| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:50:21 UTC |
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| Update Date | 2025-03-21 18:02:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00039345 |
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| Frequency | 88.5 |
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| Structure | |
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| Chemical Formula | C14H18O2 |
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| Molecular Mass | 218.1307 |
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| SMILES | O=C(O)C1(Cc2ccccc2)CCCCC1 |
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| InChI Key | KIBHWMRCNKMKQJ-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 derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganooxygen compound |
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