guojianz/MolReasoner huggingface dataset:
You are a professional chemist. Your task is to generate a natural, concise, and chemically accurate description of a given molecule.

Please provide a step-by-step analysis explaining how you interpret the molecular structure, identify key features and functional groups, and summarize it into a clear and informative description.

Think step by step, and your final answer **must** be returned in the format: <answer> ... </answer>. For example:
<answer>The molecule is an epoxy(hydroxy)icosatrienoate that is the conjugate base of 11-hydroxy-(14R,15S)-epoxy-(5Z,8Z,12E)-icosatrienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of an 11-hydroxy-(14R,15S)-epoxy-(5Z,8Z,12E)-icosatrienoic acid.</answer>

[C][C@@H1][O][C@@H1][Branch2][Ring1][#Branch2][O][C@@H1][C@@H1][Branch1][C][O][C@H1][Branch1][C][C][O][C@@H1][Branch1][Branch2][O][C][C][C][C][C][N][C@@H1][Ring1][#C][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring1][=Branch2][O]

The molecule is a disaccharide derivative consisting of two alpha-L-rhamnosyl residues linked (1->3) and at the reducing end linked glycosidically to a 5-aminopentyl group. It is a disaccharide derivative and a glycoside.

SMILES: CC1OC(OC2C(O)C(C)OC(OCCCCCN)C2O)C(O)C(O)C1O
You are a professional chemist. Your task is to generate a natural, concise, and chemically accurate description of a given molecule.

Please provide a step-by-step analysis explaining how you interpret the molecular structure, identify key features and functional groups, and summarize it into a clear and informative description.

Think step by step, and your final answer **must** be returned in the format: <answer> ... </answer>. For example:
<answer>The molecule is an epoxy(hydroxy)icosatrienoate that is the conjugate base of 11-hydroxy-(14R,15S)-epoxy-(5Z,8Z,12E)-icosatrienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of an 11-hydroxy-(14R,15S)-epoxy-(5Z,8Z,12E)-icosatrienoic acid.</answer>

[Cl][C][C][S][C][C][Cl]

The molecule is an ethyl sulfide that is diethyl sulfide in which a hydrogen from each of the terminal methyl groups is replaced by a chlorine. It is a powerful vesicant regulated under the Chemical Weapons Convention. It has a role as an alkylating agent, a vesicant and a carcinogenic agent. It is an organochlorine compound and an ethyl sulfide.

SMILES: ClCCSCCCl
You are a professional chemist. Your task is to generate a natural, concise, and chemically accurate description of a given molecule.

Please provide a step-by-step analysis explaining how you interpret the molecular structure, identify key features and functional groups, and summarize it into a clear and informative description.

Think step by step, and your final answer **must** be returned in the format: <answer> ... </answer>. For example:
<answer>The molecule is an epoxy(hydroxy)icosatrienoate that is the conjugate base of 11-hydroxy-(14R,15S)-epoxy-(5Z,8Z,12E)-icosatrienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of an 11-hydroxy-(14R,15S)-epoxy-(5Z,8Z,12E)-icosatrienoic acid.</answer>

[N][C][C][C][C][=Branch1][C][=O][O-1]

The molecule is an gamma-amino acid anion resulting from the deprotonation of the carboxy group of gamma-aminobutyric acid. It has a role as a human metabolite. It derives from a butyrate. It is a conjugate base of a gamma-aminobutyric acid.

SMILES: NCCCC(=O)[O-]
You are a professional chemist. Your task is to generate a natural, concise, and chemically accurate description of a given molecule.

Please provide a step-by-step analysis explaining how you interpret the molecular structure, identify key features and functional groups, and summarize it into a clear and informative description.

Think step by step, and your final answer **must** be returned in the format: <answer> ... </answer>. For example:
<answer>The molecule is an epoxy(hydroxy)icosatrienoate that is the conjugate base of 11-hydroxy-(14R,15S)-epoxy-(5Z,8Z,12E)-icosatrienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of an 11-hydroxy-(14R,15S)-epoxy-(5Z,8Z,12E)-icosatrienoic acid.</answer>

[C-1][#N+1][C@@H1][C@@H1][C][=C][NH1][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][=Branch2][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C@H1][Ring1][=C][C][C@@H1][Branch1][C][Cl][C@][Ring2][Ring1][Ring1][Branch1][C][C][C][=C]

The molecule is a hapalindole that is hapalindole U in which the pro-R hydrogen at position 8 has been replaced by a chlorine. It is produced by the cyanobacterium Fischerella ambigua. It is an isocyanide, an organic heterotetracyclic compound, an organochlorine compound and a hapalindole.

