| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:52 UTC |
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| Update Date | 2025-03-25 00:50:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180513 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H16O3 |
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| Molecular Mass | 208.1099 |
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| SMILES | COc1ccc(C2(C)COCCO2)cc1 |
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| InChI Key | NTUQMUVIVMZFTR-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | phenol ethers |
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| Subclass | anisoles |
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| Direct Parent | anisoles |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,4-dioxanesalkyl aryl ethersdialkyl ethershydrocarbon derivativesmethoxybenzenesoxacyclic compoundsphenoxy compounds |
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| Substituents | monocyclic benzene moietyetheraromatic heteromonocyclic compoundalkyl aryl ethermethoxybenzenedialkyl etheroxacycleorganic oxygen compoundanisolepara-dioxanehydrocarbon derivativephenoxy compoundorganoheterocyclic compoundorganooxygen compound |
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