| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:28 UTC |
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| Update Date | 2025-03-25 00:54:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02209219 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H11NO3 |
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| Molecular Mass | 205.0739 |
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| SMILES | CC1(C)CC(=O)c2c([N+](=O)[O-])cccc21 |
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| InChI Key | MEMIAUUQJIWFPJ-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 derivativesnitroaromatic compoundsorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | nitroaromatic compoundaryl alkyl ketoneallyl-type 1,3-dipolar organic compoundindanonearomatic homopolycyclic compoundorganic 1,3-dipolar compoundorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundketoneorganic oxideorganic oxygen compoundc-nitro compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic oxoazaniumorganooxygen compoundorganic hyponitritearyl ketone |
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