| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:33 UTC |
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| Update Date | 2025-03-25 00:51:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02188892 |
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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 | CC(O)CCCC(=O)OCc1ccccc1 |
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| InChI Key | VQLHTFJPOABUAL-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 estersfatty acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcohols |
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| Substituents | benzyloxycarbonylalcoholfatty acylcarbonyl groupcarboxylic acid derivativearomatic homomonocyclic compoundfatty acid esterorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholhydrocarbon derivativeorganooxygen compound |
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