| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:00 UTC |
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| Update Date | 2025-03-25 00:47:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162429 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H14O5 |
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| Molecular Mass | 250.0841 |
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| SMILES | O=C(O)C=Cc1cccc(OCCCC(=O)O)c1 |
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| InChI Key | XBKWAXQSRYLPTN-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 | cinnamic acids and derivatives |
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| Subclass | cinnamic acids and derivatives |
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| Direct Parent | cinnamic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl etherscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesphenol ethersphenoxy compounds |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidalkyl aryl ethercarboxylic acid derivativearomatic homomonocyclic compoundcinnamic acid or derivativesorganic oxideorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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