| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:49 UTC |
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| Update Date | 2025-03-25 00:49:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02175763 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H11NO8 |
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| Molecular Mass | 261.0485 |
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| SMILES | NC(C(=O)O)C(=O)C1=C(O)C(=O)OC1C(O)CO |
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| InChI Key | JHEMOLUXTGFJJC-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-diols1,3-dicarbonyl compoundsbeta-hydroxy ketonesbeta-keto acids and derivativesbutenolidescarboxylic acidsdicarboxylic acids and derivativesdihydrofuransenoate estershydrocarbon derivativeslactonesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary alcoholssecondary alcoholsvinylogous acids |
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| Substituents | beta-hydroxy ketonecarbonyl groupcarboxylic acidbeta-keto acidketonelactonealpha,beta-unsaturated carboxylic ester2-furanoneorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundprimary alcoholorganoheterocyclic compound1,2-dioldihydrofuranenoate esteralcoholoxacyclevinylogous acidorganic oxygen compoundketo acidcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compound1,3-dicarbonyl compoundorganooxygen compound |
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