Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:23:26 UTC |
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Update Date | 2025-03-21 18:38:03 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00118695 |
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Frequency | 22.0 |
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Structure | |
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Chemical Formula | C17H24O4 |
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Molecular Mass | 292.1675 |
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SMILES | Cc1cc(O)cc2c1OC(C)(CCCC(C)C(=O)O)CC2 |
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InChI Key | JSPGTQCNOMWKMN-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 | benzopyrans |
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Subclass | 1-benzopyrans |
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Direct Parent | 1-benzopyrans |
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Geometric Descriptor | aromatic heteropolycyclic compounds |
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Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersbenzenoidscarbonyl compoundscarboxylic acidsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmethyl-branched fatty acidsmonocarboxylic acids and derivativesorganic oxidesoxacyclic compounds |
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Substituents | fatty acylcarbonyl groupethercarboxylic acid1-benzopyranheterocyclic fatty acid1-hydroxy-2-unsubstituted benzenoidfatty acidalkyl aryl ethercarboxylic acid derivativemedium-chain hydroxy acidorganic oxidearomatic heteropolycyclic compoundmedium-chain fatty acidhydroxy fatty acidmethyl-branched fatty acidbranched fatty acidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganooxygen compound |
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