| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:14 UTC |
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| Update Date | 2025-03-25 01:00:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02240662 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H18O4S |
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| Molecular Mass | 282.0926 |
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| SMILES | CC(C(=O)O)c1ccc(CC2CCS(=O)(=O)C2)cc1 |
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| InChI Key | ZJQXRIXBUWTWPR-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | phenylpropanoic acids |
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| Subclass | phenylpropanoic acids |
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| Direct Parent | phenylpropanoic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aromatic monoterpenoidsbenzene and substituted derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesmonocyclic monoterpenoidsorganic oxidessulfonesthiolanes |
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| Substituents | thiolanemonoterpenoidmonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidcarboxylic acidaromatic heteromonocyclic compoundp-cymenecarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compound2-phenylpropanoic-acidhydrocarbon derivativebenzenoidorganoheterocyclic compoundorganooxygen compoundaromatic monoterpenoidsulfone |
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