| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:39 UTC |
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| Update Date | 2025-03-21 18:33:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00097208 |
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| Frequency | 28.4 |
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| Structure | |
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| Chemical Formula | C10H9ClO3 |
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| Molecular Mass | 212.024 |
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| SMILES | CC(=O)OC(C(=O)Cl)c1ccccc1 |
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| InChI Key | BERNQQVIUAZUHY-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 | acyl chloridescarbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochlorides |
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| Substituents | benzyloxycarbonylcarbonyl grouporganochloridecarboxylic acid derivativeorganohalogen compoundacyl halidearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteracyl chloridehydrocarbon derivativeorganooxygen compound |
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