| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:23 UTC |
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| Update Date | 2025-03-25 00:50:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179377 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H12O4 |
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| Molecular Mass | 220.0736 |
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| SMILES | COc1ccc2c(c1)CC(CC(=O)O)C2=O |
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| InChI Key | YKISAWNLRSILLY-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 ketonescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | phenol ethercarbonyl groupethercarboxylic acidaryl alkyl ketoneindanonearomatic homopolycyclic compoundalkyl aryl ethercarboxylic acid derivativeketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundanisolehydrocarbon derivativeorganooxygen compoundaryl ketone |
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