| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:22 UTC |
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| Update Date | 2025-03-25 00:46:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02156613 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H15ClN2O2 |
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| Molecular Mass | 338.0822 |
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| SMILES | O=C1CC(Cn2ccnc2)(c2ccc(Cl)cc2)Oc2ccccc21 |
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| InChI Key | XINUSAKODJKYKP-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 | flavonoids |
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| Subclass | flavans |
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| Direct Parent | flavans |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersaryl alkyl ketonesaryl chloridesazacyclic compoundschlorobenzeneschromonesheteroaromatic compoundshydrocarbon derivativesimidazolesn-substituted imidazolesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compounds |
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| Substituents | monocyclic benzene moietyetheraryl alkyl ketone1-benzopyranflavanorganochloridealkyl aryl etherorganohalogen compoundketoneorganic oxidechromonearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundchromaneorganoheterocyclic compoundazolen-substituted imidazolearyl chloridechlorobenzenebenzopyranazacycleheteroaromatic compoundaryl halideoxacycleorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneorganooxygen compoundaryl ketone |
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