| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:11:24 UTC |
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| Update Date | 2025-03-21 18:32:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00089339 |
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| Frequency | 31.6 |
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| Structure | |
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| Chemical Formula | C13H12O2 |
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| Molecular Mass | 200.0837 |
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| SMILES | CCC1=C(C)C(=O)c2ccccc2C1=O |
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| InChI Key | QWIBLPIAYFAQQQ-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 | naphthalenes |
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| Subclass | naphthoquinones |
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| Direct Parent | naphthoquinones |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | aryl ketoneshydrocarbon derivativesorganic oxidesorganooxygen compoundsquinones |
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| Substituents | ketoneorganic oxideorganic oxygen compoundaromatic homopolycyclic compoundhydrocarbon derivativenaphthoquinoneorganooxygen compoundaryl ketonequinone |
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