| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:05 UTC |
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| Update Date | 2025-03-25 00:50:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183248 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H13Cl3O3 |
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| Molecular Mass | 357.993 |
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| SMILES | O=C(OC(c1ccccc1)C(Cl)(Cl)Cl)C(O)c1ccccc1 |
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| InChI Key | BIPJVJUYIDGKIH-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 chloridesaromatic alcoholscarbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridessecondary alcohols |
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| Substituents | benzyloxycarbonylaromatic alcoholalcoholcarbonyl groupalkyl chlorideorganochloridecarboxylic acid derivativeorganohalogen compoundaromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholalkyl halidehydrocarbon derivativeorganooxygen compound |
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