| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:57:44 UTC |
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| Update Date | 2025-03-25 00:52:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02196029 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H14O5 |
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| Molecular Mass | 202.0841 |
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| SMILES | CC1(O)C=CC(O)C(O)COC(=O)C1 |
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| InChI Key | ZBGKUYFKDNANRP-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 heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acid estershydrocarbon derivativeslactonesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundssecondary alcohols |
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| Substituents | carbonyl groupcarboxylic acid derivativelactoneoxacycletertiary alcoholorganic oxidemonocarboxylic acid or derivativescarboxylic acid esteraliphatic heteromonocyclic compoundsecondary alcoholhydrocarbon derivativeorganoheterocyclic compound |
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