| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:16 UTC |
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| Update Date | 2025-03-25 00:54:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02208743 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H18O7 |
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| Molecular Mass | 274.1053 |
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| SMILES | CC(C(=O)O)C(=O)OC1CC(C)C(C)C(C(=O)O)O1 |
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| InChI Key | FXXITKWNAFCGDG-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 | 1,3-dicarbonyl compoundsacetalscarboxylic acid esterscarboxylic acidshydrocarbon derivativesorganic oxidesoxacyclic compoundsoxanestricarboxylic acids and derivatives |
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| Substituents | carbonyl groupcarboxylic acidpyran carboxylic acid or derivativestricarboxylic acid or derivativescarboxylic acid derivativeoxacycleorganic oxideorganic oxygen compoundacetalcarboxylic acid esteraliphatic heteromonocyclic compoundhydrocarbon derivative1,3-dicarbonyl compoundoxaneorganooxygen compound |
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