| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:38 UTC |
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| Update Date | 2025-03-25 00:49:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02177686 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H12ClN3O2 |
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| Molecular Mass | 337.0618 |
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| SMILES | N#Cc1ccc2c(c1)OC(Cn1ccnc1)(c1ccc(Cl)cc1)O2 |
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| InChI Key | DLISMGSLQHUYLE-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 | benzodioxoles |
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| Subclass | benzodioxoles |
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| Direct Parent | benzodioxoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | aryl chloridesazacyclic compoundschlorobenzenesheteroaromatic compoundshydrocarbon derivativesimidazolesketalsn-substituted imidazolesnitrilesorganochloridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compounds |
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| Substituents | monocyclic benzene moietynitrileorganochlorideorganohalogen compoundacetalaromatic heteropolycyclic compoundimidazoleketalorganonitrogen compoundorganopnictogen compoundcarbonitrilebenzodioxoleazolen-substituted imidazolearyl chloridechlorobenzeneazacycleheteroaromatic compoundaryl halideoxacycleorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneorganooxygen compound |
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