| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:36 UTC |
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| Update Date | 2025-03-25 00:47:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02163802 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H18O3 |
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| Molecular Mass | 234.1256 |
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| SMILES | CC1(CCC(=O)O)CCCc2ccccc2O1 |
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| InChI Key | XCBKTCJTYYGZOF-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 | benzoxepines |
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| Subclass | benzoxepines |
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| Direct Parent | benzoxepines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersbenzenoidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compounds |
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| Substituents | carbonyl groupethercarboxylic acidbenzoxepinealkyl aryl ethercarboxylic acid derivativeoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundhydrocarbon derivativebenzenoidorganooxygen compound |
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