| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:56 UTC |
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| Update Date | 2025-03-25 00:56:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219686 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H8Cl6O4 |
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| Molecular Mass | 425.8554 |
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| SMILES | COC(=O)c1ccccc1C(=O)OC(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl |
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| InChI Key | VKVGHVNAJDJDGL-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 | benzoic acids and derivatives |
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| Direct Parent | benzoic acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl chloridesbenzoyl derivativesdicarboxylic acids and derivativeshydrocarbon derivativesmethyl estersorganic oxidesorganochloridesorganooxygen compounds |
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| Substituents | alkyl chlorideorganochloridebenzoylbenzoate estercarboxylic acid derivativeorganohalogen compoundaromatic homomonocyclic compoundorganic oxidemethyl esterorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativesalkyl halidehydrocarbon derivativeorganooxygen compound |
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