| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:42 UTC |
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| Update Date | 2025-03-25 01:01:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02250999 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H11NO4 |
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| Molecular Mass | 221.0688 |
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| SMILES | O=C(O)CCC=Nc1ccc(C(=O)O)cc1 |
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| InChI Key | XQGQWECHCFCBHV-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | benzoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aldiminesbenzoyl derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | carbonyl groupcarboxylic acidiminebenzoylorganic 1,3-dipolar compoundcarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundaromatic homomonocyclic compoundaldimineorganic oxideorganic oxygen compoundorganonitrogen compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundbenzoic acidorganooxygen compound |
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