| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:30 UTC |
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| Update Date | 2025-03-21 18:39:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00125857 |
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| Frequency | 20.4 |
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| Structure | |
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| Chemical Formula | C16H16O3 |
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| Molecular Mass | 256.1099 |
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| SMILES | COc1ccc2ccc(CC3CCC(=O)O3)cc2c1 |
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| InChI Key | NCPGTURHZXCFCG-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 | naphthalenes |
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| Subclass | naphthalenes |
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| Direct Parent | naphthalenes |
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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 derivativesnaphthaleneorganic oxygen compoundaromatic heteropolycyclic compoundanisolecarboxylic acid esterhydrocarbon derivativeorganoheterocyclic compoundorganooxygen compound |
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