| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:34 UTC |
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| Update Date | 2025-03-25 01:01:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02252932 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H10O8 |
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| Molecular Mass | 222.0376 |
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| SMILES | O=C(O)C1(O)C2OC(O2)C(O)C(O)C1O |
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| InChI Key | PBEBXJBQKCMPKB-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 | oxepanes |
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| Subclass | oxepanes |
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| Direct Parent | oxepanes |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdioxetaneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundssecondary alcoholstertiary alcohols |
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| Substituents | alcoholcarbonyl groupcarboxylic acidalpha-hydroxy acidhydroxy acidcarboxylic acid derivative1,3-dioxetanealiphatic heteropolycyclic compoundoxepaneoxacyclebeta-hydroxy acidtertiary alcoholorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganooxygen compound |
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