| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:02 UTC |
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| Update Date | 2025-03-25 00:59:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02240164 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H16N2O5 |
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| Molecular Mass | 256.1059 |
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| SMILES | NC(CCCn1ccc(C(=O)O)c1CO)C(=O)O |
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| InChI Key | UTHJNWQNOAAGKD-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 alcoholsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrole carboxylic acidssubstituted pyrrolesvinylogous amides |
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| Substituents | aromatic alcoholcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpyrrole-3-carboxylic acid or derivativessubstituted pyrroleorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundalcoholvinylogous amideazacycleheteroaromatic compoundorganic oxygen compoundpyrroledicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundpyrrole-3-carboxylic acidorganooxygen compound |
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