| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:49 UTC |
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| Update Date | 2025-03-25 00:57:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02226205 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H15NO5 |
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| Molecular Mass | 241.095 |
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| SMILES | CC(O)(CCn1c(C=O)ccc1CO)C(=O)O |
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| InChI Key | OHNJZWOYFHGMQI-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 | carbonyl compounds |
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| Direct Parent | aryl-aldehydes |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativesaromatic alcoholsazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssubstituted pyrrolestertiary alcohols |
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| Substituents | aromatic alcoholcarboxylic acidaromatic heteromonocyclic compoundalpha-hydroxy acidsubstituted pyrrolecarboxylic acid derivativeorganic oxidearyl-aldehydeorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundalcoholazacycleheteroaromatic compoundhydroxy acidtertiary alcoholmonocarboxylic acid or derivativespyrrolehydrocarbon derivativeorganic nitrogen compound |
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