| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:04:38 UTC |
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| Update Date | 2025-03-21 18:28:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00073282 |
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| Frequency | 40.7 |
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| Structure | |
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| Chemical Formula | C14H18N2O5 |
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| Molecular Mass | 294.1216 |
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| SMILES | NC(CCCCn1c(C=O)ccc1C=CC(=O)O)C(=O)O |
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| InChI Key | SEWGFVLWXNQLMO-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 | amino fatty acidsaryl-aldehydesazacyclic compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativesmedium-chain fatty acidsmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssubstituted pyrrolesunsaturated fatty acids |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundheterocyclic fatty acidfatty acidsubstituted pyrroleunsaturated fatty acidorganic oxidearyl-aldehydeorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidorganoheterocyclic compoundazacycleheteroaromatic compoundaldehydeamino fatty acidorganic oxygen compoundpyrroledicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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