| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:13:11 UTC |
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| Update Date | 2025-03-25 00:58:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02231417 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H23NO6 |
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| Molecular Mass | 337.1525 |
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| SMILES | CC1C(Oc2ccc(C(N)C(=O)O)cc2)OC(C(=O)O)C(C)C1C |
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| InChI Key | LWPFCLLDCHERTL-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 | acetalscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acids |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpyran carboxylic acidorganic oxideacetalorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxaneorganoheterocyclic compoundpyran carboxylic acid or derivativesoxacycleorganic oxygen compoundpyrandicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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