| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:44 UTC |
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| Update Date | 2025-03-25 00:46:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02155221 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H13IO |
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| Molecular Mass | 300.0011 |
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| SMILES | Cc1cc2c(cc1I)C(C)(C)CC2=O |
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| InChI Key | LCLHRZUTUMRBHX-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 | indanes |
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| Subclass | indanones |
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| Direct Parent | indanones |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | aryl alkyl ketonesaryl iodideshydrocarbon derivativesorganic oxidesorganoiodidesorganooxygen compounds |
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| Substituents | aryl alkyl ketoneindanonearomatic homopolycyclic compoundorganohalogen compoundorganoiodidearyl halideketoneorganic oxideorganic oxygen compoundhydrocarbon derivativearyl iodideorganooxygen compoundaryl ketone |
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