| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:48 UTC |
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| Update Date | 2025-03-25 00:48:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02171110 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H15NO5 |
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| Molecular Mass | 289.095 |
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| SMILES | COc1cc(C(=O)CCNC(=O)c2ccco2)ccc1O |
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| InChI Key | XALZMQWOPGPXPX-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 | 1-hydroxy-2-unsubstituted benzenoids2-heteroaryl carboxamidesalkyl aryl ethersanisolesaryl alkyl ketonesbenzoyl derivativescarboxylic acids and derivativesfuroic acid and derivativesheteroaromatic compoundshydrocarbon derivativesmethoxybenzenesmethoxyphenolsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsphenoxy compoundssecondary carboxylic acid amides |
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| Substituents | furanphenol ethermonocyclic benzene moietyetheraryl alkyl ketonearomatic heteromonocyclic compoundbenzoyl1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethercarboxylic acid derivative2-heteroaryl carboxamideorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundfuroic acid or derivativesheteroaromatic compoundcarboxamide groupmethoxybenzeneoxacyclesecondary carboxylic acid amideanisolephenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundalkyl-phenylketone |
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