| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:15 UTC |
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| Update Date | 2025-03-25 00:53:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201808 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H16O5 |
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| Molecular Mass | 264.0998 |
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| SMILES | Cc1ccc(C=O)c(CCC(=O)O)c1CCC(=O)O |
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| InChI Key | RYXJWILQSXYWNF-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 | benzaldehydesbenzoyl derivativescarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidestoluenes |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidbenzoylaldehydecarboxylic acid derivativearomatic homomonocyclic compoundbenzaldehydeorganic oxidearyl-aldehydeorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidtolueneorganooxygen compound |
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