| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:01 UTC |
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| Update Date | 2025-03-25 00:59:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02235681 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H17NO8 |
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| Molecular Mass | 339.0954 |
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| SMILES | COc1cc(C=CC(=O)OC(=O)CC(N)C(=O)O)cc(OC)c1O |
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| InChI Key | PYOUXFOASIRCMF-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | aspartic acid and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersalpha amino acidsanisolescarbonyl compoundscarboxylic acid anhydridescarboxylic acidsdimethoxybenzeneshydrocarbon derivativeshydroxycinnamic acidsmethoxyphenolsmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundstricarboxylic acids and derivatives |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidmethoxyphenoltricarboxylic acid or derivativesalkyl aryl etherhydroxycinnamic acid or derivativesdimethoxybenzenecinnamic acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmethoxybenzenehydroxycinnamic acidaromatic homomonocyclic compoundorganic oxygen compoundm-dimethoxybenzeneanisoleaspartic acid or derivativescarboxylic acid anhydridephenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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