| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:29 UTC |
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| Update Date | 2025-03-21 18:33:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00096788 |
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| Frequency | 28.5 |
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| Structure | |
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| Chemical Formula | C10H11NO5 |
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| Molecular Mass | 225.0637 |
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| SMILES | Nc1ccc(O)cc1C(CC(=O)O)C(=O)O |
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| InChI Key | ZKOFJBNOBUGMPS-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-2-unsubstituted benzenoidsamino acidsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundsprimary amines |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidamino acid or derivativesamino acid1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundorganonitrogen compounddicarboxylic acid or derivativesorganopnictogen compoundphenolhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundamineorganooxygen compound |
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