| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:33 UTC |
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| Update Date | 2025-03-21 18:38:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00121265 |
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| Frequency | 21.4 |
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| Structure | |
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| Chemical Formula | C12H12O |
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| Molecular Mass | 172.0888 |
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| SMILES | CC1=Cc2cc(C)c(C)cc2C1=O |
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| InChI Key | XGWYRPCXTIBIHO-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 | indenes and isoindenes |
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| Subclass | indenes and isoindenes |
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| Direct Parent | indenes and isoindenes |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | aryl ketoneshydrocarbon derivativesorganic oxidesorganooxygen compounds |
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| Substituents | ketoneorganic oxideindeneorganic oxygen compoundaromatic homopolycyclic compoundhydrocarbon derivativeorganooxygen compoundaryl ketone |
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