| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:47:04 UTC |
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| Update Date | 2025-03-21 18:01:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00031487 |
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| Frequency | 116.9 |
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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(C)(CCCC(O)C(=O)O)O2 |
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| InChI Key | BZXBNUWYIBYABY-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 ethersalpha hydroxy acids and derivativesbenzenoidscarbonyl compoundscarboxylic acidsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundssecondary alcohols |
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| Substituents | fatty acylcarbonyl groupethercarboxylic acid1-benzopyranheterocyclic fatty acidalpha-hydroxy acidmonosaccharidefatty acidalkyl aryl ethercarboxylic acid derivativemedium-chain hydroxy acidsaccharideorganic oxidearomatic heteropolycyclic compoundmedium-chain fatty acidhydroxy fatty acidalcoholhydroxy acidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidorganooxygen compound |
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