| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:57:26 UTC |
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| Update Date | 2025-03-25 01:15:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02333207 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C5H4O5 |
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| Molecular Mass | 144.0059 |
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| SMILES | O=C1OC2C(O)OC2C1=O |
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| InChI Key | NQBMALKETXLFDJ-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 | carboxylic acid estersfuranonesgamma butyrolactoneshemiacetalshydrocarbon derivativesketonesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxetanestetrahydrofurans |
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| Substituents | carbonyl grouptetrahydrofuran1,4-dioxepanecarboxylic acid derivativegamma butyrolactoneketonelactonealiphatic heteropolycyclic compoundoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteroxetanehemiacetalhydrocarbon derivative3-furanoneorganooxygen compound |
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