| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:31 UTC |
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| Update Date | 2025-03-25 00:57:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02223359 |
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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(Cc1ccc(C(O)C(=O)O)o1)C(=O)O |
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| InChI Key | QPAFRSCNRNRHFN-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acids and conjugates |
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| Direct Parent | furanoid fatty acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsalpha hydroxy acids and derivativesaromatic alcoholscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesfatty acylsfuransheteroaromatic compoundshydrocarbon derivativeshydroxy fatty acidsmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary alcohols |
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| Substituents | aromatic alcoholfurancarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundalpha-hydroxy acidalpha-amino acid or derivativescarboxylic acid derivativeorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidorganoheterocyclic compoundfuranoid fatty acidalcoholheteroaromatic compoundhydroxy acidoxacycleorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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