| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:04:12 UTC |
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| Update Date | 2025-03-25 00:55:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02211013 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H15NO3 |
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| Molecular Mass | 209.1052 |
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| SMILES | CC(=O)NC1=C(O)C(C(C)C)=C(C)C1=O |
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| InChI Key | TVTCPGXLNCJWKZ-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 | vinylogous acids |
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| Subclass | vinylogous acids |
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| Direct Parent | vinylogous acids |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | acetamidescarboxylic acids and derivativescyclic ketoneshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | carbonyl groupcyclic ketonecarboxamide groupcarboxylic acid derivativeketonesecondary carboxylic acid amidevinylogous acidorganic oxideorganic oxygen compoundorganonitrogen compoundaliphatic homomonocyclic compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundacetamideorganooxygen compound |
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