| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:45:03 UTC |
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| Update Date | 2025-03-21 18:00:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00026783 |
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| Frequency | 142.3 |
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| Structure | |
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| Chemical Formula | C13H18O2 |
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| Molecular Mass | 206.1307 |
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| SMILES | CCCCC(Cc1ccccc1)C(=O)O |
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| InChI Key | NQQBWCDFWBAYBJ-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 | benzene and substituted derivativesbranched fatty acidscarbocyclic fatty acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmedium-chain fatty acidsmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | fatty acylcarbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidfatty acidcarboxylic acid derivativebranched fatty acidaromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativemedium-chain fatty acidbenzenoidorganooxygen compound |
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