| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 08:52:05 UTC |
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| Update Date | 2025-03-25 00:26:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01328250 |
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| Frequency | 1.0 |
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| Structure | |
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| Chemical Formula | C7H12O2 |
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| Molecular Mass | 128.0837 |
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| SMILES | CCC(=O)C1(O)CCC1 |
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| InChI Key | IPGZELBHPWEVLY-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 | cyclic alcohols and derivativeshydrocarbon derivativesketonesorganic oxides |
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| Substituents | ketonecarbonyl grouptertiary alcoholorganic oxidecyclobutanolaliphatic homomonocyclic compoundhydrocarbon derivative |
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