| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:55 UTC |
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| Update Date | 2025-03-25 00:50:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180613 |
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| Frequency | 0.5 |
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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)(CCCNCC(=O)O)O2 |
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| InChI Key | WMQRLMAFHPXAEW-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 acidsbenzenoidscarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compounds |
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| Substituents | carbonyl groupethercarboxylic acid1-benzopyranamino acidalkyl aryl etherorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundchromaneorganoheterocyclic compoundsecondary aliphatic aminebenzopyransecondary amineoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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