| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:36 UTC |
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| Update Date | 2025-03-21 18:35:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00106927 |
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| Frequency | 25.2 |
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| Structure | |
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| Chemical Formula | C14H20N2O4 |
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| Molecular Mass | 280.1423 |
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| SMILES | COc1ccc(NCCO)c(C(=O)CCNC(C)=O)c1 |
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| InChI Key | AUAMQZVYDNUIPE-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 | acetamidesalcohols and polyolsalkanolaminesalkyl aryl ethersamino acids and derivativesanisolesaryl alkyl ketonesbenzoyl derivativescarboxylic acids and derivativeshydrocarbon derivativesmethoxybenzenesorganic oxidesorganopnictogen compoundsphenoxy compoundsphenylalkylaminessecondary alkylarylaminessecondary carboxylic acid amidesvinylogous amides |
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| Substituents | phenol ethermonocyclic benzene moietyetheraryl alkyl ketoneamino acid or derivativesbenzoylalkyl aryl ethercarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundacetamidealkanolaminealcoholvinylogous amidesecondary aminecarboxamide groupmethoxybenzenesecondary aliphatic/aromatic aminearomatic homomonocyclic compoundsecondary carboxylic acid amideanisolephenylalkylaminehydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundaminealkyl-phenylketone |
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