SMILES: [C-]#[N+]C1C2c3c[nH]c4cccc(c34)C(C)(C)C2CC(Cl)C1(C)C=C
You are a professional chemist. Your task is to generate a natural, concise, and chemically accurate description of a given molecule.

Please provide a step-by-step analysis explaining how you interpret the molecular structure, identify key features and functional groups, and summarize it into a clear and informative description.

Think step by step, and your final answer **must** be returned in the format: <answer> ... </answer>. For example:
<answer>The molecule is an epoxy(hydroxy)icosatrienoate that is the conjugate base of 11-hydroxy-(14R,15S)-epoxy-(5Z,8Z,12E)-icosatrienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of an 11-hydroxy-(14R,15S)-epoxy-(5Z,8Z,12E)-icosatrienoic acid.</answer>

[C][C][=C][Branch2][Ring2][=Branch2][/C][=C][/C][Branch1][C][C][=C][/C][=C][/C][Branch1][C][C][=C][/C][=C][/C][=C][Branch1][C][C][/C][=C][/C][=C][Branch1][C][C][/C][=C][/C][=C][Branch1][C][\C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring2][Ring2][Ring2]

The molecule is a monocarboxylic acid that results from the oxidation of the aldehyde group of 4'-apo-beta-carotenal to the corresponding carboxylic acid. It is an apo carotenoid C35 terpenoid and a monocarboxylic acid. It is a conjugate acid of a neurosporaxanthin(1-).

SMILES: CC(C=CC=C(C)C=CC=C(C)C(=O)O)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C
You are a professional chemist. Your task is to generate a natural, concise, and chemically accurate description of a given molecule.

Please provide a step-by-step analysis explaining how you interpret the molecular structure, identify key features and functional groups, and summarize it into a clear and informative description.

Think step by step, and your final answer **must** be returned in the format: <answer> ... </answer>. For example:
<answer>The molecule is an epoxy(hydroxy)icosatrienoate that is the conjugate base of 11-hydroxy-(14R,15S)-epoxy-(5Z,8Z,12E)-icosatrienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of an 11-hydroxy-(14R,15S)-epoxy-(5Z,8Z,12E)-icosatrienoic acid.</answer>

[C][C@H1][Branch1][C][O][C@H1][O][C][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring1][=Branch2][O]

The molecule is a deoxyheptose that is L-glycero-D-manno-heptopyranose in which the 7-hydroxy group is substituted by hydrogen. It derives from a D-mannopyranose.

SMILES: CC(O)C1OC(O)C(O)C(O)C1O
You are a professional chemist. Your task is to generate a natural, concise, and chemically accurate description of a given molecule.

Please provide a step-by-step analysis explaining how you interpret the molecular structure, identify key features and functional groups, and summarize it into a clear and informative description.

Think step by step, and your final answer **must** be returned in the format: <answer> ... </answer>. For example:
<answer>The molecule is an epoxy(hydroxy)icosatrienoate that is the conjugate base of 11-hydroxy-(14R,15S)-epoxy-(5Z,8Z,12E)-icosatrienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of an 11-hydroxy-(14R,15S)-epoxy-(5Z,8Z,12E)-icosatrienoic acid.</answer>

[C][C][=Branch1][C][=O][N][C@@H1][C@@H1][Branch2][#Branch1][Branch2][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch2][Branch1][=C][O][C@@H1][O][C@H1][Branch2][Ring2][#Branch2][C][O][C@][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C@H1][Branch1][C][O][C@@H1][Branch1][#Branch1][N][C][Branch1][C][C][=O][C@H1][Branch1][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C][O][O][Ring2][Ring1][Ring2][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring1][=C][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring2][=Branch2][N][C][Branch1][C][C][=O][C@@H1][Branch1][C][O][C@@H1][Branch1][Ring1][C][O][O][C@H1][Ring2][Branch1][#Branch1][O]

The molecule is a linear amino tetrasaccharide comprising alpha-sialyl, beta-D-galactosyl, N-acetyl-beta-D-glucosaminyl and N-acetyl-beta-D-galactosamine residues in a (2->6), (1->4) and (1->3) sequence. alpha-Neup5Ac-(2->6)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-D-GalpNAc in which the anomeric configuration of the GalNAc residue at the reducing end is beta. It has a role as an epitope. It is an amino tetrasaccharide, a glucosamine oligosaccharide, a galactosamine oligosaccharide and an alpha-Neup5Ac-(2->6)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-D-GalpNAc.

