| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:31:09 UTC |
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| Update Date | 2025-03-21 18:41:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00136686 |
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| Frequency | 18.3 |
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| Structure | |
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| Chemical Formula | C8H9BrO2 |
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| Molecular Mass | 215.9786 |
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| SMILES | COc1ccc(Br)cc1OC |
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| InChI Key | KBTMGSMZIKLAHN-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 bromidesbromobenzeneshydrocarbon derivativesorganobromidesphenoxy compounds |
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| Substituents | phenol etheretherbromobenzenealkyl aryl etherorganohalogen compoundaryl halidearomatic homomonocyclic compounddimethoxybenzeneorganic oxygen compoundanisoleo-dimethoxybenzeneorganobromidehydrocarbon derivativehalobenzenephenoxy compoundaryl bromideorganooxygen compound |
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