| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:27 UTC |
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| Update Date | 2025-03-25 00:56:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02218562 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H22O6 |
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| Molecular Mass | 322.1416 |
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| SMILES | Cc1ccc(CCC(=O)O)c(CCC(=O)O)c1CCCC(=O)O |
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| InChI Key | RCCGXWONYOGTMY-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | phenylpropanoic acids |
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| Subclass | phenylpropanoic acids |
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| Direct Parent | phenylpropanoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidshydrocarbon derivativesorganic oxidestoluenestricarboxylic acids and derivatives |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidtricarboxylic acid or derivativescarboxylic acid derivativearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundhydrocarbon derivativebenzenoidtolueneorganooxygen compound |
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