| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:33:57 UTC |
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| Update Date | 2025-03-25 00:44:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02141677 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C95H175NO27P2 |
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| Molecular Mass | 1824.1827 |
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| SMILES | CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)OC1C(NC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)C(OC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)C(OP(=O)(O)O)C(COC2(C(=O)O)OC(C(=O)O)C(O)C2O)C1OP(=O)(O)O |
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| InChI Key | XRNSMSVWUNTZEV-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 | hydroxy acids and derivatives |
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| Subclass | beta hydroxy acids and derivatives |
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| Direct Parent | beta hydroxy acids and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolscarbonyl compoundscarboxylic acid esterscarboxylic acidscyclitols and derivativesfatty acid estershydrocarbon derivativesketalsmonoalkyl phosphatesmonosaccharidesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary alcoholssecondary carboxylic acid amidestetrahydrofurans |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidfatty amidemonosaccharidecarboxylic acid derivativebeta-hydroxy acidsaccharideorganic oxideacetalketalaliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compound1,2-diolalcoholtetrahydrofurancyclitol or derivativescarboxamide groupn-acyl-amineoxacyclesecondary carboxylic acid amidefatty acid esterorganic oxygen compoundphosphoric acid estermonoalkyl phosphatecarboxylic acid estersecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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