| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:36:28 UTC |
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| Update Date | 2025-03-21 17:57:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00007216 |
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| Frequency | 704.0 |
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| Structure | |
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| Chemical Formula | C10H12O3 |
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| Molecular Mass | 180.0786 |
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| SMILES | COC(=O)C(O)Cc1ccccc1 |
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| InChI Key | NMPPJJIBQQCOOI-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acid esters |
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| Direct Parent | fatty acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | benzene and substituted derivativescarbonyl compoundshydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxidessecondary alcohols |
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| Substituents | alcoholmonocyclic benzene moietycarbonyl groupcarboxylic acid derivativearomatic homomonocyclic compoundfatty acid esterorganic oxidemonocarboxylic acid or derivativesmethyl esterorganic oxygen compoundcarboxylic acid estersecondary alcoholhydrocarbon derivativebenzenoidorganooxygen compound |
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