| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:54 UTC |
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| Update Date | 2025-03-25 00:53:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02203306 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H13NO6 |
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| Molecular Mass | 279.0743 |
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| SMILES | O=C(O)CCC(=NOC(=O)Cc1ccccc1)C(=O)O |
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| InChI Key | MWQLUHVUCZFEEM-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 | benzene and substituted derivativescarbonyl compoundscarboxylic acid saltscarboxylic acidshydrocarbon derivativesorganic oxidesorganic saltsorganonitrogen compoundsorganopnictogen compoundsoxime esters |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidtricarboxylic acid or derivativesoximesteraromatic homomonocyclic compoundorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganic saltcarboxylic acid saltorganooxygen compound |
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