| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:57:16 UTC |
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| Update Date | 2025-03-25 00:52:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02194945 |
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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 | CCCCCc1ccc(O)c(C(=O)OC)c1 |
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| InChI Key | QFMQNXNSIBMYGE-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 | benzoic acids and derivatives |
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| Direct Parent | o-hydroxybenzoic acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsbenzoyl derivativeshydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundssalicylic acid and derivativesvinylogous acids |
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| Substituents | benzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativearomatic homomonocyclic compoundvinylogous acidorganic oxidemonocarboxylic acid or derivativesmethyl esterorganic oxygen compoundsalicylic acid or derivativeso-hydroxybenzoic acid estercarboxylic acid esterphenolhydrocarbon derivativeorganooxygen compound |
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