| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:06:12 UTC |
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| Update Date | 2025-03-25 00:56:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02215674 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H17NO3 |
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| Molecular Mass | 247.1208 |
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| SMILES | CCCC(=O)C(=Cc1ccccc1)NCC(=O)O |
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| InChI Key | DTVCPKJZEXCCEC-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 | acryloyl compoundsalpha amino acidsalpha-branched alpha,beta-unsaturated ketonesamino acidsbenzene and substituted derivativescarboxylic acidsdialkylaminesenoneshydrocarbon derivativesketonesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidamino acid or derivativesamino acidalpha-amino acid or derivativesalpha,beta-unsaturated ketonecarboxylic acid derivativeketonecinnamic acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundenonealpha-branched alpha,beta-unsaturated-ketonesecondary aliphatic aminesecondary aminearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidacryloyl-grouporganic nitrogen compoundorganooxygen compoundamine |
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