| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:07 UTC |
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| Update Date | 2025-03-25 00:50:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183309 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H20O9 |
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| Molecular Mass | 320.1107 |
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| SMILES | O=C1CC(O)CC(CCC2OC(O)(C(=O)O)CC(O)C2O)O1 |
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| InChI Key | VBMFBVFKXCXOBP-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 | c-glucuronides |
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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 derivativeshemiacetalshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidssecondary alcohols |
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| Substituents | carbonyl groupcarboxylic aciddelta valerolactonealpha-hydroxy acidmonosaccharidecarboxylic acid derivativepyran carboxylic acidlactoneorganic oxidealiphatic heteromonocyclic compoundhemiacetaloxanedelta_valerolactoneorganoheterocyclic compoundc-glucuronidealcoholpyran carboxylic acid or derivativeshydroxy acidoxacyclepyrancarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivative |
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