| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 08:36:46 UTC |
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| Update Date | 2025-03-25 00:21:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01291945 |
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| Frequency | 1.0 |
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| Structure | |
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| Chemical Formula | C7H12O3 |
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| Molecular Mass | 144.0786 |
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| SMILES | O=C(O)C1CCCCOC1 |
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| InChI Key | PLFPKZXRJBYYPM-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | oxepanes |
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| Subclass | oxepanes |
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| Direct Parent | oxepanes |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsdialkyl ethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compounds |
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| Substituents | carbonyl groupethercarboxylic acidcarboxylic acid derivativedialkyl etheroxepaneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaliphatic heteromonocyclic compoundhydrocarbon derivativeorganooxygen compound |
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