| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:55 UTC |
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| Update Date | 2025-03-25 00:47:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162256 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H12O7 |
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| Molecular Mass | 232.0583 |
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| SMILES | O=C(O)CC1(C(=O)O)C=CC(C(O)CO)O1 |
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| InChI Key | XYGNTFBIJSDHKU-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | dicarboxylic acids and derivatives |
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| Direct Parent | dicarboxylic acids and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolscarbonyl compoundscarboxylic acidsdialkyl ethersdihydrofuranshydrocarbon derivativesorganic oxidesoxacyclic compoundsprimary alcoholssecondary alcohols |
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| Substituents | alcoholcarbonyl groupethercarboxylic aciddialkyl etheroxacycleorganic oxideorganic oxygen compoundaliphatic heteromonocyclic compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeprimary alcoholorganoheterocyclic compoundorganooxygen compound1,2-dioldihydrofuran |
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