| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:24 UTC |
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| Update Date | 2025-03-21 18:36:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00111331 |
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| Frequency | 23.9 |
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| Structure | |
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| Chemical Formula | C17H24O5 |
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| Molecular Mass | 308.1624 |
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| SMILES | Cc1c(O)cc2c(c1C)OC(O)(CCCC(C)C(=O)O)CC2 |
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| InChI Key | YKVIDSWLWWSLKP-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 benzenoidsbenzenoidscarbonyl 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 acid1-hydroxy-2-unsubstituted benzenoidfatty 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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