| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:34 UTC |
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| Update Date | 2025-03-25 00:48:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02168319 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H35NO7 |
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| Molecular Mass | 425.2414 |
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| SMILES | CC(CCC(=O)NCC(=O)O)C1CCC2C3CCC(O)(C(=O)O)C3(C)C(O)CC12C |
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| InChI Key | QRZZGRQRVLPCTE-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 | aliphatic homopolycyclic compounds |
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| Alternative Parents | alpha amino acidsalpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidscyclic alcohols and derivativesdicarboxylic acids and derivativeshydrocarbon derivativesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amidessesquiterpenoidstertiary alcohols |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidalpha-hydroxy acidfatty amidealiphatic homopolycyclic compoundorganic oxidesesquiterpenoidorganonitrogen compoundalpha-amino acidorganopnictogen compoundalcoholhydroxy acidcyclic alcoholcarboxamide groupn-acyl-aminen-acylglycinesecondary carboxylic acid amidetertiary alcoholorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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