| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:26 UTC |
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| Update Date | 2025-03-25 00:56:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220884 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H7ClO4 |
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| Molecular Mass | 226.0033 |
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| SMILES | O=C1CC(O)(C(=O)O)c2cc(Cl)ccc21 |
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| InChI Key | JMLBZTHZDKLVRB-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 | alpha hydroxy acids and derivativesaryl alkyl ketonesaryl chloridescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridestertiary alcohols |
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| Substituents | aryl chloridealcoholcarbonyl groupcarboxylic acidaryl alkyl ketoneorganochloridealpha-hydroxy acidindanonearomatic homopolycyclic compoundhydroxy acidcarboxylic acid derivativeorganohalogen compoundaryl halideketonetertiary alcoholorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganooxygen compoundaryl ketone |
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