| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:06:24 UTC |
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| Update Date | 2025-03-25 00:56:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02216120 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H21NO7 |
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| Molecular Mass | 315.1318 |
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| SMILES | CCCC=CCC(=C=O)NC1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | PAZOZFCBGQIQRW-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbohydrates and carbohydrate conjugates |
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| Direct Parent | n-glucuronides |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | amino acidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkylaminesglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholsynolates |
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| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acidmonosaccharidecarboxylic acid derivativepyran carboxylic acidn-glucuronidebeta-hydroxy acidorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundalcoholsecondary aliphatic aminepyran carboxylic acid or derivativeshydroxy acidsecondary amineoxacyclemonocarboxylic acid or derivativesynolatepyransecondary alcoholhydrocarbon derivativeorganic nitrogen compoundamine |
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