring, which is a six-member heterocyclic, non-aromatic ring with five carbon atoms, one oxygen atom and two ring double bonds.
Molecule SMILES: O=C(C=Cc1ccc(O)cc1)NCCCCNCCCNC(=O)C=Cc1ccc(O)cc1

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

user: <molecule_2d> What do you know about the molecule?

assistant: N(1),N(8)-bis(coumaroyl)spermidine is a secondary amino compound that is spermidine in which each of the primary amino groups has been mono-acylated by formal condensation with trans-coumaric acid. It has a role as a plant metabolite. It is an enamide, a polyphenol, a secondary amino compound and a secondary carboxamide. It is functionally related to a spermidine and a trans-4-coumaric acid. It is a conjugate base of a N(1),N(8)-bis(coumaroyl)spermidine(1+).
Molecule SMILES: O=C(C=Cc1ccc(O)cc1)NCCCCNCCCNC(=O)C=Cc1ccc(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: N1,N10-Bis(p-coumaroyl)spermidine is a natural product found in Aphelandra tetragona with data available.
Molecule SMILES: OC1C=CC2(Oc3cccc4cccc(c34)O2)C2C(O)C(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: Tell me something about this molecule: <molecule_2d>

assistant: (1S,2S,4S,4aS,5R,8aS)-spiro[2,3,4,4a,5,8a-hexahydro-1H-naphthalene-8,3'-2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene]-1,2,4,5-tetrol is a natural product found in Drepanospora viridis with data available.
Molecule SMILES: CC(=O)NC1C(O)OC(COC2OC(C)C(O)C(O)C2O)C(OC2OC(CO)C(OC3OC(COC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)C(O)C(OC4OC(CO)C(O)C(O)C4O)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: Provide a brief overview of this molecule <molecule_2d> .

assistant: N-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-[[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]acetamide is a member of carbohydrates and carbohydrate derivatives.