| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:50 UTC |
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| Update Date | 2025-03-25 00:54:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02205435 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H15NO5 |
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| Molecular Mass | 265.095 |
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| SMILES | NC(Cc1ccccc1)OC(=O)CCC(=O)C(=O)O |
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| InChI Key | HYHUJFZFMVFDCL-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 | keto acids and derivatives |
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| Subclass | gamma-keto acids and derivatives |
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| Direct Parent | gamma-keto acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha-hydroxy ketonesalpha-keto acids and derivativesbenzene and substituted derivativescarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidalpha-hydroxy ketonecarboxylic acid derivativegamma-keto acidketonearomatic homomonocyclic compoundfatty acid esterorganic oxideorganic oxygen compoundcarboxylic acid esterorganonitrogen compoundalpha-keto aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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