| 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 | DMID02180617 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H29NO6 |
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| Molecular Mass | 379.1995 |
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| SMILES | Cc1c(C)c2c(c(C)c1O)CCC(C)(CCCC(O)C(=O)NCC(=O)O)O2 |
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| InChI Key | JJZWMCMWZMPUGY-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 acidshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | fatty acylcarbonyl groupethercarboxylic acid1-benzopyranfatty amidemonosaccharidealkyl aryl ethersaccharideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundchromaneorganoheterocyclic compoundalcoholbenzopyrancarboxamide groupn-acyl-aminen-acylglycineoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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