| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:40 UTC |
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| Update Date | 2025-03-25 00:46:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02155056 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16O3 |
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| Molecular Mass | 220.1099 |
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| SMILES | Cc1ccc(C(C)CC(=O)C(=O)O)cc1C |
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| InChI Key | NSOUMXWDZLSSTO-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 | prenol lipids |
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| Subclass | monoterpenoids |
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| Direct Parent | aromatic monoterpenoids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha-hydroxy ketonesalpha-keto acids and derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesmonocyclic monoterpenoidsorganic oxideso-xylenes |
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| Substituents | monocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidcarboxylic acidp-cymenealpha-hydroxy ketonecarboxylic acid derivativeketonearomatic homomonocyclic compoundxyleneorganic oxidemonocarboxylic acid or derivativeso-xyleneorganic oxygen compoundketo acidalpha-keto acidhydrocarbon derivativebenzenoidorganooxygen compoundaromatic monoterpenoid |
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