| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:21 UTC |
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| Update Date | 2025-03-25 00:46:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154338 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H12Br2O4 |
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| Molecular Mass | 425.9102 |
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| SMILES | COc1cc(C=CC(=O)O)ccc1Oc1ccc(Br)cc1Br |
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| InChI Key | ZMTAHIAUDMPDRI-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 | bromodiphenyl ethers |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolesaryl bromidesbromobenzenescarbonyl compoundscarboxylic acidscinnamic acids and derivativesdiarylethershydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesorganobromidesphenoxy compounds |
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| Substituents | diaryl etherphenol ethercarbonyl groupethercarboxylic acidbromodiphenyl etheralkyl aryl ethercarboxylic acid derivativeorganohalogen compoundcinnamic acid or derivativesorganic oxidebromobenzenemethoxybenzenearyl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisoleorganobromidehydrocarbon derivativehalobenzenephenoxy compoundaryl bromideorganooxygen compound |
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