| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 10:33:21 UTC |
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| Update Date | 2025-03-24 20:48:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01570708 |
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| Frequency | 0.8 |
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| Structure | |
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| Chemical Formula | C7H10O3 |
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| Molecular Mass | 142.063 |
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| SMILES | O=C1C=C(C(O)CO)CC1 |
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| InChI Key | OFPOEKYRLKESLE-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 | 1,2-diols |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | cyclic ketoneshydrocarbon derivativesorganic oxidesprimary alcoholssecondary alcohols |
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| Substituents | carbonyl groupcyclic ketoneketoneorganic oxidesecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivativeprimary alcohol1,2-diol |
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