| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:57:03 UTC |
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| Update Date | 2025-03-21 18:54:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00197388 |
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| Frequency | 11.4 |
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| Structure | |
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| Chemical Formula | C8H12O2 |
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| Molecular Mass | 140.0837 |
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| SMILES | O=CCC1(O)C=CCCC1 |
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| InChI Key | INIUVZRPSMDQNR-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 homomonocyclic compounds |
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| Alternative Parents | alpha-hydrogen aldehydeshydrocarbon derivativesorganic oxides |
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| Substituents | carbonyl grouptertiary alcoholorganic oxidealpha-hydrogen aldehydealiphatic homomonocyclic compoundaldehydehydrocarbon derivative |
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