| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:45 UTC |
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| Update Date | 2025-03-25 00:59:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02239516 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H11Cl2NO2 |
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| Molecular Mass | 283.0167 |
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| SMILES | O=Cc1ccc(CO)n1Cc1ccc(Cl)cc1Cl |
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| InChI Key | UDBVERPOZNPUBY-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 | aromatic alcoholsaryl chloridesaryl-aldehydesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundssubstituted pyrroles |
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| Substituents | aromatic alcoholaromatic heteromonocyclic compoundorganochloridesubstituted pyrroleorganohalogen compound1,3-dichlorobenzeneorganic oxidearyl-aldehydeorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundaryl chloridealcoholazacycleheteroaromatic compoundaldehydearyl halideorganic oxygen compoundpyrrolehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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