| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:27 UTC |
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| Update Date | 2025-03-21 18:38:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00118721 |
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| Frequency | 22.0 |
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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 | NCc1[nH]cc(CCC(O)C(=O)O)c1CC(=O)O |
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| InChI Key | GISGPEKNYHYERA-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 | dicarboxylic acids and derivatives |
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| Direct Parent | dicarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary alcohols |
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| Substituents | alcoholcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundazacyclealpha-hydroxy acidheteroaromatic compoundmonosaccharidehydroxy acidsaccharideorganic oxideorganic oxygen compoundpyrroleorganonitrogen compoundsecondary alcoholdicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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