| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:18 UTC |
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| Update Date | 2025-03-25 00:59:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02238507 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H17NO6 |
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| Molecular Mass | 283.1056 |
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| SMILES | O=C(O)C1(O)CC(O)C(O)C(OCc2cccnc2)C1 |
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| InChI Key | WXRCPRSFUZBKHC-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 | alcohols and polyols |
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| Direct Parent | quinic acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativesazacyclic compoundscarbonyl compoundscarboxylic acidscyclohexanolsdialkyl ethersheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundstertiary alcohols |
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| Substituents | carbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundalpha-hydroxy acidcarboxylic acid derivativedialkyl etherorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazacycleheteroaromatic compoundhydroxypyridinecyclohexanolhydroxy acidtertiary alcoholmonocarboxylic acid or derivativespyridinesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundquinic acid |
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