| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:44 UTC |
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| Update Date | 2025-03-25 01:01:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02248785 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H18O4 |
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| Molecular Mass | 298.1205 |
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| SMILES | COc1ccc(C(O)(c2ccccc2)C2CCC(=O)O2)cc1 |
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| InChI Key | IKYCJQUNTQKRRH-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 | benzene and substituted derivatives |
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| Subclass | diphenylmethanes |
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| Direct Parent | diphenylmethanes |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolesaromatic alcoholscarbonyl compoundscarboxylic acid estersgamma butyrolactoneshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsphenoxy compoundstertiary alcoholstetrahydrofurans |
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| Substituents | aromatic alcoholdiphenylmethanephenol ethercarbonyl groupetheraromatic heteromonocyclic compoundalkyl aryl ethercarboxylic acid derivativelactoneorganic oxideorganoheterocyclic compoundalcoholtetrahydrofuranmethoxybenzenegamma butyrolactoneoxacycletertiary alcoholmonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid esterhydrocarbon derivativephenoxy compoundorganooxygen compound |
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