| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:40 UTC |
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| Update Date | 2025-03-25 00:49:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02175430 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H16O4 |
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| Molecular Mass | 284.1049 |
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| SMILES | Cc1cc(O)cc2c1CC(C)(C(=O)c1ccc(O)cc1)O2 |
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| InChI Key | SHWLBUUSSXOUMT-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | alkyl-phenylketones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersaryl alkyl ketonesbenzoyl derivativescoumaranshydrocarbon derivativesorganic oxidesoxacyclic compounds |
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| Substituents | monocyclic benzene moietyetheraryl alkyl ketonebenzoyl1-hydroxy-2-unsubstituted benzenoidalkyl aryl etheroxacycleorganic oxidearomatic heteropolycyclic compoundphenolhydrocarbon derivativebenzenoidalkyl-phenylketoneorganoheterocyclic compoundcoumaran |
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