| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:44 UTC |
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| Update Date | 2025-03-25 00:54:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02207501 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H13NO5 |
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| Molecular Mass | 251.0794 |
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| SMILES | Nc1ccccc1CC(=O)OC(=O)CCC(=O)O |
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| InChI Key | IKLQQDOHVJODDN-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 | carboxylic acids and derivatives |
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| Subclass | tricarboxylic acids and derivatives |
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| Direct Parent | tricarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | amino acidsbenzene and substituted derivativescarbonyl compoundscarboxylic acid anhydridescarboxylic acidshydrocarbon derivativesorganic oxidesorganopnictogen compoundsprimary amines |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidamino acid or derivativesamino acidtricarboxylic acid or derivativesaromatic homomonocyclic compoundorganic oxideorganic oxygen compoundorganonitrogen compoundcarboxylic acid anhydrideorganopnictogen compoundhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundamineorganooxygen compound |
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