| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:17 UTC |
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| Update Date | 2025-03-25 00:46:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02156455 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H28O6 |
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| Molecular Mass | 364.1886 |
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| SMILES | Cc1c(C)c2c(c(C)c1O)CCC(C)(CCC(CCC(=O)O)C(=O)O)O2 |
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| InChI Key | IDSSANSDZJKEMN-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 | alkyl aryl ethersbenzenoidsbranched fatty acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesorganic oxidesoxacyclic compounds |
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| Substituents | fatty acylcarbonyl groupethercarboxylic acid1-benzopyranheterocyclic fatty acidfatty acidalkyl aryl ethercarboxylic acid derivativemedium-chain hydroxy acidorganic oxidearomatic heteropolycyclic compoundmedium-chain fatty acidhydroxy fatty acidbranched fatty acidoxacycleorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganooxygen compound |
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