| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:53 UTC |
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| Update Date | 2025-03-25 00:46:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157758 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16O4 |
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| Molecular Mass | 236.1049 |
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| SMILES | O=C(O)CCCCC1(O)OCc2ccccc21 |
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| InChI Key | WGXSRBHPQMPINP-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | hydroxy acids and derivatives |
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| Subclass | medium-chain hydroxy acids and derivatives |
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| Direct Parent | medium-chain hydroxy acids and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | benzenoidscarbonyl compoundscarboxylic acidshemiacetalsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsisocoumaransmedium-chain fatty acidsmonocarboxylic acids and derivativesorganic oxidesoxacyclic compounds |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidheterocyclic fatty acidfatty acidcarboxylic acid derivativemedium-chain hydroxy acidoxacycleorganic oxidemonocarboxylic acid or derivativesisocoumaranorganic oxygen compoundaromatic heteropolycyclic compoundhemiacetalhydrocarbon derivativemedium-chain fatty acidhydroxy fatty acidbenzenoidorganoheterocyclic compoundorganooxygen compound |
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