| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:18:16 UTC |
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| Update Date | 2025-03-25 01:00:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02243039 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H20N2O4 |
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| Molecular Mass | 316.1423 |
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| SMILES | C=CC1=C(C)C(=O)NC1=Cc1c(C)oc(CC(N)C(=O)O)c1C |
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| InChI Key | JNWJABOYKDIRCM-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 | azacyclic compoundscarbonyl compoundscarboxylic acidsfuransheteroaromatic compoundshydrocarbon derivativeslactamsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspyrrolinessecondary carboxylic acid amides |
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| Substituents | furancarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazacycleheteroaromatic compoundcarboxamide groupoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolinehydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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