| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:55:47 UTC |
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| Update Date | 2025-03-25 00:52:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02191623 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H15NO8 |
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| Molecular Mass | 277.0798 |
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| SMILES | CC(=O)NC1C(O)CC(=O)OC1C(O)C(O)C(=O)O |
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| InChI Key | CJTIHEXBXMOYIX-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 | lactones |
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| Subclass | delta valerolactones |
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| Direct Parent | delta valerolactones |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | acetamidesalpha hydroxy acids and derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanessecondary alcoholssecondary carboxylic acid amides |
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| Substituents | carbonyl groupcarboxylic aciddelta valerolactonealpha-hydroxy acidmonosaccharidecarboxylic acid derivativebeta-hydroxy acidsaccharideorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundoxanedelta_valerolactoneacetamidealcoholhydroxy acidcarboxamide groupoxacyclesecondary carboxylic acid amideorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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