| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:06:40 UTC |
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| Update Date | 2025-03-21 18:29:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00078181 |
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| Frequency | 37.5 |
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| Structure | |
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| Chemical Formula | C13H11BrO2 |
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| Molecular Mass | 277.9942 |
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| SMILES | CC(C(=O)O)c1ccc2cc(Br)ccc2c1 |
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| InChI Key | DOWJETDHXZKRIT-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 | naphthalenes |
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| Direct Parent | naphthalenes |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | aryl bromidescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganobromides |
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| Substituents | carbonyl groupcarboxylic acidaromatic homopolycyclic compoundcarboxylic acid derivativeorganohalogen compoundaryl halideorganic oxidemonocarboxylic acid or derivativesnaphthaleneorganic oxygen compoundorganobromidehydrocarbon derivativearyl bromideorganooxygen compound |
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