| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:59:25 UTC |
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| Update Date | 2025-03-21 18:06:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00060802 |
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| Frequency | 51.4 |
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| Structure | |
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| Chemical Formula | C15H22O2 |
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| Molecular Mass | 234.162 |
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| SMILES | Cc1c(C)c2c(c(C)c1O)CCCC(C)(C)O2 |
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| InChI Key | ZMLVWTPLXVMWRX-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 | benzoxepines |
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| Subclass | benzoxepines |
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| Direct Parent | benzoxepines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersbenzenoidshydrocarbon derivativesoxacyclic compounds |
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| Substituents | oxacycleetherorganic oxygen compoundaromatic heteropolycyclic compoundbenzoxepinehydrocarbon derivativebenzenoidalkyl aryl etherorganooxygen compound |
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