SMILES: CC(=O)NC1C(OC2C(O)C(CO)OC(O)C2NC(C)=O)OC(CO)C(OC2OC(COC3(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O3)C(O)C(O)C2O)C1O
You are a professional chemist. Your task is to generate a natural, concise, and chemically accurate description of a given molecule.

Please provide a step-by-step analysis explaining how you interpret the molecular structure, identify key features and functional groups, and summarize it into a clear and informative description.

Think step by step, and your final answer **must** be returned in the format: <answer> ... </answer>. For example:
<answer>The molecule is an epoxy(hydroxy)icosatrienoate that is the conjugate base of 11-hydroxy-(14R,15S)-epoxy-(5Z,8Z,12E)-icosatrienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of an 11-hydroxy-(14R,15S)-epoxy-(5Z,8Z,12E)-icosatrienoic acid.</answer>

[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C][C][O][P][=Branch1][C][=O][Branch1][C][O][O][C][C@H1][Branch1][C][O][C][O][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C]

The molecule is an N-acyllysophosphatidylethanolamine in which both the N- and O-acyl group are specified as palmitoyl (hexadecanoyl). It derives from a hexadecanoic acid. It is a conjugate acid of a N,1-dipalmitoyl-sn-glycero-3-phosphoethanolamine(1-).

SMILES: CCCCCCCCCCCCCCCC(=O)NCCOP(=O)(O)OCC(O)COC(=O)CCCCCCCCCCCCCCC
You are a professional chemist. Your task is to generate a natural, concise, and chemically accurate description of a given molecule.

Please provide a step-by-step analysis explaining how you interpret the molecular structure, identify key features and functional groups, and summarize it into a clear and informative description.

Think step by step, and your final answer **must** be returned in the format: <answer> ... </answer>. For example:
<answer>The molecule is an epoxy(hydroxy)icosatrienoate that is the conjugate base of 11-hydroxy-(14R,15S)-epoxy-(5Z,8Z,12E)-icosatrienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of an 11-hydroxy-(14R,15S)-epoxy-(5Z,8Z,12E)-icosatrienoic acid.</answer>

[O][=C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][F]

The molecule is a fluoroalkanoic acid that is perfluorinated decanoic acid. It has a role as a xenobiotic and an environmental contaminant. It derives from a decanoic acid.

SMILES: O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
You are a professional chemist. Your task is to generate a natural, concise, and chemically accurate description of a given molecule.

Please provide a step-by-step analysis explaining how you interpret the molecular structure, identify key features and functional groups, and summarize it into a clear and informative description.

Think step by step, and your final answer **must** be returned in the format: <answer> ... </answer>. For example:
<answer>The molecule is an epoxy(hydroxy)icosatrienoate that is the conjugate base of 11-hydroxy-(14R,15S)-epoxy-(5Z,8Z,12E)-icosatrienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of an 11-hydroxy-(14R,15S)-epoxy-(5Z,8Z,12E)-icosatrienoic acid.</answer>

[C][C][Branch1][C][O][C][C][C][/C][=C][\C][/C][=C][\C][C][C][C][C][C][C][C][=Branch1][C][=O][O-1]

The molecule is an (omega-1)-hydroxy-long-chain fatty acid anion that is the conjugate base of (9Z,12Z)-17-hydroxyoctadeca-9,12-dienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a polyunsaturated fatty acid anion and an (omega-1)-hydroxy-long-chain fatty acid anion. It is a conjugate base of a (9Z,12Z)-17-hydroxyoctadeca-9,12-dienoic acid.

SMILES: CC(O)CCCC=CCC=CCCCCCCCC(=O)[O-]
You are a professional chemist. Your task is to generate a natural, concise, and chemically accurate description of a given molecule.

Please provide a step-by-step analysis explaining how you interpret the molecular structure, identify key features and functional groups, and summarize it into a clear and informative description.

