| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:14 UTC |
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| Update Date | 2025-03-25 01:01:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02249925 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H17NO4 |
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| Molecular Mass | 275.1158 |
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| SMILES | COc1ccc2cc(C(O)C(N)CC(=O)O)ccc2c1 |
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| InChI Key | QVJNLPCZDBLSAR-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 | beta amino acids and derivatives |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolesaromatic alcoholscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesnaphthalenesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcohols |
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| Substituents | aromatic alcoholalcoholphenol ethercarbonyl groupethercarboxylic acidaromatic homopolycyclic compoundalkyl aryl etherbeta amino acid or derivativesorganic oxidemonocarboxylic acid or derivativesnaphthaleneorganic oxygen compoundanisoleorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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