| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:09:22 UTC |
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| Update Date | 2025-03-21 18:31:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00084610 |
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| Frequency | 33.9 |
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| Structure | |
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| Chemical Formula | C11H9Cl3O4 |
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| Molecular Mass | 309.9566 |
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| SMILES | CC(=O)OC(c1ccc(C(=O)O)cc1)C(Cl)(Cl)Cl |
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| InChI Key | RZZCFUAQTNDUAJ-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 | benzene and substituted derivatives |
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| Subclass | benzyloxycarbonyls |
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| Direct Parent | benzyloxycarbonyls |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl chloridesbenzoic acidsbenzoyl derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganochlorides |
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| Substituents | benzyloxycarbonylcarbonyl groupcarboxylic acidalkyl chlorideorganochloridebenzoylbenzoic acid or derivativescarboxylic acid derivativeorganohalogen compoundaromatic homomonocyclic compoundorganic oxideorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativesalkyl halidehydrocarbon derivativebenzoic acidorganooxygen compound |
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