| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:07 UTC |
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| Update Date | 2025-03-25 00:59:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02238086 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H13NO8 |
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| Molecular Mass | 275.0641 |
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| SMILES | O=C(O)CN=C(O)CC1=C(O)C(=O)OC1C(O)CO |
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| InChI Key | YHEINMVBDDEZQP-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 | alpha amino acids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsbutenolidescarbonyl compoundscarboximidic acidscarboxylic acidsdicarboxylic acids and derivativesdihydrofuransenoate estershydrocarbon derivativeslactonesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary alcoholspropargyl-type 1,3-dipolar organic compoundssecondary alcohols |
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| Substituents | carboximidic acidcarbonyl groupcarboxylic acidpropargyl-type 1,3-dipolar organic compoundlactonealpha,beta-unsaturated carboxylic ester2-furanoneorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundprimary alcoholorganoheterocyclic compound1,2-dioldihydrofuranenoate esteralcoholorganic 1,3-dipolar compoundoxacycleorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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