Think step by step, and your final answer **must** be returned in the format: <answer> ... </answer>. For example:
<answer>The molecule is an epoxy(hydroxy)icosatrienoate that is the conjugate base of 11-hydroxy-(14R,15S)-epoxy-(5Z,8Z,12E)-icosatrienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of an 11-hydroxy-(14R,15S)-epoxy-(5Z,8Z,12E)-icosatrienoic acid.</answer>

[N][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O-1]

The molecule is an optically active form of tyrosinate(1-) having D-configuration. It has a role as an Escherichia coli metabolite. It is a conjugate base of a D-tyrosine. It is a conjugate acid of a D-tyrosinate(2-). It is an enantiomer of a L-tyrosinate(1-).

SMILES: NC(Cc1ccc(O)cc1)C(=O)[O-]
You are a professional chemist. Your task is to generate a natural, concise, and chemically accurate description of a given molecule.

Please provide a step-by-step analysis explaining how you interpret the molecular structure, identify key features and functional groups, and summarize it into a clear and informative description.

Think step by step, and your final answer **must** be returned in the format: <answer> ... </answer>. For example:
<answer>The molecule is an epoxy(hydroxy)icosatrienoate that is the conjugate base of 11-hydroxy-(14R,15S)-epoxy-(5Z,8Z,12E)-icosatrienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of an 11-hydroxy-(14R,15S)-epoxy-(5Z,8Z,12E)-icosatrienoic acid.</answer>

[C][C@@H1][C][N][Branch1][#C][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch1][C][C][C][N][Ring1][P][C]

The molecule is an enamide obtained by formal condensation of the carboxy group of trans-cinnamic acid with the secondary amino group of (2R,5R)-1,2,5-trimethylpiperazine. It has a role as an Aspergillus metabolite. It is a N-acylpiperazine, a N-alkylpiperazine, an alkaloid, an enamide and a tertiary carboxamide. It derives from a trans-cinnamic acid.

SMILES: CC1CN(C(=O)C=Cc2ccccc2)C(C)CN1C
You are a professional chemist. Your task is to generate a natural, concise, and chemically accurate description of a given molecule.

Please provide a step-by-step analysis explaining how you interpret the molecular structure, identify key features and functional groups, and summarize it into a clear and informative description.

Think step by step, and your final answer **must** be returned in the format: <answer> ... </answer>. For example:
<answer>The molecule is an epoxy(hydroxy)icosatrienoate that is the conjugate base of 11-hydroxy-(14R,15S)-epoxy-(5Z,8Z,12E)-icosatrienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of an 11-hydroxy-(14R,15S)-epoxy-(5Z,8Z,12E)-icosatrienoic acid.</answer>

[C][C][C][C][C][C][C][C][/C][=C][\C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][=Branch1][C][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C@H1][Branch1][C][O][/C][=C][/C][C][C][C][C][C][C][C][C][C][C][C][C]

The molecule is a N-acyl-beta-D-galactosylsphingosine in which the acyl group specified is (17Z)-hexacosenoyl. It has a role as a mouse metabolite. It derives from a (17Z)-hexacosenoic acid.

SMILES: CCCCCCCCC=CCCCCCCCCCCCCCCCC(=O)NC(COC1OC(CO)C(O)C(O)C1O)C(O)C=CCCCCCCCCCCCCC
You are a professional chemist. Your task is to generate a natural, concise, and chemically accurate description of a given molecule.

Please provide a step-by-step analysis explaining how you interpret the molecular structure, identify key features and functional groups, and summarize it into a clear and informative description.

Think step by step, and your final answer **must** be returned in the format: <answer> ... </answer>. For example:
<answer>The molecule is an epoxy(hydroxy)icosatrienoate that is the conjugate base of 11-hydroxy-(14R,15S)-epoxy-(5Z,8Z,12E)-icosatrienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of an 11-hydroxy-(14R,15S)-epoxy-(5Z,8Z,12E)-icosatrienoic acid.</answer>

[C][C][Branch1][C][C][C][C][=C][C][=C][Branch1][C][O][C][=Branch1][C][=O][C][=Ring1][=Branch2]

The molecule is a monoterpenoid that is cyclohepta-2,4,6-trien-1-one substituted by a hydroxy group at position 2 and an isopropyl group at position 4. Isolated from Thuja plicata and Chamaecyparis obtusa, it exhibits antimicrobial activities. It has a role as an antifungal agent, an antibacterial agent, an antiplasmodial drug, an antineoplastic agent and a plant metabolite. It is an enol, a cyclic ketone and a monoterpenoid. It derives from a hydride of a cyclohepta-1,3,5-triene.

