| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:47 UTC |
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| Update Date | 2025-03-25 00:48:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02171080 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H9NO4 |
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| Molecular Mass | 195.0532 |
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| SMILES | COc1cc(C(=O)C(=O)O)ccc1N |
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| InChI Key | LVZHCZTXLSJRLG-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | phenol ethers |
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| Subclass | anisoles |
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| Direct Parent | anisoles |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersalpha-keto acids and derivativesamino acidsaryl ketonesbenzoyl derivativescarboxylic acidshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenoxy compoundsprimary amines |
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| Substituents | monocyclic benzene moietycarbonyl groupethercarboxylic acidamino acid or derivativesamino acidbenzoylalkyl aryl ethercarboxylic acid derivativeketoneorganic oxideorganonitrogen compoundalpha-keto acidorganopnictogen compoundmethoxybenzenearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisoleketo acidhydrocarbon derivativeprimary amineorganic nitrogen compoundphenoxy compoundamineorganooxygen compoundaryl ketone |
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