| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:55:01 UTC |
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| Update Date | 2025-03-25 00:51:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02189964 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H22ClNO |
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| Molecular Mass | 327.139 |
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| SMILES | C=CC1CN2CCC1CC2C(O)c1cccc2cc(Cl)ccc12 |
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| InChI Key | RSBOYLTXCYTDPR-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 | naphthalenes |
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| Subclass | chloronaphthalenes |
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| Direct Parent | chloronaphthalenes |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,2-aminoalcoholsaromatic alcoholsaryl chloridesazacyclic compoundshydrocarbon derivativesorganochloridesorganopnictogen compoundspiperidinesquinuclidinessecondary alcoholstrialkylamines |
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| Substituents | aromatic alcoholquinuclidineorganochlorideorganohalogen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundpiperidinetertiary amineorganoheterocyclic compoundaryl chloridealcoholazacycle1,2-aminoalcoholtertiary aliphatic aminechloronaphthalenearyl halideorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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