| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 12:48:46 UTC |
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| Update Date | 2025-03-24 21:47:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01892997 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C5H9NO3 |
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| Molecular Mass | 131.0582 |
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| SMILES | CC1OC(=O)OC1CN |
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| InChI Key | AQMCSOBPMIEPHU-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | organic carbonic acids and derivatives |
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| Subclass | carbonic acid diesters |
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| Direct Parent | carbonic acid diesters |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,3-dioxolanescarbonyl compoundshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compounds |
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| Substituents | meta-dioxolanecarbonyl groupcarbonic acid diesteroxacycleorganic oxideorganic oxygen compoundaliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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