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

The molecule is a triterpenoid saponin that is the carboxylic ester obtained by the formal condensation of the carboxy group of arjunolic acid with beta-D-glucopyranose. It has been isolated from Juglans sinensis. It has a role as a plant metabolite. It is a pentacyclic triterpenoid, a carboxylic ester, a beta-D-glucoside, a monosaccharide derivative and a triterpenoid saponin. It derives from an arjunolic acid. It derives from a hydride of an oleanane.

SMILES: CC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1
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][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][O]

The molecule is a tripeptide composed of glycine, glycine and L-alanine residues joined in sequence. It has a role as a metabolite.

SMILES: CC(NC(=O)CNC(=O)CN)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][S][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][Ring1][O][N]

The molecule is a member of the class of 1,2,4-triazines that is 1,2,4-triazin-5(4H)-one substituted by an amino group at position 4, tert-butyl group at position 6 and a methylsulfanyl group at position 3. It has a role as a xenobiotic, an environmental contaminant, a herbicide and an agrochemical. It is a member of 1,2,4-triazines, an organic sulfide and a cyclic ketone.

SMILES: CSc1nnc(C(C)(C)C)c(=O)n1N
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][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O]

The molecule is a quinolone that is 4-quinolone substituted at position 3 by a formyl group. It is a quinolone and an aldehyde.

SMILES: O=Cc1c[nH]c2ccccc2c1=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][P][Branch1][C][O][O]

The molecule is a derivative of phosphorous acid in which one of the acidic hydroxy groups has been replaced by amino.

SMILES: NP(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][=Branch1][C][=O][N][C@@H1][C@@H1][Branch2][Branch2][=N][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@H1][Branch1][C][O][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][Ring2][Branch1][#Branch1][O][C@H1][Branch1][C][O][C@@H1][Branch1][Ring1][C][O][O][C@H1][Ring2][=Branch1][C][O]

The molecule is a linear amino pentasaccharide comprising alpha-sialyl, beta-D-galactosyl, N-acetyl-beta-D-glucosaminyl, beta-D-galactosyl and N-acetyl-beta-D-glucosamine residues in a (2->6), (1->4), (1->3) and (1->3) sequence. It has a role as an epitope. It is an amino pentasaccharide and a glucosamine oligosaccharide.

SMILES: CC(=O)NC1C(OC2C(O)C(CO)OC(OC3C(O)C(CO)OC(O)C3NC(C)=O)C2O)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][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][Branch1][C][O][P][=Branch1][C][=O][Branch1][C][O-1][O][C][C][N+1][Branch1][C][C][Branch1][C][C][C][C@H1][Branch1][C][O][/C][=C][/C][C][C][C][C][C][C][C][C][C][Branch1][C][C][C]

The molecule is an N-acyl-15-methylhexadecasphing-4-enine-1-phosphocholine in which the acyl group has 28 carbons and 0 double bonds. It derives from a 15-methylhexadecasphing-4-enine.

SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C=CCCCCCCCCCC(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][C][C][/C][=C][\C][/C][=C][\C][/C][=C][\C][/C][=C][\C][C][C][C][=Branch1][C][=O][O][C@H1][Branch2][Ring1][Branch2][C][O][C][=Branch1][C][=O][C][C][C][C][C][C][C][/C][=C][\C][C][C][C][C][C][C][C][C][O][P][=Branch1][C][=O][Branch1][C][O][O][C][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O]

The molecule is 1-acyl-2-arachidonoyl-sn-glycero-3-phospho-D-myo-inositol in which the 1-acyl group is specified as oleoyl. It has a role as a human metabolite. It derives from an oleic acid and an arachidonic acid. It is a conjugate acid of a 1-oleoyl-2-arachidonoyl-sn-glycero-3-phospho-1D-myo-inositol(1-).

SMILES: CCCCCC=CCC=CCC=CCC=CCCCC(=O)OC(COC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)(O)OC1C(O)C(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][#Branch1][C][C][=Branch1][C][=O][O-1][/C][=C][/C][N-1][C][=Branch2][Ring1][Ring2][=C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O-1][C][=Ring1][#Branch2][C][C][=Branch1][C][=O][O-1][C][C][=C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O-1][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O-1][C][=Branch1][Ring2][=N][Ring1][=C][/C][=C][\N-1][/C][=Branch2][Ring1][Ring2][=C][\C][=Branch1][Branch1][=N][Ring2][Ring2][=Branch1][C@H1][Ring2][Ring2][N][C][C][C][=Branch1][C][=O][O-1][C@@][Branch1][C][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O-1][C@@H1][Ring2][Ring1][Ring1][C][C][C][=Branch1][C][=O][O-1].[Co]

The molecule is a precorrin carboxylic acid anion obtained by deprotonation of the carboxy groups of cobalt-precorrin-2; major species at pH 7.3. It is a conjugate base of a cobalt-precorrin-2.

