| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:13 UTC |
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| Update Date | 2025-03-25 00:50:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183522 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H7I3O5 |
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| Molecular Mass | 623.7428 |
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| SMILES | O=C(O)c1cc(O)cc(I)c1Oc1cc(I)c(O)c(I)c1 |
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| InChI Key | DEBREVXHLWGJNI-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 homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoids3-halobenzoic acidsaryl iodidesbenzoic acidsbenzoyl derivativesdiarylethershalobenzoic acidshalophenolshydrocarbon derivativeshydroxybenzoic acid derivativesiodobenzenesm-iodophenolsmonocarboxylic acids and derivativeso-iodophenolsorganic oxidesorganoiodidesphenol ethersphenoxy compounds |
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| Substituents | diaryl etherphenol etherethercarboxylic acid3-halobenzoic acid or derivativesbenzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganohalogen compoundiodobenzeneorganoiodideorganic oxide3-halobenzoic acid1-carboxy-2-haloaromatic compoundbenzoic acid3-halophenolhalobenzoic acid2-iodophenolbenzoic acid or derivativeshalobenzoic acid or derivativesaryl halidehydroxybenzoic acidaromatic homomonocyclic compound2-halophenolmonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativearyl iodidehalobenzenephenoxy compound3-iodophenoldiphenyletherorganooxygen compound |
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