| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:13 UTC |
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| Update Date | 2025-03-25 00:57:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02224924 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H23N3O4 |
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| Molecular Mass | 297.1689 |
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| SMILES | NCCCCNCc1[nH]cc(CCC(=O)O)c1CC(=O)O |
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| InChI Key | XMWOKGLXBMMQOI-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 | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesorganic oxidesorganopnictogen compoundspyrroles |
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| Substituents | secondary aliphatic aminecarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundazacycleamino acid or derivativesamino acidheteroaromatic compoundsecondary amineorganic oxideorganic oxygen compoundpyrroleorganonitrogen compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compoundamine |
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