SMILES: CC(C)c1cccc(O)c(=O)c1
You are a professional chemist. Your task is to generate a natural, concise, and chemically accurate description of a given molecule.

Please provide a step-by-step analysis explaining how you interpret the molecular structure, identify key features and functional groups, and summarize it into a clear and informative description.

Think step by step, and your final answer **must** be returned in the format: <answer> ... </answer>. For example:
<answer>The molecule is an epoxy(hydroxy)icosatrienoate that is the conjugate base of 11-hydroxy-(14R,15S)-epoxy-(5Z,8Z,12E)-icosatrienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of an 11-hydroxy-(14R,15S)-epoxy-(5Z,8Z,12E)-icosatrienoic acid.</answer>

[C][C][C][C][C][C][=Branch1][C][=O][/C][=C][/C][=C][\C][=C][\C][=C][\C@@H1][Branch1][C][O][C@@H1][Branch1][C][O][C][C][C][C][=Branch1][C][=O][O]

The molecule is a C20 hydroxy fatty acid having (5S)- and (6R)- -hydroxy groups as well as a 15-oxo group and (7E)- (9E)-, (11Z)- and (13E)-double bonds. It is a lipoxin, an oxo fatty acid, a long-chain fatty acid and a hydroxy polyunsaturated fatty acid. It is a conjugate acid of a 15-oxolipoxin A4(1-).

SMILES: CCCCCC(=O)C=CC=CC=CC=CC(O)C(O)CCCC(=O)O
You are a professional chemist. Your task is to generate a natural, concise, and chemically accurate description of a given molecule.

Please provide a step-by-step analysis explaining how you interpret the molecular structure, identify key features and functional groups, and summarize it into a clear and informative description.

Think step by step, and your final answer **must** be returned in the format: <answer> ... </answer>. For example:
<answer>The molecule is an epoxy(hydroxy)icosatrienoate that is the conjugate base of 11-hydroxy-(14R,15S)-epoxy-(5Z,8Z,12E)-icosatrienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of an 11-hydroxy-(14R,15S)-epoxy-(5Z,8Z,12E)-icosatrienoic acid.</answer>

[C][C][=C][C][Branch2][Ring2][=Branch1][N][C][=N][C][=C][Branch1][C][Cl][C][Branch2][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][C][C][=N][Ring2][Ring1][Ring2][=C][Branch1][#Branch1][O][C][Branch1][C][C][C][C][=C][Ring2][Ring1][#C][C][C][C][N][C][C][Ring1][=Branch1]

The molecule is a member of the class of aminopyrimidines that is 2,6-diamino-5-chloropyrimidine in which the amino groups at positions 2 and 6 are respectively carrying 2-methoxy-4-(piperidin-4-yl)-5-methylphenyl and 2-(isopropylsulfonyl)phenyl substituents. Used for the treatment of ALK-positive metastatic non-small cell lung cancer. It has a role as an antineoplastic agent and an EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor. It is an aminopyrimidine, an aromatic ether, an organochlorine compound, a secondary amino compound, a member of piperidines and a sulfone.

SMILES: Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCNCC1
You are a professional chemist. Your task is to generate a natural, concise, and chemically accurate description of a given molecule.

Please provide a step-by-step analysis explaining how you interpret the molecular structure, identify key features and functional groups, and summarize it into a clear and informative description.

Think step by step, and your final answer **must** be returned in the format: <answer> ... </answer>. For example:
<answer>The molecule is an epoxy(hydroxy)icosatrienoate that is the conjugate base of 11-hydroxy-(14R,15S)-epoxy-(5Z,8Z,12E)-icosatrienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of an 11-hydroxy-(14R,15S)-epoxy-(5Z,8Z,12E)-icosatrienoic acid.</answer>

[C][O][C][=C][C][Branch1][C][C][=C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][Branch1][C][Cl][=C][Branch1][Ring1][O][C][C][Branch1][C][Cl][=C][Ring1][O][O][C][Ring1][S][=C][Ring2][Ring1][Branch1]

The molecule is a member of the class of xanthones that is 9H-xanthen-9-one substituted by a hydroxy group at positions 1, chloro groups at positions 2 and 4, methoxy groups at positions 3 and 6 and a methyl group at position 8. It has a role as a fungal metabolite. It is a member of xanthones, a polyphenol, an aromatic ether and an organochlorine compound.

SMILES: COc1cc(C)c2c(=O)c3c(O)c(Cl)c(OC)c(Cl)c3oc2c1