| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:56 UTC |
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| Update Date | 2025-03-25 00:46:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153338 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H22N2O5 |
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| Molecular Mass | 310.1529 |
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| SMILES | COc1ccc(NCC(O)CO)c(C(=O)CCNC(C)=O)c1 |
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| InChI Key | SDDGSTXPFKWJSI-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 | 1,2-diolsacetamidesalkyl aryl ethersamino acids and derivativesanisolesaryl alkyl ketonesbenzoyl derivativescarboxylic acids and derivativeshydrocarbon derivativesmethoxybenzenesorganic oxidesorganopnictogen compoundsphenoxy compoundsphenylalkylaminesprimary alcoholssecondary alcoholssecondary 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 compoundprimary alcoholacetamide1,2-diolalcoholvinylogous amidesecondary aminecarboxamide groupmethoxybenzenesecondary aliphatic/aromatic aminearomatic homomonocyclic compoundsecondary carboxylic acid amideanisolesecondary alcoholphenylalkylaminehydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundaminealkyl-phenylketone |
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