| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:35 UTC |
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| Update Date | 2025-03-25 00:56:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02221219 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H14O5 |
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| Molecular Mass | 238.0841 |
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| SMILES | O=C(O)CC(COCc1ccccc1)C(=O)O |
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| InChI Key | NQHBECIDTIYRTF-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 | carbonyl compoundscarboxylic acidsdialkyl ethersdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxides |
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| Substituents | carbonyl groupethercarboxylic acidbenzylethercarboxylic acid derivativedialkyl etheraromatic homomonocyclic compoundorganic oxideorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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