| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:05 UTC |
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| Update Date | 2025-03-25 01:01:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02247339 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H14O4 |
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| Molecular Mass | 234.0892 |
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| SMILES | O=C(O)CCCCC(=O)C(=O)c1ccccc1 |
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| InChI Key | QRNRGKWFTVHUID-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 | butyrophenones |
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| Direct Parent | butyrophenones |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha-diketonesaryl ketonesbenzoyl derivativescarbocyclic fatty acidscarboxylic acidshydrocarbon derivativesmedium-chain fatty acidsmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | fatty acylcarbocyclic fatty acidcarbonyl groupcarboxylic acidbenzoylfatty acidcarboxylic acid derivativealpha-diketoneketonebutyrophenonearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativemedium-chain fatty acidorganooxygen compoundaryl ketone |
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