| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:15 UTC |
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| Update Date | 2025-03-21 18:33:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00096209 |
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| Frequency | 28.8 |
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| Structure | |
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| Chemical Formula | C30H47NO9S |
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| Molecular Mass | 597.2972 |
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| SMILES | CCCCCC=CCC=CC=CC=CC(SCC(C(=O)NCC(=O)O)C(O)CCCC(=O)O)C(O)CCCC(=O)O |
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| InChI Key | OBESLGFVLUDBNF-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 acyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amidessulfenyl compoundstricarboxylic acids and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty amidetricarboxylic acid or derivativesorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalcoholsulfenyl compounddialkylthioethercarboxamide groupn-acyl-aminen-acylglycinesecondary carboxylic acid amideorganic oxygen compoundthioethersecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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