| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:03:35 UTC |
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| Update Date | 2025-03-21 18:28:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00070740 |
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| Frequency | 42.5 |
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| Structure | |
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| Chemical Formula | C9H11NO4 |
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| Molecular Mass | 197.0688 |
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| SMILES | Nc1cccc(C(O)CC(=O)O)c1O |
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| InChI Key | MJHKURQBXMIJEN-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | phenylpropanoic acids |
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| Subclass | phenylpropanoic acids |
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| Direct Parent | phenylpropanoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-4-unsubstituted benzenoidsamino acidsaromatic alcoholsbenzene and substituted derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary aminessecondary alcohols |
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| Substituents | aromatic alcoholmonocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidamino acid or derivativesamino acidcarboxylic acid derivativebeta-hydroxy acidorganic oxideorganonitrogen compoundorganopnictogen compoundalcoholhydroxy acid1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholphenolhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundamineorganooxygen compound |
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