| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:13:40 UTC |
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| Update Date | 2025-03-21 18:33:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00094793 |
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| Frequency | 29.3 |
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| Structure | |
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| Chemical Formula | C9H6O3 |
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| Molecular Mass | 162.0317 |
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| SMILES | O=C1CC(=O)c2cc(O)ccc21 |
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| InChI Key | BKBGCIJINOXJAF-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 | indanediones |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsaryl alkyl ketoneshydrocarbon derivativesorganic oxidesorganooxygen compounds |
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| Substituents | aryl alkyl ketoneindanedione1-hydroxy-2-unsubstituted benzenoidaromatic homopolycyclic compoundketoneorganic oxideorganic oxygen compoundhydrocarbon derivativeorganooxygen compoundaryl ketone |
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