| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 08:32:34 UTC |
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| Update Date | 2025-03-25 00:19:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01282144 |
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| Frequency | 1.0 |
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| Structure | |
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| Chemical Formula | C7H8O3 |
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| Molecular Mass | 140.0473 |
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| SMILES | O=CCC(O)c1ccco1 |
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| InChI Key | OTEXFSBYNLLBJM-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | beta-hydroxy aldehydes |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha-hydrogen aldehydesaromatic alcoholsfuransheteroaromatic compoundshydrocarbon derivativesorganic oxidesoxacyclic compoundssecondary alcohols |
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| Substituents | aromatic alcoholalcoholfuranbeta-hydroxy aldehydearomatic heteromonocyclic compoundheteroaromatic compoundoxacycleorganic oxidealpha-hydrogen aldehydesecondary alcoholhydrocarbon derivativeorganoheterocyclic compound |
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