| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:51 UTC |
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| Update Date | 2025-03-21 18:40:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00129100 |
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| Frequency | 19.7 |
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| Structure | |
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| Chemical Formula | C8H9NO3 |
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| Molecular Mass | 167.0582 |
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| SMILES | CC(Oc1cccnc1)C(=O)O |
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| InChI Key | ZREDEAUTHWGQBB-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 | ethers |
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| Direct Parent | alkyl aryl ethers |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundazacycleheteroaromatic compoundhydroxypyridinemethylpyridinealkyl aryl ethercarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativespyridineorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compound |
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