| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:23 UTC |
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| Update Date | 2025-03-25 00:50:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179387 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H15NO4 |
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| Molecular Mass | 249.1001 |
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| SMILES | COc1cccc(C=CC(=O)CC(N)C(=O)O)c1 |
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| InChI Key | NDLWBFBUGHMWHE-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 compoundsalkyl aryl ethersalpha amino acidsamino fatty acidsanisolescarbocyclic fatty acidscarboxylic acidsenonesfatty acylsgamma-keto acids and derivativeshydrocarbon derivativesketonesmedium-chain keto acids and derivativesmethoxybenzenesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compounds |
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| Substituents | fatty acylcarbocyclic fatty acidphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidalpha-amino acid or derivativesalkyl aryl etheralpha,beta-unsaturated ketonecarboxylic acid derivativeketonecinnamic acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundenoneamino fatty acidmethoxybenzenegamma-keto acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisoleketo acidhydrocarbon derivativebenzenoidacryloyl-groupprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compoundmedium-chain keto acid |
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