| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:48 UTC |
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| Update Date | 2025-03-21 18:04:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00052335 |
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| Frequency | 62.2 |
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| Structure | |
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| Chemical Formula | C10H9Cl3O3 |
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| Molecular Mass | 281.9617 |
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| SMILES | CC(=O)OC(c1ccccc1O)C(Cl)(Cl)Cl |
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| InChI Key | NDZOURVBIBTBHO-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 | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl chloridescarbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochlorides |
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| Substituents | benzyloxycarbonylcarbonyl groupalkyl chlorideorganochloride1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativeorganohalogen compoundaromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterphenolalkyl halidehydrocarbon derivativeorganooxygen compound |
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