| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:35:54 UTC |
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| Update Date | 2025-03-21 17:57:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00005907 |
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| Frequency | 889.4 |
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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 | Cc1c(C)c2c(c(C)c1O)CCC(C)(CCCC(=O)O)O2 |
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| InChI Key | PWAPBQXGFMNGJJ-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 ethersbenzenoidscarbonyl compoundscarboxylic acidsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compounds |
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| Substituents | fatty acylcarbonyl groupethercarboxylic acid1-benzopyranheterocyclic fatty acidfatty acidalkyl aryl ethercarboxylic acid derivativemedium-chain hydroxy acidoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundhydrocarbon derivativemedium-chain fatty acidhydroxy fatty acidbenzenoidorganooxygen compound |
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