| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:40 UTC |
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| Update Date | 2025-03-25 00:46:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02155055 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H19NO |
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| Molecular Mass | 193.1467 |
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| SMILES | Cc1ccc(C(C)(C)C)c(CN)c1O |
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| InChI Key | VJGXTOQEFODPCJ-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-4-unsubstituted benzenoidshydrocarbon derivativesmonoalkylaminesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsortho cresolstoluenes |
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| Substituents | 1-hydroxy-4-unsubstituted benzenoidphenylpropanearomatic homomonocyclic compoundorganic oxygen compoundo-cresolorganonitrogen compoundorganopnictogen compoundphenolhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundtolueneorganooxygen compound |
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