| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:48:22 UTC |
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| Update Date | 2025-03-21 18:01:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00034607 |
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| Frequency | 103.8 |
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| Structure | |
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| Chemical Formula | C12H18O4 |
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| Molecular Mass | 226.1205 |
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| SMILES | COCCc1ccc(OCC(O)CO)cc1 |
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| InChI Key | MELFVOGWPJFQBB-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 | phenols |
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| Subclass | tyrosols and derivatives |
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| Direct Parent | tyrosols and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1,2-diolsalkyl aryl ethersdialkyl ethershydrocarbon derivativesphenol ethersphenoxy compoundsprimary alcoholssecondary alcohols |
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| Substituents | alcoholphenol ethermonocyclic benzene moietyetheralkyl aryl etherdialkyl etheraromatic homomonocyclic compoundorganic oxygen compoundsecondary alcoholhydrocarbon derivativetyrosol derivativephenoxy compoundprimary alcoholorganooxygen compound1,2-diol |
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