| Record Information |
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| HMDB Status | predicted |
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| Creation Date | 2024-02-21 00:07:35 UTC |
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| Update Date | 2025-03-21 18:29:58 UTC |
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| HMDB ID | HMDB0133180 |
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| Metabolite Identification |
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| DeepMet ID | DMID00080419 |
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| Name | 2-benzylheptanoic acid |
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| Frequency | 36.1 |
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| Structure | |
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| Chemical Formula | C14H20O2 |
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| Molecular Mass | 220.1463 |
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| SMILES | CCCCCC(Cc1ccccc1)C(=O)O |
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| InChI Key | UWRIDFWFGAJTSH-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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