| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:13:09 UTC |
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| Update Date | 2025-03-25 00:58:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02231330 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H14O3 |
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| Molecular Mass | 170.0943 |
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| SMILES | CC1CCC2OC1CC2C(=O)O |
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| InChI Key | OGRPFAHMCHRIHD-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 | oxanes |
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| Subclass | oxanes |
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| Direct Parent | oxanes |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsdialkyl ethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundstetrahydrofurans |
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| Substituents | carbonyl groupethercarboxylic acidtetrahydrofurancarboxylic acid derivativedialkyl etheraliphatic heteropolycyclic compoundoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeoxaneorganooxygen compound |
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