| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:58 UTC |
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| Update Date | 2025-03-25 00:50:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180723 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H13ClO2 |
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| Molecular Mass | 224.0604 |
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| SMILES | COc1cc2c(cc1Cl)C(=O)CC2(C)C |
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| InChI Key | SMQOGWZSNOTSTQ-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 ketonesaryl chlorideshydrocarbon derivativesorganic oxidesorganochlorides |
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| Substituents | aryl chloridephenol etheretheraryl alkyl ketoneorganochlorideindanonearomatic homopolycyclic compoundalkyl aryl etherorganohalogen compoundaryl halideketoneorganic oxideorganic oxygen compoundanisolehydrocarbon derivativeorganooxygen compoundaryl ketone |
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