| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:54:14 UTC |
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| Update Date | 2025-03-21 18:04:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00048707 |
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| Frequency | 67.9 |
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| Structure | |
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| Chemical Formula | C7H10O8 |
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| Molecular Mass | 222.0376 |
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| SMILES | O=C1OC(C(O)C(=O)O)C(O)C(O)C1O |
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| InChI Key | NTKLWOCSVVSCJW-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 | alpha hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdelta valerolactonesdicarboxylic acids and derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanessecondary alcohols |
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| Substituents | alcoholcarbonyl groupcarboxylic aciddelta valerolactonealpha-hydroxy acidhydroxy acidcarboxylic acid derivativelactoneoxacycleorganic oxidegluconolactonecarboxylic acid esteraliphatic heteromonocyclic compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeoxanedelta_valerolactoneorganoheterocyclic compound |
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