| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:49 UTC |
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| Update Date | 2025-03-21 18:36:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00112301 |
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| Frequency | 23.6 |
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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 | COc1ccc(CCC(=O)C(=O)O)cc1OC |
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| InChI Key | OHJFWZAOGWQZSW-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 | methoxybenzenes |
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| Direct Parent | dimethoxybenzenes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersalpha-hydroxy ketonesalpha-keto acids and derivativesanisolescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenoxy compounds |
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| Substituents | phenol ethercarbonyl groupethercarboxylic acidalkyl aryl etheralpha-hydroxy ketonecarboxylic acid derivativeketonearomatic homomonocyclic compounddimethoxybenzeneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundanisoleketo acido-dimethoxybenzenealpha-keto acidhydrocarbon derivativephenoxy compoundorganooxygen compound |
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