| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:34 UTC |
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| Update Date | 2025-03-25 00:56:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02218846 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H14O4 |
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| Molecular Mass | 234.0892 |
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| SMILES | Cc1ccc2c(c1)C(=O)CC2(O)CCC(=O)O |
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| InChI Key | WNGLFGUQJZSBOO-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 ketonescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidestertiary alcohols |
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| Substituents | alcoholcarbonyl groupcarboxylic acidaryl alkyl ketoneindanonearomatic homopolycyclic compoundcarboxylic acid derivativeketonetertiary alcoholorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganooxygen compoundaryl ketone |
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