| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:46 UTC |
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| Update Date | 2025-03-25 00:50:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180277 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H17NO |
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| Molecular Mass | 179.131 |
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| SMILES | Cc1cc(C(C)(C)CN)ccc1O |
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| InChI Key | HDKZFLDPLYAIAB-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 | phenylpropanes |
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| Direct Parent | phenylpropanes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidshydrocarbon derivativesmonoalkylaminesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsortho cresolstoluenes |
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| Substituents | 1-hydroxy-2-unsubstituted benzenoidphenylpropanearomatic homomonocyclic compoundorganic oxygen compoundo-cresolorganonitrogen compoundorganopnictogen compoundphenolhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundtolueneorganooxygen compound |
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