| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:29 UTC |
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| Update Date | 2025-03-25 00:54:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02204665 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H18O13 |
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| Molecular Mass | 382.0747 |
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| SMILES | O=C1OC(COC2(C(=O)O)CC(O)C(O)C(C(=O)O)O2)C(O)C(O)C1O |
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| InChI Key | RWNYGSSHBNYOAL-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 | beta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdelta valerolactoneshydrocarbon derivativesketalsmonosaccharidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholstricarboxylic acids and derivatives |
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| Substituents | carbonyl groupcarboxylic aciddelta valerolactonetricarboxylic acid or derivativescarboxylic acid derivativepyran carboxylic acidlactonebeta-hydroxy acidorganic oxidegluconolactoneacetalketalaliphatic heteromonocyclic compoundoxanedelta_valerolactoneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acidoxacyclepyrancarboxylic acid estersecondary alcoholhydrocarbon derivative |
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