| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:51:26 UTC |
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| Update Date | 2025-03-21 18:03:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00041964 |
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| Frequency | 81.6 |
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| Structure | |
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| Chemical Formula | C13H15NO5 |
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| Molecular Mass | 265.095 |
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| SMILES | COc1cc(C=CC(=O)CC(N)C(=O)O)ccc1O |
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| InChI Key | AMCCHMWBMIJIFJ-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 | hydroxycinnamic acids and derivatives |
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| Direct Parent | hydroxycinnamic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsacryloyl compoundsalkyl aryl ethersalpha amino acidsamino fatty acidsanisolescarbocyclic fatty acidscarboxylic acidsenonesfatty acylsgamma-keto acids and derivativeshydrocarbon derivativeshydroxy fatty acidsketonesmedium-chain keto acids and derivativesmethoxybenzenesmethoxyphenolsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compounds |
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| Substituents | fatty acylcarbocyclic fatty acidphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalpha-amino acid or derivativesalkyl aryl etheralpha,beta-unsaturated ketonecarboxylic acid derivativeketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidenoneamino fatty acidmethoxybenzenehydroxycinnamic acidgamma-keto acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisoleketo acidphenolhydrocarbon derivativebenzenoidacryloyl-groupprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compoundmedium-chain keto acid |
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