| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:53 UTC |
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| Update Date | 2025-03-25 00:53:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02198693 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H20N2O6 |
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| Molecular Mass | 300.1321 |
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| SMILES | NC(CCn1c(CO)ccc1C(=O)O)CC(O)CC(=O)O |
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| InChI Key | YFAVSYOCDNKUBY-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 | delta amino acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amino fatty acidsaromatic alcoholsazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrole 2-carboxylic acidspyrrole carboxylic acids and derivativessecondary alcoholssubstituted pyrroles |
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| Substituents | aromatic alcoholfatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundheterocyclic fatty acidfatty acidsubstituted pyrrolemedium-chain hydroxy acidbeta-hydroxy acidorganic oxidepyrrole-2-carboxylic acidpyrrole-2-carboxylic acid or derivativesorganonitrogen compoundorganopnictogen compounddelta amino acid or derivativesmedium-chain fatty acidhydroxy fatty acidorganoheterocyclic compoundalcoholazacycleheteroaromatic compoundhydroxy acidamino fatty acidorganic oxygen compoundpyrrolesecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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