| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:03 UTC |
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| Update Date | 2025-03-25 00:47:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162547 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H9NO4 |
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| Molecular Mass | 171.0532 |
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| SMILES | O=C(O)CC(O)Cc1cnco1 |
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| InChI Key | QPUZRBNQEKGMOM-UHFFFAOYSA-N |
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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 | azacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxazolessecondary alcohols |
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| Substituents | alcoholcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundazacycleheteroaromatic compoundoxazolecarboxylic acid derivativeoxacyclebeta-hydroxy acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compoundazole |
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