| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:00 UTC |
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| Update Date | 2025-03-21 18:04:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00050520 |
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| Frequency | 65.0 |
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| Structure | |
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| Chemical Formula | C14H18O4 |
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| Molecular Mass | 250.1205 |
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| SMILES | CC(C)COC(=O)c1ccc(C(C)C(=O)O)cc1 |
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| InChI Key | FTLIXDUHFLRRJL-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 | aromatic monoterpenoidsbenzoic acid estersbenzoyl derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmonocyclic monoterpenoidsorganic oxides |
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| Substituents | monoterpenoidmonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidcarboxylic acidbenzoylbenzoic acid or derivativesbenzoate esterp-cymenecarboxylic acid derivativearomatic homomonocyclic compoundorganic oxideorganic oxygen compound2-phenylpropanoic-acidcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganooxygen compoundaromatic monoterpenoid |
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