| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:58:52 UTC |
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| Update Date | 2025-03-21 18:05:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00059473 |
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| Frequency | 52.9 |
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| Structure | |
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| Chemical Formula | C7H8O5 |
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| Molecular Mass | 172.0372 |
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| SMILES | O=C1C=COC(C(O)CO)C1=O |
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| InChI Key | WJSSHULFTHZKKN-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-diolscyclic ketoneshydrocarbon derivativesorganic oxidesoxacyclic compoundsprimary alcoholssecondary alcoholsvinylogous esters |
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| Substituents | alcoholcarbonyl groupdihydropyranonevinylogous estercyclic ketoneketoneoxacycleorganic oxideorganic oxygen compoundaliphatic heteromonocyclic compoundsecondary alcoholhydrocarbon derivativeprimary alcoholorganooxygen compound1,2-diol |
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