| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:50 UTC |
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| Update Date | 2025-03-25 00:46:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157650 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H14O8 |
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| Molecular Mass | 262.0689 |
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| SMILES | O=C(O)CCC1OC(C(O)CO)C(O)=C(O)C1=O |
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| InChI Key | KGOGHWDLBFUNCD-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 acidscyclic ketonesdialkyl ethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsprimary alcoholssecondary alcoholsvinylogous acids |
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| Substituents | alcoholcarbonyl groupethercarboxylic aciddihydropyranonecyclic ketonecarboxylic acid derivativedialkyl etherketoneoxacyclevinylogous acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaliphatic heteromonocyclic compoundsecondary alcoholhydrocarbon derivativeprimary alcoholorganooxygen compound1,2-diol |
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