| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:50:53 UTC |
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| Update Date | 2025-03-21 18:02:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00040631 |
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| Frequency | 84.9 |
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| Structure | |
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| Chemical Formula | C18H27NO4 |
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| Molecular Mass | 321.194 |
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| SMILES | Cc1c(C)c2c(c(C)c1O)CCC(C)(CCCC(N)C(=O)O)O2 |
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| InChI Key | VMQXCWINQBTQGL-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 ethersamino fatty acidsbenzenoidscarbonyl compoundscarboxylic acidsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compounds |
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| Substituents | fatty acylcarbonyl groupethercarboxylic acid1-benzopyranheterocyclic fatty acidfatty acidalkyl aryl ethermedium-chain hydroxy acidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundchromanemedium-chain fatty acidhydroxy fatty acidorganoheterocyclic compoundbenzopyranamino fatty acidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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