| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:23 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 | DMID02161020 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H17NO9 |
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| Molecular Mass | 307.0903 |
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| SMILES | NC1C(C(O)C(O)CO)OC(C(=O)O)=CC1(O)CC(=O)O |
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| InChI Key | PJUGXDIYBDYXKT-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 | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | gamma amino acids and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary alcoholssecondary alcoholstertiary alcohols |
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| Substituents | alcoholcarbonyl groupcarboxylic acidgamma amino acid or derivativesoxacycletertiary alcoholorganic oxideorganic oxygen compoundaliphatic heteromonocyclic compoundorganonitrogen compoundsecondary alcoholdicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundprimary alcoholorganoheterocyclic compoundorganooxygen compound |
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