| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:42 UTC |
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| Update Date | 2025-03-25 00:57:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02225951 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H20N2O7 |
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| Molecular Mass | 292.1271 |
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| SMILES | CC(=O)NCCCNCC1(O)OC(C(=O)O)C(O)C1O |
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| InChI Key | CRWFBJJUPCTPQR-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-diolsacetamidesamino acidscarbonyl compoundscarboxylic acidsdialkylamineshemiacetalshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundssecondary alcoholssecondary carboxylic acid amidestetrahydrofurans |
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| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acidmonosaccharidecarboxylic acid derivativebeta-hydroxy acidsaccharideorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhemiacetalorganoheterocyclic compoundacetamide1,2-diolalcoholsecondary aliphatic aminetetrahydrofuransecondary aminecarboxamide groupoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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