| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:41 UTC |
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| Update Date | 2025-03-25 00:50:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180054 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H13NO2 |
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| Molecular Mass | 179.0946 |
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| SMILES | Cc1cc(CCC(N)=O)ccc1O |
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| InChI Key | YXMSCDYZCRMICZ-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 | cresols |
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| Direct Parent | ortho cresols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidscarbonyl compoundscarboxylic acids and derivativesfatty amideshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amidestoluenes |
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| Substituents | primary carboxylic acid amidefatty acylmonocyclic benzene moietycarbonyl groupfatty amide1-hydroxy-2-unsubstituted benzenoidcarboxamide groupcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundo-cresolorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundtolueneorganooxygen compound |
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