| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:44 UTC |
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| Update Date | 2025-03-25 00:46:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157411 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H18O6 |
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| Molecular Mass | 282.1103 |
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| SMILES | O=C(O)CCCCOc1ccc(CC(O)C(=O)O)cc1 |
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| InChI Key | DQAZFSQDCQLJRX-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 | alkyl aryl ethersalpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesphenol ethersphenoxy compoundssecondary alcohols |
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| Substituents | alcoholphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid3-phenylpropanoic-acidalpha-hydroxy acidhydroxy acidalkyl aryl ethercarboxylic acid derivativearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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