| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:42 UTC |
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| Update Date | 2025-03-25 00:46:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157331 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H10O7 |
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| Molecular Mass | 194.0427 |
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| SMILES | O=C1OC(CO)OC(O)C(O)C1O |
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| InChI Key | ITURXQUSQNSIQI-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 | dioxepanes |
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| Subclass | 1,3-dioxepanes |
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| Direct Parent | 1,3-dioxepanes |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | acetalscarbonyl compoundscarboxylic acid estershemiacetalshydrocarbon derivativeslactonesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsprimary alcoholssecondary alcohols |
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| Substituents | alcohol1,3-dioxepanecarbonyl groupcarboxylic acid derivativelactoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundacetalcarboxylic acid esteraliphatic heteromonocyclic compoundsecondary alcoholhemiacetalhydrocarbon derivativeprimary alcoholorganooxygen compound |
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