| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:31 UTC |
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| Update Date | 2025-03-25 00:56:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02221073 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16O5 |
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| Molecular Mass | 252.0998 |
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| SMILES | O=C(c1ccccc1)C1(O)CC(O)C(O)C(O)C1 |
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| InChI Key | SZZDHHVBMOGFIX-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 | carbonyl compounds |
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| Direct Parent | alkyl-phenylketones |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aryl alkyl ketonesbenzoyl derivativescyclitols and derivativescyclohexanolshydrocarbon derivativesorganic oxidestertiary alcohols |
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| Substituents | alcoholmonocyclic benzene moietyaryl alkyl ketonecyclohexanolbenzoylcyclitol or derivativescyclic alcoholaromatic homomonocyclic compoundtertiary alcoholorganic oxidesecondary alcoholhydrocarbon derivativebenzenoidalkyl-phenylketone |
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