| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 08:51:51 UTC |
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| Update Date | 2025-03-25 00:26:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01327698 |
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| Frequency | 1.0 |
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| Structure | |
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| Chemical Formula | C6H7NO3 |
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| Molecular Mass | 141.0426 |
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| SMILES | O=Cc1c(CO)c[nH]c1O |
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| InChI Key | JEIXPSDNQNOLDL-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 | aryl-aldehydes |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aromatic alcoholsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolesvinylogous acidsvinylogous amides |
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| Substituents | aromatic alcoholalcoholvinylogous amidearomatic heteromonocyclic compoundazacycleheteroaromatic compoundvinylogous acidorganic oxidearyl-aldehydepyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compound |
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