| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:13:37 UTC |
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| Update Date | 2025-03-21 18:33:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00094655 |
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| Frequency | 29.4 |
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| Structure | |
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| Chemical Formula | C17H24O4 |
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| Molecular Mass | 292.1675 |
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| SMILES | Cc1c(C)c2c(c(C)c1O)CCC(C)(CCC(=O)O)CO2 |
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| InChI Key | MJHDEIWHCFFHDS-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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