| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 16:38:41 UTC |
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| Update Date | 2025-03-25 01:30:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02428940 |
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| Frequency | 0.5 |
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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 | C=CC1(O)COCC(O)C1 |
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| InChI Key | YQOBCGAFIDMBPT-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 | dialkyl ethershydrocarbon derivativesoxacyclic compoundssecondary alcoholstertiary alcohols |
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| Substituents | alcoholetherdialkyl etheroxacycletertiary alcoholorganic oxygen compoundaliphatic heteromonocyclic compoundsecondary alcoholhydrocarbon derivativeoxaneorganooxygen compound |
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