| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:15 UTC |
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| Update Date | 2025-03-25 00:56:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220473 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H12O5 |
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| Molecular Mass | 176.0685 |
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| SMILES | COC1C(O)C(=O)OC(C)C1O |
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| InChI Key | MIPZSWKDXNHEKQ-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 estersdelta valerolactonesdialkyl ethershydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanessecondary alcohols |
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| Substituents | alcoholcarbonyl groupetherdelta valerolactonecarboxylic acid derivativedialkyl etherlactoneoxacycleorganic oxidemonocarboxylic acid or derivativesgluconolactonecarboxylic acid esteraliphatic heteromonocyclic compoundsecondary alcoholhydrocarbon derivativeoxanedelta_valerolactoneorganoheterocyclic compound |
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