| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:48:47 UTC |
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| Update Date | 2025-03-21 18:01:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00035609 |
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| Frequency | 99.9 |
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| Structure | |
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| Chemical Formula | C13H20O13 |
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| Molecular Mass | 384.0904 |
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| SMILES | O=C(O)C1OC(OCC2OC(O)C(O)C(O)C2O)(C(=O)O)CC(O)C1O |
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| InChI Key | LOPZLVLMPXXLRF-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | pyrans |
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| Subclass | pyran carboxylic acids and derivatives |
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| Direct Parent | pyran carboxylic acids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | beta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshemiacetalshydrocarbon derivativesketalsmonosaccharidesorganic oxidesoxacyclic compoundsoxanessecondary alcohols |
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| Substituents | carbonyl groupcarboxylic acidmonosaccharidecarboxylic acid derivativebeta-hydroxy acidsaccharideorganic oxideacetalketalaliphatic heteromonocyclic compoundhemiacetaloxanealcoholpyran carboxylic acid or derivativeshydroxy acidoxacycleorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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