| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:21 UTC |
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| Update Date | 2025-03-25 00:47:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02160964 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H19NO8 |
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| Molecular Mass | 305.1111 |
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| SMILES | NC1C(O)CC(O)(C(=O)O)CC1OC(=O)CCCC(=O)O |
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| InChI Key | HUTZILVWWGNRLV-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 | aliphatic homomonocyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidscyclohexanolsdelta amino acids and derivativesfatty acid estershydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundstertiary alcoholstricarboxylic acids and derivatives |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidalpha-hydroxy acidtricarboxylic acid or derivativescarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compounddelta amino acid or derivativescyclohexanolhydroxy acidfatty acid estertertiary alcoholcarboxylic acid estersecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundquinic acid |
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