| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:35 UTC |
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| Update Date | 2025-03-21 18:03:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00044769 |
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| Frequency | 75.5 |
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| Structure | |
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| Chemical Formula | C6H10O5 |
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| Molecular Mass | 162.0528 |
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| SMILES | OC1OC2COC(OC2)C1O |
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| InChI Key | ZBKQGSPCEKRPNM-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 | 1,4-dioxepanes |
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| Direct Parent | 1,4-dioxepanes |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | 1,3-dioxanesacetalshemiacetalshydrocarbon derivativesoxacyclic compoundssecondary alcohols |
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| Substituents | alcohol1,4-dioxepanealiphatic heteropolycyclic compoundoxacycleorganic oxygen compoundacetalsecondary alcoholhemiacetalhydrocarbon derivativemeta-dioxaneorganooxygen compound |
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