| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:32 UTC |
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| Update Date | 2025-03-25 01:01:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02250623 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H10O6 |
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| Molecular Mass | 202.0477 |
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| SMILES | O=C1CC=C(C(=O)O)C(C(O)CO)O1 |
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| InChI Key | VLWUAQGUJIARIH-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 | 1,2-diolscarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesdihydropyranoneshydrocarbon derivativeslactonesorganic oxidesoxacyclic compoundsprimary alcoholssecondary alcohols |
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| Substituents | alcoholcarbonyl groupcarboxylic acidpyran carboxylic acid or derivativesdihydropyranonecarboxylic acid derivativelactoneoxacycleorganic oxideorganic oxygen compoundcarboxylic acid esteraliphatic heteromonocyclic compoundpyranonesecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeprimary alcoholorganooxygen compound1,2-diol |
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