| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 06:44:23 UTC |
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| Update Date | 2025-03-24 17:56:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01020756 |
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| Frequency | 1.4 |
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| Structure | |
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| Chemical Formula | C5H6O3 |
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| Molecular Mass | 114.0317 |
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| SMILES | O=C1CC2OC2CO1 |
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| InChI Key | LZHSBGCWYODVNL-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 | carbonyl compoundscarboxylic acid estersdelta valerolactonesdialkyl ethersepoxideshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxanes |
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| Substituents | carbonyl groupetherdelta valerolactone1,4-dioxepaneoxiranecarboxylic acid derivativedialkyl etherlactonealiphatic heteropolycyclic compoundoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeoxanedelta_valerolactoneorganooxygen compound |
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