| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:44 UTC |
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| Update Date | 2025-03-25 00:56:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02221544 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H11BrO4 |
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| Molecular Mass | 285.9841 |
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| SMILES | O=C(O)CCCC(=O)Oc1ccc(Br)cc1 |
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| InChI Key | RDDRIDFUBKSIMF-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 | phenol esters |
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| Subclass | phenol esters |
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| Direct Parent | phenol esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aryl bromidesbromobenzenescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativesorganic oxidesorganobromidesphenoxy compounds |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidbromobenzenecarboxylic acid derivativeorganohalogen compoundaryl halidearomatic homomonocyclic compoundfatty acid esterorganic oxideorganic oxygen compoundcarboxylic acid esterphenol esterdicarboxylic acid or derivativesorganobromidehydrocarbon derivativehalobenzenephenoxy compoundaryl bromideorganooxygen compound |
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