| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:29 UTC |
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| Update Date | 2025-03-25 00:57:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02223290 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H11NO2 |
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| Molecular Mass | 177.079 |
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| SMILES | NCC1(O)CC(=O)c2ccccc21 |
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| InChI Key | MHQDBRCBUNUOLA-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 ketoneshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundstertiary alcohols |
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| Substituents | alcoholaryl alkyl ketoneindanonearomatic homopolycyclic compoundketonetertiary alcoholorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundaryl ketone |
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