| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:49 UTC |
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| Update Date | 2025-03-25 00:53:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02198521 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H14NO5+ |
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| Molecular Mass | 240.0866 |
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| SMILES | O=C(O)C1(O)CC([n+]2ccc(O)cc2)CC1O |
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| InChI Key | AXZWHUIBXJLLCR-UHFFFAOYSA-O |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | hydroxy acids and derivatives |
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| Subclass | beta hydroxy acids and derivatives |
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| Direct Parent | beta hydroxy acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsalpha hydroxy acids and derivativesazacyclic compoundscarbonyl compoundscarboxylic acidscyclic alcohols and derivativescyclopentanolsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundstertiary alcohols |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundalpha-hydroxy acidcarboxylic acid derivativebeta-hydroxy acidorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationorganoheterocyclic compound1,2-diolalcoholazacycleheteroaromatic compoundhydroxypyridinecyclic alcoholcyclopentanoltertiary alcoholmonocarboxylic acid or derivativespyridineorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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