| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:53 UTC |
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| Update Date | 2025-03-21 18:41:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00136067 |
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| Frequency | 18.4 |
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| Structure | |
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| Chemical Formula | C7H10O7 |
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| Molecular Mass | 206.0427 |
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| SMILES | O=C(O)C1OC(O)(C(=O)O)CCC1O |
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| InChI Key | IPSMTSMVAJRDRG-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 derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshemiacetalshydrocarbon derivativesorganic oxidesoxacyclic compoundsoxanessecondary alcohols |
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| Substituents | alcoholcarbonyl groupcarboxylic acidpyran carboxylic acid or derivativesalpha-hydroxy acidhydroxy acidcarboxylic acid derivativeoxacyclebeta-hydroxy acidorganic oxideorganic oxygen compoundaliphatic heteromonocyclic compoundsecondary alcoholdicarboxylic acid or derivativeshemiacetalhydrocarbon derivativeoxaneorganooxygen compound |
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