| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:52 UTC |
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| Update Date | 2025-03-25 00:59:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02235338 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H20O3 |
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| Molecular Mass | 248.1412 |
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| SMILES | Cc1ccc2c(c1)COC2(C)CCCCC(=O)O |
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| InChI Key | BBKDSKSMKDGXPG-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 acidsdialkyl ethersheterocyclic fatty acidshydrocarbon derivativesisocoumaransmedium-chain fatty acidsmonocarboxylic acids and derivativesorganic oxidesoxacyclic compounds |
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| Substituents | fatty acylcarbonyl groupethercarboxylic acidheterocyclic fatty acidfatty acidcarboxylic acid derivativemedium-chain hydroxy aciddialkyl etheroxacycleorganic oxidemonocarboxylic acid or derivativesisocoumaranorganic oxygen compoundaromatic heteropolycyclic compoundhydrocarbon derivativemedium-chain fatty acidbenzenoidorganoheterocyclic compoundorganooxygen compound |
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