| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 12:59:16 UTC |
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| Update Date | 2025-03-24 21:52:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01917806 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C7H10O3 |
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| Molecular Mass | 142.063 |
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| SMILES | O=C(O)C12CCCC1OC2 |
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| InChI Key | XJOVMAMTTADHCE-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 | carbonyl compoundscarboxylic acidsdialkyl ethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxetanes |
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| Substituents | carbonyl groupethercarboxylic acidcarboxylic acid derivativedialkyl etheraliphatic heteropolycyclic compoundoxepaneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundoxetanehydrocarbon derivativeorganooxygen compound |
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