| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:05 UTC |
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| Update Date | 2025-03-25 00:45:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02148987 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H10O5 |
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| Molecular Mass | 234.0528 |
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| SMILES | O=C(O)CCC1(O)C(=O)c2ccccc2C1=O |
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| InChI Key | PJUQNBYMRLCRCM-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 | indanediones |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | acyloinsaryl alkyl ketonescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidestertiary alcohols |
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| Substituents | alcoholcarbonyl groupcarboxylic acidaryl alkyl ketoneindanedionearomatic homopolycyclic compoundcarboxylic acid derivativeketonetertiary alcoholorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundacyloinhydrocarbon derivativeorganooxygen compoundaryl ketone |
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