| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:59 UTC |
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| Update Date | 2025-03-25 00:46:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153458 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H16O3 |
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| Molecular Mass | 232.1099 |
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| SMILES | COc1ccc2c(c1)CCC2C1CCC(=O)O1 |
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| InChI Key | ABMYBRSQGSNBOR-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | indanes |
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| Subclass | indanes |
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| Direct Parent | indanes |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolescarbonyl compoundscarboxylic acid estersgamma butyrolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundstetrahydrofurans |
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| Substituents | phenol ethercarbonyl groupethertetrahydrofuranalkyl aryl ethercarboxylic acid derivativegamma butyrolactonelactoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundanisoleindanecarboxylic acid esterhydrocarbon derivativeorganoheterocyclic compoundorganooxygen compound |
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