| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:44 UTC |
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| Update Date | 2025-03-25 00:50:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02182490 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H20N2O6 |
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| Molecular Mass | 312.1321 |
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| SMILES | O=Cc1ccc(CO)n1CCCC(O)CC(O)=NCC(=O)O |
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| InChI Key | DVOVMXUVKQNRKD-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 alcoholsaryl-aldehydesazacyclic compoundscarboximidic acidscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary alcoholssubstituted pyrroles |
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| Substituents | aromatic alcoholcarboximidic acidcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundsubstituted pyrrolepropargyl-type 1,3-dipolar organic compoundorganic oxidearyl-aldehydeorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundalcoholazacycleheteroaromatic compoundaldehydeorganic 1,3-dipolar compoundmonocarboxylic acid or derivativesorganic oxygen compoundpyrrolesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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