| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:49 UTC |
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| Update Date | 2025-03-25 00:59:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02235204 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H18O3 |
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| Molecular Mass | 222.1256 |
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| SMILES | COC(=O)CC(C)(C)c1ccc(OC)cc1 |
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| InChI Key | SHAIAIAOCNHGGQ-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 | phenylpropanes |
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| Direct Parent | phenylpropanes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolescarbonyl compoundsfatty acid methyl estershydrocarbon derivativesmethoxybenzenesmethyl estersmonocarboxylic acids and derivativesorganic oxidesphenoxy compounds |
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| Substituents | fatty acylphenol ethercarbonyl groupetheralkyl aryl ethercarboxylic acid derivativemethoxybenzenephenylpropanearomatic homomonocyclic compoundfatty acid esterorganic oxidemonocarboxylic acid or derivativesfatty acid methyl estermethyl esterorganic oxygen compoundanisolecarboxylic acid esterhydrocarbon derivativephenoxy compoundorganooxygen compound |
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