| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:19:35 UTC |
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| Update Date | 2025-03-21 18:36:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00109348 |
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| Frequency | 24.5 |
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| Structure | |
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| Chemical Formula | C18H26O5 |
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| Molecular Mass | 322.178 |
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| SMILES | Cc1c(C)c2c(c(C)c1O)CCC(O)(CCCC(C)C(=O)O)O2 |
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| InChI Key | ZRJFYBXDRTTWJD-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 | benzenoidscarbonyl compoundscarboxylic acidshemiacetalsheterocyclic 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 groupcarboxylic acid1-benzopyranheterocyclic fatty acidfatty acidcarboxylic acid derivativemedium-chain hydroxy acidorganic oxidearomatic heteropolycyclic compoundhemiacetalmedium-chain fatty acidhydroxy fatty acidmethyl-branched fatty acidbranched fatty acidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganooxygen compound |
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