| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:08 UTC |
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| Update Date | 2025-03-25 00:57:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02224725 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H13NO5 |
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| Molecular Mass | 239.0794 |
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| SMILES | Nc1ccc(CC(O)(CC(=O)O)C(=O)O)cc1 |
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| InChI Key | OIXJGUGYEKSFJB-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 | alpha hydroxy acids and derivativesamino acidsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundsprimary aminestertiary alcohols |
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| Substituents | alcoholmonocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidamino acid or derivativesamino acidalpha-hydroxy acidhydroxy acidcarboxylic acid derivativearomatic homomonocyclic compoundtertiary alcoholorganic oxideorganic oxygen compoundorganonitrogen compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundamineorganooxygen compound |
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