| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:44 UTC |
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| Update Date | 2025-03-21 18:38:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00121742 |
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| Frequency | 21.3 |
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| Structure | |
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| Chemical Formula | C14H18O6 |
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| Molecular Mass | 282.1103 |
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| SMILES | COCOc1cc(CC2CCC(=O)O2)cc(OC)c1O |
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| InChI Key | TUIFSDIUUKKNMG-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 | phenols |
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| Subclass | methoxyphenols |
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| Direct Parent | methoxyphenols |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetalsalkyl aryl ethersanisolescarbonyl compoundscarboxylic acid estersgamma butyrolactoneshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsphenoxy compoundstetrahydrofurans |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetheraromatic heteromonocyclic compoundmethoxyphenolalkyl aryl ethercarboxylic acid derivativelactoneorganic oxideacetalorganoheterocyclic compoundtetrahydrofuranmethoxybenzenegamma butyrolactoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid esterhydrocarbon derivativephenoxy compoundorganooxygen compound |
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