| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:42 UTC |
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| Update Date | 2025-03-25 00:56:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02221489 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16O5 |
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| Molecular Mass | 252.0998 |
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| SMILES | O=C(O)CCCCC1COc2cc(O)c(O)cc21 |
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| InChI Key | GGGPLEHJQNVEGL-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 | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersbenzenoidscarbonyl compoundscarboxylic acidscoumaransheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmonocarboxylic acids and derivativesorganic oxidesoxacyclic compounds |
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| Substituents | fatty acylcarbonyl groupethercarboxylic acidheterocyclic fatty acid1-hydroxy-2-unsubstituted benzenoidfatty acidalkyl aryl ethercarboxylic acid derivativemedium-chain hydroxy acidoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundhydrocarbon derivativemedium-chain fatty acidhydroxy fatty acidbenzenoidorganoheterocyclic compoundcoumaranorganooxygen compound |
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