| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:35 UTC |
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| Update Date | 2025-03-25 00:53:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200321 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H17NO4 |
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| Molecular Mass | 287.1158 |
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| SMILES | Cc1ncc(COc2ccc(CC(=O)O)cc2)c(C)c1O |
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| InChI Key | AIQDECMFXCQVBO-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 | phenol ethers |
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| Subclass | phenol ethers |
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| Direct Parent | phenol ethers |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesalkyl aryl ethersazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundspolyhalopyridines |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundpolyhalopyridinealkyl aryl ethercarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compound2-halopyridineorganoheterocyclic compoundazacycleheteroaromatic compoundhydroxypyridinemonocarboxylic acid or derivativespyridineorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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