| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:42 UTC |
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| Update Date | 2025-03-25 00:57:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02223797 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H11NO6 |
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| Molecular Mass | 229.0586 |
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| SMILES | NC(CC(O)c1ccc(C(=O)O)o1)C(=O)O |
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| InChI Key | DGZKKWPEBIBWOK-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 | aromatic heteromonocyclic compounds |
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| Alternative Parents | aromatic alcoholscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesfuroic acidsheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary alcohols |
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| Substituents | aromatic alcoholfurancarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundalcoholfuroic acid or derivativesheteroaromatic compoundfuroic acidoxacycleorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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