| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:19:24 UTC |
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| Update Date | 2025-03-25 01:00:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02245740 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H13Cl2NO |
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| Molecular Mass | 317.0374 |
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| SMILES | CC1CC(c2ccc(Cl)c(Cl)c2)c2ccc(C#N)cc2O1 |
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| InChI Key | JRXKIIKMPDLKGI-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | neoflavonoids |
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| Subclass | neoflavans |
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| Direct Parent | neoflavans |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyransalkyl aryl ethersaryl chloridesdichlorobenzeneshydrocarbon derivativesnitrilesorganochloridesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compounds |
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| Substituents | neoflavanmonocyclic benzene moietyethernitrile1-benzopyranorganochloridealkyl aryl etherorganohalogen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundchromane1,2-dichlorobenzenecarbonitrileorganoheterocyclic compoundaryl chloridechlorobenzenebenzopyranaryl halideoxacycleorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneorganooxygen compound |
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