| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:18:59 UTC |
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| Update Date | 2025-03-25 01:00:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02244724 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H18O4 |
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| Molecular Mass | 262.1205 |
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| SMILES | CCCCCC(=Cc1ccc2c(c1)OCO2)C(=O)O |
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| InChI Key | WRMAUVQGCFTSSQ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | benzodioxoles |
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| Subclass | benzodioxoles |
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| Direct Parent | benzodioxoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | acetalsbenzenoidsbranched fatty acidscarbonyl compoundscarboxylic acidsheterocyclic fatty acidshydrocarbon derivativesmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsunsaturated fatty acids |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidheterocyclic fatty acidfatty acidcarboxylic acid derivativebranched fatty acidmedium-chain hydroxy acidoxacycleunsaturated fatty acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundacetalaromatic heteropolycyclic compoundhydrocarbon derivativemedium-chain fatty acidbenzenoidorganooxygen compoundbenzodioxole |
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