| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:14 UTC |
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| Update Date | 2025-03-25 00:54:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02208664 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H13NO3 |
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| Molecular Mass | 207.0895 |
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| SMILES | CC(=O)c1c(C)c(C)c(O)c(C=O)c1N |
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| InChI Key | JDBNDRXGCPDTFD-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | alkyl-phenylketones |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acetophenonesaryl alkyl ketonesbenzoyl derivativeshydrocarbon derivativeshydroxybenzaldehydesmeta cresolsorganic oxidesorganooxygen compoundsorganopnictogen compoundsortho cresolsphenolsprimary aminesvinylogous acidsvinylogous amideso-xylenes |
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| Substituents | monocyclic benzene moietyaryl alkyl ketonebenzoylxyleneorganic oxidearyl-aldehydeo-cresolorganonitrogen compoundacetophenoneorganopnictogen compoundvinylogous amidem-cresolaldehydearomatic homomonocyclic compoundvinylogous acidbenzaldehydeo-xylenephenolhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundhydroxybenzaldehydeaminealkyl-phenylketone |
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