| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:56 UTC |
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| Update Date | 2025-03-21 18:03:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00045604 |
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| Frequency | 73.7 |
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| Structure | |
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| Chemical Formula | C13H16O2 |
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| Molecular Mass | 204.115 |
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| SMILES | CC(=O)c1cc2c(cc1C)OCC2(C)C |
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| InChI Key | IBOALLXDCZJKLH-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 | benzene and substituted derivatives |
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| Subclass | acetophenones |
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| Direct Parent | acetophenones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersaryl alkyl ketonesbenzenoidscoumaranshydrocarbon derivativesorganic oxidesoxacyclic compounds |
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| Substituents | etheraryl alkyl ketonealkyl aryl etherketoneoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundacetophenonehydrocarbon derivativeorganoheterocyclic compoundcoumaranorganooxygen compoundaryl ketone |
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