| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:37 UTC |
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| Update Date | 2025-03-25 00:45:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02150227 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H20NO13P |
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| Molecular Mass | 417.0672 |
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| SMILES | CC(=O)NC1C(OP(=O)(O)O)OC(C(=O)O)C(O)C(O)C1OC(C)C(=O)O |
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| InChI Key | NPVYPGKXCHZEOU-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | oxepanes |
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| Subclass | oxepanes |
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| Direct Parent | oxepanes |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsacetamidesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkyl ethersdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkyl phosphatesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | carbonyl groupethercarboxylic acidcarboxylic acid derivativedialkyl etherbeta-hydroxy acidorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundacetamide1,2-diolalcoholhydroxy acidcarboxamide groupoxepaneoxacyclesecondary carboxylic acid amideorganic oxygen compoundphosphoric acid estermonoalkyl phosphatesecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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