| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:19:33 UTC |
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| Update Date | 2025-03-21 18:36:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00109254 |
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| Frequency | 24.5 |
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| Structure | |
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| Chemical Formula | C11H14O4 |
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| Molecular Mass | 210.0892 |
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| SMILES | O=C(CCC(O)Cc1ccccc1)OO |
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| InChI Key | CXNSZDJKLXUKDP-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzene and substituted derivatives |
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| Direct Parent | benzene and substituted derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | carbonyl compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic hydroperoxidesorganic oxidesperoxolsperoxycarboxylic acids and derivativessecondary alcohols |
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| Substituents | alcoholmonocyclic benzene moietycarbonyl grouphydroperoxidecarboxylic acid derivativeperoxolaromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundperoxycarboxylic acid or derivativessecondary alcoholhydrocarbon derivativeorganooxygen compound |
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