| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:37 UTC |
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| Update Date | 2025-03-25 00:49:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02177681 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H12ClNO |
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| Molecular Mass | 269.0607 |
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| SMILES | N#Cc1ccc2c(c1)OCCC2c1ccc(Cl)cc1 |
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| InChI Key | UNKLBOLBMMRZGR-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 chlorideschlorobenzeneshydrocarbon derivativesnitrilesorganochloridesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compounds |
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| Substituents | neoflavanmonocyclic benzene moietyethernitrile1-benzopyranorganochloridealkyl aryl etherorganohalogen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundchromanecarbonitrileorganoheterocyclic compoundaryl chloridechlorobenzenebenzopyranaryl halideoxacycleorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneorganooxygen compound |
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