| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:10:25 UTC |
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| Update Date | 2025-03-21 18:31:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00087080 |
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| Frequency | 32.7 |
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| Structure | |
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| Chemical Formula | C12H19NO3 |
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| Molecular Mass | 225.1365 |
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| SMILES | COCCc1ccc(OCC(O)CN)cc1 |
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| InChI Key | XJWXVDJGNOHFLR-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 | alkyl aryl ethersdialkyl ethershydrocarbon derivativesmonoalkylaminesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundssecondary alcohols |
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| Substituents | alcoholphenol ethermonocyclic benzene moietyetheralkyl aryl etherdialkyl etheraromatic homomonocyclic compoundorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeprimary aliphatic aminetyrosol derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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