| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:09 UTC |
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| Update Date | 2025-03-25 01:01:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02249737 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H20O3 |
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| Molecular Mass | 272.1412 |
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| SMILES | Cc1cc(OCCCCCC(=O)O)c2ccccc2c1 |
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| InChI Key | ZJUFDZMQQKWLIG-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | naphthalenes |
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| Subclass | naphthalenes |
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| Direct Parent | naphthalenes |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | alkyl aryl etherscarbocyclic fatty acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocarboxylic acids and derivativesorganic oxidesphenol ethers |
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| Substituents | fatty acylcarbocyclic fatty acidphenol ethercarbonyl groupethercarboxylic acidfatty acidaromatic homopolycyclic compoundalkyl aryl ethercarboxylic acid derivativemedium-chain hydroxy acidorganic oxidemonocarboxylic acid or derivativesnaphthaleneorganic oxygen compoundhydrocarbon derivativemedium-chain fatty acidorganooxygen compound |
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