| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:51:27 UTC |
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| Update Date | 2025-03-21 18:03:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00041985 |
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| Frequency | 81.6 |
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| Structure | |
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| Chemical Formula | C7H8O7 |
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| Molecular Mass | 204.027 |
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| SMILES | O=C1OC(C(O)CO)C(O)=C(O)C1=O |
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| InChI Key | VLXIFEHXVZYWSA-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 | pyranones and derivatives |
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| Direct Parent | dihydropyranones |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolscarboxylic acid esterscyclic ketoneshydrocarbon derivativeslactonesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsprimary alcoholssecondary alcoholsvinylogous acids |
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| Substituents | alcoholcarbonyl groupdihydropyranonecyclic ketonecarboxylic acid derivativeketonelactoneoxacyclevinylogous acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteraliphatic heteromonocyclic compoundsecondary alcoholhydrocarbon derivativeprimary alcoholorganooxygen compound1,2-diol |
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