| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:31 UTC |
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| Update Date | 2025-03-25 00:49:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02177419 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H20O4 |
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| Molecular Mass | 240.1362 |
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| SMILES | COCCc1ccc(OCCC(O)CO)cc1 |
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| InChI Key | FEMKOKRARFMSNB-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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