| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:10 UTC |
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| Update Date | 2025-03-21 18:33:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00096018 |
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| Frequency | 28.8 |
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| Structure | |
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| Chemical Formula | C10H12O2 |
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| Molecular Mass | 164.0837 |
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| SMILES | O=CCC(O)Cc1ccccc1 |
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| InChI Key | WDFUIOMPPFNTRI-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 | benzene and substituted derivatives |
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| Direct Parent | benzene and substituted derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha-hydrogen aldehydesbeta-hydroxy aldehydeshydrocarbon derivativesorganic oxidessecondary alcohols |
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| Substituents | alcoholmonocyclic benzene moietybeta-hydroxy aldehydecarbonyl groupaldehydearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundalpha-hydrogen aldehydesecondary alcoholhydrocarbon derivativeorganooxygen compound |
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