| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:48 UTC |
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| Update Date | 2025-03-25 00:50:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180360 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H17NO3 |
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| Molecular Mass | 235.1208 |
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| SMILES | COc1ccc(C(=O)CN2CCOCC2)cc1 |
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| InChI Key | PRNIJNNASXWSKF-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 heteromonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersalpha-amino ketonesanisolesaryl alkyl ketonesazacyclic compoundsbenzoyl derivativesdialkyl ethershydrocarbon derivativesmethoxybenzenesmorpholinesorganic oxidesorganopnictogen compoundsoxacyclic compoundsphenoxy compoundstrialkylamines |
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| Substituents | phenol ethermonocyclic benzene moietyetheraryl alkyl ketonearomatic heteromonocyclic compoundbenzoylalkyl aryl etherdialkyl etherorganic oxidealpha-aminoketoneorganonitrogen compoundorganopnictogen compoundtertiary amineorganoheterocyclic compoundazacycletertiary aliphatic aminemethoxybenzeneoxazinaneoxacyclemorpholineanisolehydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundaminealkyl-phenylketone |
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