| 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 | DMID02171112 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H15NO7 |
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| Molecular Mass | 297.0849 |
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| SMILES | COc1cc(C(=O)CC(NCC(=O)O)C(=O)O)ccc1O |
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| InChI Key | RRGSJXQMXLBKMU-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-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersalpha amino acidsamino acidsanisolesaryl alkyl ketonesbenzoyl derivativesbutyrophenonescarboxylic acidsdialkylaminesdicarboxylic acids and derivativesgamma-keto acids and derivativeshydrocarbon derivativesmethoxybenzenesmethoxyphenolsorganic oxidesorganopnictogen compoundsphenoxy compounds |
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| Substituents | phenol ethermonocyclic benzene moietyethercarboxylic acidaryl alkyl ketoneamino acid or derivativesamino acidbenzoyl1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalpha-amino acid or derivativesalkyl aryl ethercarboxylic acid derivativeorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundsecondary aliphatic aminesecondary aminemethoxybenzenegamma-keto acidbutyrophenonearomatic homomonocyclic compoundanisoleketo aciddicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundalkyl-phenylketoneamine |
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