| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:05:08 UTC |
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| Update Date | 2025-03-21 18:28:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00074486 |
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| Frequency | 39.8 |
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| Structure | |
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| Chemical Formula | C12H14O2 |
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| Molecular Mass | 190.0994 |
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| SMILES | COc1ccc2c(c1)C(C)(C)CC2=O |
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| InChI Key | VQJNJGBSRXLRSA-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 | alkyl aryl ethersanisolesaryl alkyl ketoneshydrocarbon derivativesorganic oxides |
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| Substituents | phenol etheretheraryl alkyl ketoneindanonearomatic homopolycyclic compoundalkyl aryl etherketoneorganic oxideorganic oxygen compoundanisolehydrocarbon derivativeorganooxygen compoundaryl ketone |
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