| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:29 UTC |
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| Update Date | 2025-03-25 00:48:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02165860 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H27NO7 |
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| Molecular Mass | 381.1788 |
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| SMILES | CC1C(Oc2ccc(C(=O)CC(N)C(=O)O)cc2)OC(C(O)O)C(C)C1C |
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| InChI Key | MIXWUBULXFTOKC-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 | acetalsalpha amino acidsaryl alkyl ketonesbenzoyl derivativesbutyrophenonescarbonyl hydratescarboxylic acidsgamma-keto acids and derivativeshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenol ethersphenoxy compounds |
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| Substituents | phenol ethermonocyclic benzene moietycarboxylic acidaryl alkyl ketonecarbonyl hydratearomatic heteromonocyclic compoundbenzoylalpha-amino acid or derivativescarboxylic acid derivativeorganic oxideacetalorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxaneorganoheterocyclic compoundgamma-keto acidbutyrophenoneoxacyclemonocarboxylic acid or derivativesketo acidhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundalkyl-phenylketone |
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