| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:31:25 UTC |
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| Update Date | 2025-03-21 18:42:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00137302 |
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| Frequency | 18.2 |
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| Structure | |
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| Chemical Formula | C13H16O5 |
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| Molecular Mass | 252.0998 |
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| SMILES | COc1ccc(CCC(=O)CC(=O)O)cc1OC |
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| InChI Key | OLDFGAVQTJKYLF-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 ethersanisolesbeta-hydroxy ketonesbeta-keto acids and derivativescarbocyclic fatty acidscarboxylic acidsfatty acylshydrocarbon derivativesmedium-chain keto acids and derivativesmonocarboxylic acids and derivativesorganic oxidesphenoxy compounds |
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| Substituents | fatty acylbeta-hydroxy ketonecarbocyclic fatty acidphenol ethercarbonyl groupethercarboxylic acidalkyl aryl ethercarboxylic acid derivativebeta-keto acidketonedimethoxybenzeneorganic oxideo-dimethoxybenzenearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisoleketo acidhydrocarbon derivativephenoxy compoundorganooxygen compoundmedium-chain keto acid |
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