| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:10 UTC |
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| Update Date | 2025-03-25 00:53:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201626 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H19NO4 |
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| Molecular Mass | 277.1314 |
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| SMILES | Cc1c(C)c2c(c(C)c1O)CC(=NCC(=O)O)C(C)O2 |
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| InChI Key | NCYSDRGOSPTEDB-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 heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyransalkyl aryl ethersbenzenoidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundspropargyl-type 1,3-dipolar organic compoundssecondary ketimines |
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| Substituents | ketiminecarbonyl groupethercarboxylic acid1-benzopyraniminealkyl aryl etherpropargyl-type 1,3-dipolar organic compoundsecondary ketimineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundchromaneorganoheterocyclic compoundbenzopyranorganic 1,3-dipolar compoundoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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