| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:40 UTC |
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| Update Date | 2025-03-21 18:41:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00133347 |
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| Frequency | 18.9 |
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| Structure | |
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| Chemical Formula | C11H14O3 |
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| Molecular Mass | 194.0943 |
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| SMILES | COC(=O)C(c1ccccc1)C(C)O |
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| InChI Key | DLRCQTBFWKWOEC-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 | beta hydroxy acids and derivativescarbonyl compoundsfatty acid estershydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxidessecondary alcohols |
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| Substituents | alcoholfatty acylcarbonyl grouphydroxy acidcarboxylic acid derivativephenylpropanearomatic homomonocyclic compoundfatty acid esterbeta-hydroxy acidorganic oxidemonocarboxylic acid or derivativesmethyl esterorganic oxygen compoundcarboxylic acid estersecondary alcoholhydrocarbon derivativeorganooxygen compound |
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