| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:01:55 UTC |
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| Update Date | 2025-03-21 18:07:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00066735 |
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| Frequency | 45.7 |
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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 | CC1(O)CC(=O)C(O)C(O)C1 |
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| InChI Key | GSAJAVYYXHIGSZ-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 | cyclitols and derivatives |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | cyclic ketoneshydrocarbon derivativesorganic oxidessecondary alcoholstertiary alcohols |
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| Substituents | carbonyl groupcyclitol or derivativescyclic ketoneketonetertiary alcoholorganic oxidesecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivative |
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