| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:41 UTC |
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| Update Date | 2025-03-21 18:39:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00123883 |
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| Frequency | 20.8 |
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| Structure | |
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| Chemical Formula | C11H7BrO2 |
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| Molecular Mass | 249.9629 |
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| SMILES | CC1=CC(=O)c2ccc(Br)cc2C1=O |
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| InChI Key | KOPJJFBPLKMLOV-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 | naphthalenes |
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| Subclass | naphthoquinones |
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| Direct Parent | naphthoquinones |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | aryl bromidesaryl ketoneshydrocarbon derivativesorganic oxidesorganobromidesorganooxygen compoundsquinones |
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| Substituents | aromatic homopolycyclic compoundorganohalogen compoundaryl halideketoneorganic oxideorganic oxygen compoundorganobromidehydrocarbon derivativearyl bromidenaphthoquinoneorganooxygen compoundaryl ketonequinone |
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