| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:57:30 UTC |
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| Update Date | 2025-03-25 00:52:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02195490 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H21NO5 |
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| Molecular Mass | 307.142 |
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| SMILES | CC1OC(Oc2ccc(C(=O)NCC(=O)O)cc2)C(C)C1C |
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| InChI Key | MKXFFTGJEMAUER-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 | acyl glycines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetalsalpha amino acidsbenzoyl derivativescarbonyl compoundscarboxylic acidshippuric acids and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsphenol ethersphenoxy compoundssecondary carboxylic acid amidestetrahydrofurans |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundbenzoylbenzamideorganic oxideacetalorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundtetrahydrofuranhippuric acid or derivativesbenzoic acid or derivativescarboxamide groupn-acylglycineoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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