| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:14 UTC |
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| Update Date | 2025-03-25 00:45:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02149327 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H14O6 |
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| Molecular Mass | 218.079 |
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| SMILES | C=CC1C(O)CC(O)(C(=O)O)OC1CO |
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| InChI Key | IWQOTYZXOFDFGC-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 | alpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidshemiacetalshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxanesprimary alcoholssecondary alcohols |
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| Substituents | alcoholcarbonyl groupcarboxylic acidpyran carboxylic acid or derivativesalpha-hydroxy acidhydroxy acidcarboxylic acid derivativeoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaliphatic heteromonocyclic compoundsecondary alcoholhemiacetalhydrocarbon derivativeoxaneprimary alcoholorganooxygen compound |
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