| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:43:41 UTC |
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| Update Date | 2025-03-21 17:59:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00023547 |
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| Frequency | 166.9 |
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| Structure | |
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| Chemical Formula | C14H20O3 |
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| Molecular Mass | 236.1412 |
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| SMILES | Cc1c(C)c2c(c(C)c1O)CCC(C)(CO)O2 |
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| InChI Key | PKYWXDRQTMJSJK-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 | alcohols and polyolsalkyl aryl ethersbenzenoidshydrocarbon derivativesoxacyclic compounds |
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| Substituents | alcoholether1-benzopyranalkyl aryl etheroxacycleorganic oxygen compoundaromatic heteropolycyclic compoundhydrocarbon derivativebenzenoidorganooxygen compound |
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