| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:35:06 UTC |
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| Update Date | 2025-03-21 17:56:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00004097 |
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| Frequency | 1388.0 |
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| Structure | |
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| Chemical Formula | C8H8O2 |
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| Molecular Mass | 136.0524 |
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| SMILES | O=CC(O)c1ccccc1 |
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| InChI Key | JCISRQNKHZNVHJ-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 | alpha-hydroxyaldehydesaromatic alcoholshydrocarbon derivativesorganic oxidessecondary alcohols |
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| Substituents | aromatic alcoholalcoholcarbonyl groupaldehydearomatic homomonocyclic compoundorganic oxidealpha-hydroxyaldehydeorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganooxygen compoundphenylacetaldehyde |
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