| 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 | DMID02168324 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C33H53NO12 |
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| Molecular Mass | 655.3568 |
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| SMILES | CC(CCC(=O)NCC(=O)O)C1CCC2C3CC(OC4OC(C(=O)O)C(O)C(O)C4O)CC4CC(O)CCC4(C)C3CC(O)C12C |
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| InChI Key | OLRMMKFEQMZOCU-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 heteropolycyclic compounds |
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| Alternative Parents | acetalsalpha amino acidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidscyclic alcohols and derivativesdicarboxylic acids and derivativesglucuronic acid derivativeshydrocarbon derivativesmonosaccharidesn-acyl amineso-glucuronidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidglucuronic acid or derivativesfatty amideo-glucuronidemonosaccharidepyran carboxylic acid1-o-glucuronidealiphatic heteropolycyclic compoundbeta-hydroxy acidsaccharideorganic oxideacetalorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acidcyclic alcoholcarboxamide groupn-acyl-aminen-acylglycineoxacyclesecondary carboxylic acid amideorganic oxygen compoundpyransecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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