| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:56 UTC |
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| Update Date | 2025-03-25 00:59:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02235496 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H11BrO4 |
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| Molecular Mass | 273.9841 |
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| SMILES | COc1cc(CC(=O)O)cc(OC)c1Br |
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| InChI Key | UBFDUWADFLWCST-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 bromidesbromobenzenescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganobromidesphenoxy compounds |
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| Substituents | phenol ethercarbonyl groupethercarboxylic acidalkyl aryl ethercarboxylic acid derivativeorganohalogen compounddimethoxybenzeneorganic oxidebromobenzenearyl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundm-dimethoxybenzeneanisoleorganobromidehydrocarbon derivativehalobenzenephenoxy compoundaryl bromideorganooxygen compound |
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