Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-20 23:50:00 UTC |
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Update Date | 2025-03-21 18:02:31 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00038582 |
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Frequency | 90.7 |
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Structure | |
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Chemical Formula | C13H20O12 |
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Molecular Mass | 368.0955 |
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SMILES | CC1OC(OC2(C(=O)O)CC(O)C(O)C(C(=O)O)O2)C(O)C(O)C1O |
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InChI Key | PBZMAGUNXAGQJW-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 derivativeshydrocarbon derivativesketalsmonosaccharidesorganic oxidesoxacyclic compoundsoxanessecondary alcohols |
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Substituents | alcoholcarbonyl groupcarboxylic acidpyran carboxylic acid or derivativesmonosaccharidehydroxy acidcarboxylic acid derivativeoxacyclebeta-hydroxy acidsaccharideorganic oxideorganic oxygen compoundacetalketalaliphatic heteromonocyclic compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeoxaneorganooxygen compound |
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