| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:00:43 UTC |
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| Update Date | 2025-03-21 18:06:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00063871 |
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| Frequency | 66.7 |
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| Structure | |
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| Chemical Formula | C18H25NO5 |
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| Molecular Mass | 335.1733 |
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| SMILES | Cc1c(C)c2c(c(C)c1O)CCC(C)(CCC(=O)NCC(=O)O)O2 |
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| InChI Key | HDDPCBCSAGMCPO-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 heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyransalkyl aryl ethersalpha amino acidsbenzenoidscarbonyl compoundscarboxylic acidsfatty amideshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylcarbonyl groupethercarboxylic acid1-benzopyranfatty amidealkyl aryl etherorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundchromaneorganoheterocyclic compoundbenzopyrancarboxamide groupn-acylglycineoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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