| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 01:18:28 UTC |
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| Update Date | 2025-03-21 19:10:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00247161 |
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| Frequency | 8.5 |
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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 | CC1(O)CCC(O)CC1=O |
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| InChI Key | PYZDOJCJQMUMIN-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 | carbonyl compounds |
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| Direct Parent | acyloins |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | cyclic alcohols and derivativescyclic ketoneshydrocarbon derivativesorganic oxidessecondary alcoholstertiary alcohols |
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| Substituents | alcoholcyclic ketonecyclic alcoholketonetertiary alcoholorganic oxideacyloinsecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivative |
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