| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:19 UTC |
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| Update Date | 2025-03-25 00:58:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02234032 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H12O4 |
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| Molecular Mass | 208.0736 |
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| SMILES | O=C(O)CC(=O)COCc1ccccc1 |
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| InChI Key | ORYURBMWVSADFI-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzylethers |
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| Direct Parent | benzylethers |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | beta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsdialkyl ethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | beta-hydroxy ketonecarbonyl groupethercarboxylic acidbenzylethercarboxylic acid derivativedialkyl etherbeta-keto acidketonearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundketo acidhydrocarbon derivativeorganooxygen compound |
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