| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:22:16 UTC |
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| Update Date | 2025-03-21 18:37:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00115841 |
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| Frequency | 22.7 |
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| Structure | |
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| Chemical Formula | C13H14O3 |
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| Molecular Mass | 218.0943 |
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| SMILES | Cc1cc2c(cc1C(=O)O)C(C)(C)CC2=O |
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| InChI Key | PPAGZLYPGQROHL-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 | 1-carboxy-2-haloaromatic compoundsaryl alkyl ketoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compounds |
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| Substituents | carboxylic acidaryl alkyl ketoneindanonearomatic homopolycyclic compoundcarboxylic acid derivativeketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivative1-carboxy-2-haloaromatic compoundorganooxygen compoundaryl ketone |
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