Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-20 23:48:50 UTC |
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Update Date | 2025-03-21 18:01:58 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00035711 |
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Frequency | 99.6 |
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Structure | |
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Chemical Formula | C10H10Cl2O2 |
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Molecular Mass | 232.0058 |
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SMILES | CC(=O)OC(c1ccccc1)C(Cl)Cl |
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InChI Key | OUBNRGWVCFIKMP-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 chloridescarbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochlorides |
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Substituents | benzyloxycarbonylcarbonyl groupalkyl chlorideorganochloridecarboxylic acid derivativeorganohalogen compoundaromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteralkyl halidehydrocarbon derivativeorganooxygen compound |
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