| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 08:26:43 UTC |
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| Update Date | 2025-03-25 00:17:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01268600 |
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| Frequency | 1.0 |
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| Structure | |
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| Chemical Formula | C6H9NO2 |
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| Molecular Mass | 127.0633 |
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| SMILES | NC(=O)C1=COCCC1 |
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| InChI Key | GWDODVJRGDJKMA-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 esters |
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| Subclass | vinylogous esters |
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| Direct Parent | vinylogous esters |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary carboxylic acid amides |
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| Substituents | primary carboxylic acid amidecarbonyl groupvinylogous estercarboxamide groupcarboxylic acid derivativeoxacycleorganic oxideorganic oxygen compoundaliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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