| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:40 UTC |
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| Update Date | 2025-03-25 00:47:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02159459 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H10O3 |
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| Molecular Mass | 178.063 |
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| SMILES | O=CCCC(=O)Oc1ccccc1 |
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| InChI Key | QXTLQADUMJZAKD-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 | phenol esters |
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| Subclass | phenol esters |
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| Direct Parent | phenol esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha-hydrogen aldehydescarboxylic acid estersfatty acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenoxy compounds |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupaldehydecarboxylic acid derivativearomatic homomonocyclic compoundfatty acid esterorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundalpha-hydrogen aldehydecarboxylic acid esterphenol esterhydrocarbon derivativephenoxy compoundorganooxygen compound |
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