| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:03 UTC |
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| Update Date | 2025-03-21 18:35:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00105549 |
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| Frequency | 25.6 |
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| Structure | |
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| Chemical Formula | C8H12O7 |
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| Molecular Mass | 220.0583 |
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| SMILES | O=C(O)CCC1OC(=O)C(O)C(O)C1O |
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| InChI Key | BCQAKCMKUCIRCN-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 | gluconolactones |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acid esterscarboxylic acidsdelta valerolactonesdicarboxylic acids and derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanessecondary alcohols |
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| Substituents | alcoholcarbonyl groupcarboxylic aciddelta valerolactonecarboxylic acid derivativelactoneoxacycleorganic oxidegluconolactonecarboxylic acid esteraliphatic heteromonocyclic compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeoxanedelta_valerolactoneorganoheterocyclic compound |
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