| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:34 UTC |
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| Update Date | 2025-03-21 18:41:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00135346 |
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| Frequency | 18.5 |
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| Structure | |
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| Chemical Formula | C9H10O8 |
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| Molecular Mass | 246.0376 |
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| SMILES | O=C(O)CC1(C(=O)O)C=CC(O)C(C(=O)O)O1 |
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| InChI Key | ZNZAWHMRYXZOIX-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 acidsdialkyl ethershydrocarbon derivativesorganic oxidesoxacyclic compoundssecondary alcoholstricarboxylic acids and derivatives |
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| Substituents | alcoholcarbonyl groupethercarboxylic acidpyran carboxylic acid or derivativestricarboxylic acid or derivativeshydroxy acidcarboxylic acid derivativedialkyl etheroxacyclebeta-hydroxy acidorganic oxideorganic oxygen compoundaliphatic heteromonocyclic compoundsecondary alcoholhydrocarbon derivativeorganooxygen compound |
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