| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:40 UTC |
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| Update Date | 2025-03-21 18:34:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00102151 |
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| Frequency | 26.7 |
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| Structure | |
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| Chemical Formula | C10H11IO4 |
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| Molecular Mass | 321.9702 |
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| SMILES | COc1cc(CC(=O)O)cc(I)c1OC |
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| InChI Key | YZXBHUBHUQLSHC-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 iodidescarbonyl compoundscarboxylic acidshydrocarbon derivativesiodobenzenesmonocarboxylic acids and derivativesorganic oxidesorganoiodidesphenoxy compounds |
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| Substituents | phenol ethercarbonyl groupethercarboxylic acidalkyl aryl ethercarboxylic acid derivativeorganohalogen compoundiodobenzeneorganoiodidedimethoxybenzeneorganic oxideo-dimethoxybenzenearyl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisolehydrocarbon derivativearyl iodidehalobenzenephenoxy compoundorganooxygen compound |
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