| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:45:32 UTC |
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| Update Date | 2025-03-21 18:00:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00027902 |
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| Frequency | 135.5 |
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| Structure | |
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| Chemical Formula | C13H21NO2 |
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| Molecular Mass | 223.1572 |
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| SMILES | COCCc1ccc(OCCN(C)C)cc1 |
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| InChI Key | KDDBBQAWYSLFHR-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 derivativesorganopnictogen compoundsphenol ethersphenoxy compoundstrialkylamines |
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| Substituents | phenol ethermonocyclic benzene moietyethertertiary aliphatic aminealkyl aryl etherdialkyl etheraromatic homomonocyclic compoundorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativetyrosol derivativeorganic nitrogen compoundphenoxy compoundaminetertiary amineorganooxygen compound |
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