| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:57 UTC |
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| Update Date | 2025-03-25 00:48:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02166967 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H18O4 |
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| Molecular Mass | 262.1205 |
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| SMILES | CC(=O)c1cc2c(cc1C)COC2(C)CCC(=O)O |
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| InChI Key | UKYJNRVBRQZUNL-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 | aryl alkyl ketonesbenzenoidscarboxylic acidsdialkyl ethershydrocarbon derivativesisocoumaransmonocarboxylic acids and derivativesorganic oxidesoxacyclic compounds |
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| Substituents | carbonyl groupethercarboxylic acidaryl alkyl ketonecarboxylic acid derivativedialkyl etherketoneoxacycleorganic oxidemonocarboxylic acid or derivativesisocoumaranorganic oxygen compoundaromatic heteropolycyclic compoundacetophenonehydrocarbon derivativeorganoheterocyclic compoundorganooxygen compoundaryl ketone |
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