| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:58 UTC |
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| Update Date | 2025-03-25 00:49:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02171513 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H18Cl2N2O2 |
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| Molecular Mass | 376.0745 |
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| SMILES | CN(C)CCOC1(c2ccc(Cl)c(Cl)c2)OCc2cc(C#N)ccc21 |
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| InChI Key | IVIQTNZAFBIOQI-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | isocoumarans |
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| Subclass | isocoumarans |
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| Direct Parent | isocoumarans |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | aryl chloridesbenzylethersdichlorobenzeneshydrocarbon derivativesketalsnitrilesorganochloridesorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundstrialkylamines |
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| Substituents | monocyclic benzene moietynitrilebenzyletherorganochlorideorganohalogen compoundisocoumaranacetalaromatic heteropolycyclic compoundketalorganonitrogen compoundorganopnictogen compound1,2-dichlorobenzenecarbonitriletertiary aminearyl chloridechlorobenzenetertiary aliphatic aminearyl halideoxacycleorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
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