SMILES: CC1(CC(=O)[O-])C2=Cc3[n-]c(c(CCC(=O)[O-])c3CC(=O)[O-])CC3=C(CCC(=O)[O-])C(CC(=O)[O-])C(=N3)C=C3[N-]C(=CC(=N2)C1CCC(=O)[O-])C(C)(CC(=O)[O-])C3CCC(=O)[O-].[Co]
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>

[Br].[Br].[N][C][=Branch1][=C][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][C][C][C][C][=C][N][=C][NH1][Ring1][Branch1]

The molecule is a hydrobromide salt obtained by reaction of clobenpropit with two equivalents of hydrobromic acid. An extremely potent histamine H3 antagonist/inverse agonist (pA2 = 9.93). Also displays partial agonist activity at H4 receptors; induces eosinophil shape change with an EC50 of 3 nM. It has a role as a H4-receptor agonist and a H3-receptor antagonist. It contains a clobenpropit(2+).

SMILES: Br.Br.NC(=NCc1ccc(Cl)cc1)SCCCc1cnc[nH]1
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][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][S][Ring1][#Branch2]

The molecule is a member of the class of 2,2'-bithiophenes that is 2,2'-bithiophene substituted by a 3-buten-1-ynyl group at position 5. It has a role as a plant metabolite. It is a member of 2,2'-bithiophenes and an enyne.

SMILES: C=CC#Cc1ccc(-c2cccs2)s1
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][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][O]

The molecule is a benzoate ester resulting from the formal condensation of the carboxy group of 2,5-dihydroxybenzoic acid with the hydroxy group of phenylmethanol. It has a role as a plant metabolite. It is a benzoate ester, a member of phenols and a benzyl ester. It derives from a 2,5-dihydroxybenzoic acid.

SMILES: O=C(OCc1ccccc1)c1cc(O)ccc1O
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][N][/C][=Branch2][Ring2][O][=C][/C][=C][/C][=N+1][Branch2][Ring1][Ring1][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][O][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring2][O]

The molecule is the cationic form of a C3 cyanine dye having 3,3-dimethyl-1-octadecylindoleinine units at each end. It has a role as a fluorochrome. It is a Cy5 dye and an indolium ion.

SMILES: CCCCCCCCCCCCCCCCCCN1C(=CC=CC2=[N+](CCCCCCCCCCCCCCCCCC)c3ccccc3C2(C)C)C(C)(C)c2ccccc21
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][Branch1][C][N][=N][C][C][C][C][N][=C][N][=C][Branch1][C][N][C][=C][N][Ring1][#Branch1][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][Branch2][O]

The molecule is cytidine in which the 2-keto group on the cytosine ring is substituted by the amino group of agmatine. It derives from an agmatine.

SMILES: NC(N)=NCCCCN=c1nc(N)ccn1C1OC(CO)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>

[O][=C][Branch1][C][O-1][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2]

The molecule is a quinolinemonocarboxylate that is the conjugate base of quinaldic acid; major species at pH 7.3. It has a role as a human metabolite. It is a conjugate base of a quinaldic acid.

SMILES: O=C([O-])c1ccc2ccccc2n1
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][Branch1][O][O][C@H1][Branch1][C][C][C][=Branch1][C][=O][O-1][C@H1][Branch1][C][O][C@@H1][Branch1][Ring1][C][O][O][C@H1][Ring1][#C][O]

The molecule is a carbohydrate acid derivative anion that is the conjugate base of N-acetyl-beta-muramic acid, arising from deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of a N-acetyl-beta-D-muramic acid.

SMILES: CC(=O)NC1C(O)OC(CO)C(O)C1OC(C)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][=Branch1][C][=O][N][C@H1][C@@H1][Branch2][Branch2][Branch2][O][C@H1][C@@H1][Branch1][C][O][C@@H1][Branch1][Ring1][C][O][O][C@@H1][Branch2][Branch1][P][O][C@@H1][C@@H1][Branch1][#Branch1][N][C][Branch1][C][C][=O][C@H1][Branch2][Ring1][Branch1][O][C@@H1][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][O][C@H1][Branch1][Ring1][C][O][C@@H1][Ring1][#Branch2][O][O][C@H1][Branch1][Ring1][C][O][C@H1][Ring2][Ring1][Branch2][O][C@@H1][O][C@@H1][Branch1][C][C][C@@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring1][=Branch2][O][C@@H1][Ring2][Ring2][=N][O][C@@H1][O][C@@H1][Branch1][C][C][C@@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring1][=Branch2][O][O][C@H1][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C@@H1][Ring2][=Branch1][C][O]

The molecule is a branched amino pentasaccharide consisting of the trisaccharide beta-D-galactosyl-(1->3)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactose where the galactosyl residue at the non-reducing end has alpha-L-fucosyl and N-acetyl-alpha-D-galactosaminyl residues attached at the 2- and 3-positions respectively and the glucosaminyl residue has an alpha-L-fucosyl residue attached at the 4-position. It is an amino hexasaccharide, a galactosamine oligosaccharide and a glucosamine oligosaccharide.

SMILES: CC(=O)NC1C(OC2C(O)C(CO)OC(OC3C(NC(C)=O)C(OC4C(O)C(O)OC(CO)C4O)OC(CO)C3OC3OC(C)C(O)C(O)C3O)C2OC2OC(C)C(O)C(O)C2O)OC(CO)C(O)C1O