Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 01:38:17 UTC |
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Update Date | 2025-03-21 19:59:40 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00292735 |
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Frequency | 6.8 |
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Structure | |
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Chemical Formula | C4H9NO2 |
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Molecular Mass | 103.0633 |
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SMILES | NCC1(O)COC1 |
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InChI Key | VJXPRLZGWQAQEX-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Kingdom | organic compounds |
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Superclass | organic oxygen compounds |
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Class | organooxygen compounds |
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Subclass | alcohols and polyols |
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Direct Parent | tertiary alcohols |
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Geometric Descriptor | aliphatic heteromonocyclic compounds |
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Alternative Parents | dialkyl ethershydrocarbon derivativesmonoalkylaminesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxetanes |
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Substituents | etherdialkyl etheroxacycletertiary alcoholoxetanealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganoheterocyclic compound |
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