| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:19:24 UTC |
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| Update Date | 2025-03-21 18:36:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00108879 |
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| Frequency | 24.6 |
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| Structure | |
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| Chemical Formula | C10H11ClO4 |
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| Molecular Mass | 230.0346 |
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| SMILES | COc1cc(CC(=O)O)cc(Cl)c1OC |
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| InChI Key | AOMXRUGEIZNYKE-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 ethersanisolesaryl chloridescarbonyl compoundscarboxylic acidschlorobenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesphenoxy compounds |
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| Substituents | phenol ethercarbonyl groupethercarboxylic acidorganochloridealkyl aryl ethercarboxylic acid derivativeorganohalogen compounddimethoxybenzeneorganic oxideo-dimethoxybenzenearyl chloridechlorobenzenearyl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisolehydrocarbon derivativehalobenzenephenoxy compoundorganooxygen compound |
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