| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:36:06 UTC |
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| Update Date | 2025-03-21 17:57:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00006360 |
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| Frequency | 812.9 |
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| Structure | |
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| Chemical Formula | C15H22O4 |
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| Molecular Mass | 266.1518 |
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| SMILES | CCC(CCC(C)O)COC(=O)c1ccccc1O |
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| InChI Key | GBHBFLJCRCERFT-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 benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzoyl derivativescarboxylic acid estersfatty alcoholshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessalicylic acid and derivativessecondary alcoholsvinylogous acids |
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| Substituents | alcoholfatty acylbenzoyl1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativearomatic homomonocyclic compoundvinylogous acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsalicylic acid or derivativeso-hydroxybenzoic acid esterfatty alcoholcarboxylic acid estersecondary alcoholphenolhydrocarbon derivativeorganooxygen compound |
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