| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:21:00 UTC |
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| Update Date | 2025-03-21 18:36:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00112754 |
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| Frequency | 23.5 |
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| Structure | |
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| Chemical Formula | C9H11NO3 |
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| Molecular Mass | 181.0739 |
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| SMILES | Nc1ccccc1C(CO)C(=O)O |
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| InChI Key | BGOIRFPSJDHVPV-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 | hydroxy acids and derivatives |
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| Subclass | beta hydroxy acids and derivatives |
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| Direct Parent | beta hydroxy acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | amino acidsbenzene and substituted derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary alcoholsprimary amines |
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| Substituents | alcoholmonocyclic benzene moietycarbonyl groupcarboxylic acidamino acid or derivativesamino acidcarboxylic acid derivativearomatic homomonocyclic compoundbeta-hydroxy acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundprimary alcoholamineorganooxygen compound |
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