| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:12:44 UTC |
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| Update Date | 2025-03-25 00:58:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02230383 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H12O7 |
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| Molecular Mass | 220.0583 |
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| SMILES | CCOC1OC(C(=O)O)C(O)C(=O)C1O |
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| InChI Key | MQQRFMZOBHCJMV-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 | acetalsbeta hydroxy acids and derivativescarboxylic acidscyclic ketoneshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanessecondary alcohols |
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| Substituents | carbonyl groupcarboxylic acidmonosaccharidecyclic ketonecarboxylic acid derivativeketonebeta-hydroxy acidsaccharideorganic oxideacetalaliphatic heteromonocyclic compoundoxanealcoholpyran carboxylic acid or derivativeshydroxy acidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganooxygen compound |
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