| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:02:37 UTC |
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| Update Date | 2025-03-21 18:07:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00068424 |
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| Frequency | 44.3 |
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| Structure | |
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| Chemical Formula | C7H12O4 |
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| Molecular Mass | 160.0736 |
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| SMILES | O=C(O)CC1(O)CCOCC1 |
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| InChI Key | MYDOETMBFGJORC-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 ethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundstertiary alcohols |
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| Substituents | alcoholcarbonyl groupethercarboxylic acidcarboxylic acid derivativedialkyl etheroxacycletertiary alcoholorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaliphatic heteromonocyclic compoundhydrocarbon derivativeoxaneorganooxygen compound |
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