| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:13:40 UTC |
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| Update Date | 2025-03-21 18:33:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00094777 |
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| Frequency | 29.3 |
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| Structure | |
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| Chemical Formula | C8H9NO3 |
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| Molecular Mass | 167.0582 |
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| SMILES | COc1cc(N)ccc1C(=O)O |
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| InChI Key | OLJXRTRRJSMURJ-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 | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | o-methoxybenzoic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsalkyl aryl ethersamino acidsanisolesbenzoic acidsbenzoyl derivativeshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenoxy compoundsprimary amines |
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| Substituents | phenol etherethercarboxylic acidamino acid or derivativesamino acidbenzoylalkyl aryl ethercarboxylic acid derivativeorganic oxideo-methoxybenzoic acid or derivativesorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidmethoxybenzenearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisolehydrocarbon derivativeprimary amineorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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