Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 14:51:50 UTC |
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Update Date | 2025-03-25 00:50:43 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID02182697 |
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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=CC1=C(O)C(C(O)CO)OC(=O)C1 |
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InChI Key | SOHOCTULXAHAJG-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-diolsaldehydescarboxylic acid estersdihydropyranoneshydrocarbon derivativeslactonesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsprimary alcoholssecondary alcoholsvinylogous acids |
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Substituents | alcoholcarbonyl grouppyran carboxylic acid or derivativesdihydropyranonealdehydecarboxylic acid derivativelactoneoxacyclevinylogous acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteraliphatic heteromonocyclic compoundpyranonesecondary alcoholhydrocarbon derivativeprimary alcoholorganooxygen compound1,2-diol |
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