| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:55 UTC |
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| Update Date | 2025-03-25 00:48:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02166888 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H22O4 |
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| Molecular Mass | 278.1518 |
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| SMILES | CC(C)(CC1CCC(CC(=O)O)O1)c1ccc(O)cc1 |
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| InChI Key | DUTRQYHKJRGNNG-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 heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidscarbonyl compoundscarboxylic acidsdialkyl ethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundstetrahydrofurans |
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| Substituents | carbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundtetrahydrofuran1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativedialkyl etherphenylpropaneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativeorganoheterocyclic compoundorganooxygen compound |
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