| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:57 UTC |
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| Update Date | 2025-03-25 00:46:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153371 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H17IO4 |
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| Molecular Mass | 424.0172 |
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| SMILES | COc1ccc(Oc2ccc(CC3CCC(=O)O3)cc2I)cc1 |
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| InChI Key | RJPSHNLXRPKXNP-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 | diphenylethers |
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| Direct Parent | diphenylethers |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolesaryl iodidescarbonyl compoundscarboxylic acid estersdiarylethersgamma butyrolactoneshydrocarbon derivativesiodobenzenesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesorganoiodidesoxacyclic compoundsphenoxy compoundstetrahydrofurans |
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| Substituents | diaryl etherphenol ethercarbonyl groupetheraromatic heteromonocyclic compoundalkyl aryl ethercarboxylic acid derivativeorganohalogen compoundiodobenzeneorganoiodidelactoneorganic oxideorganoheterocyclic compoundtetrahydrofuranmethoxybenzenegamma butyrolactonearyl halideoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid esterhydrocarbon derivativearyl iodidehalobenzenephenoxy compounddiphenyletherorganooxygen compound |
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