| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:14 UTC |
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| Update Date | 2025-03-21 18:39:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00125192 |
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| Frequency | 20.5 |
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| Structure | |
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| Chemical Formula | C8H8O4 |
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| Molecular Mass | 168.0423 |
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| SMILES | O=CCc1cc(O)c(O)cc1O |
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| InChI Key | TYJXFHUYMRMOEJ-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 | phenylacetaldehydes |
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| Direct Parent | phenylacetaldehydes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha-hydrogen aldehydeshydrocarbon derivativesorganic oxides |
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| Substituents | carbonyl group1-hydroxy-2-unsubstituted benzenoidaldehydearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundalpha-hydrogen aldehydephenolhydrocarbon derivativeorganooxygen compoundphenylacetaldehyde |
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