| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:47:32 UTC |
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| Update Date | 2025-03-21 18:01:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00032602 |
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| Frequency | 111.8 |
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| Structure | |
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| Chemical Formula | C9H14O5 |
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| Molecular Mass | 202.0841 |
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| SMILES | O=C(O)CC1CCC(CC(=O)O)OC1 |
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| InChI Key | NXSALNUQFVIAAT-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 | oxanes |
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| Subclass | oxanes |
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| Direct Parent | oxanes |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsdialkyl ethersdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesoxacyclic compounds |
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| Substituents | carbonyl groupethercarboxylic acidcarboxylic acid derivativedialkyl etheroxacycleorganic oxideorganic oxygen compoundaliphatic heteromonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivativeoxaneorganooxygen compound |
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