| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:57:36 UTC |
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| Update Date | 2025-03-21 18:05:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00056450 |
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| Frequency | 56.4 |
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| Structure | |
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| Chemical Formula | C13H18O2 |
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| Molecular Mass | 206.1307 |
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| SMILES | CC(=O)OC(c1ccccc1)C(C)(C)C |
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| InChI Key | VJVZXIHYIFMCDA-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 | benzyloxycarbonyls |
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| Direct Parent | benzyloxycarbonyls |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenylpropanes |
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| Substituents | benzyloxycarbonylcarbonyl groupcarboxylic acid derivativephenylpropanearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganooxygen compound |
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