| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:26 UTC |
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| Update Date | 2025-03-21 18:34:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00101602 |
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| Frequency | 26.9 |
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| Structure | |
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| Chemical Formula | C14H12Cl2N2O2 |
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| Molecular Mass | 310.0276 |
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| SMILES | O=C1CCC(Cn2ccnc2)(c2ccc(Cl)cc2Cl)O1 |
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| InChI Key | ROXFFZKDVRKBDD-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 | halobenzenes |
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| Direct Parent | dichlorobenzenes |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aryl chloridesazacyclic compoundscarbonyl compoundscarboxylic acid estersgamma butyrolactonesheteroaromatic compoundshydrocarbon derivativesimidazolesmonocarboxylic acids and derivativesn-substituted imidazolesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundstetrahydrofurans |
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| Substituents | carbonyl grouparomatic heteromonocyclic compoundorganochloridecarboxylic acid derivativeorganohalogen compound1,3-dichlorobenzenelactoneorganic oxideimidazoleorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazolen-substituted imidazolearyl chlorideazacycletetrahydrofuranheteroaromatic compoundgamma butyrolactonearyl halideoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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