| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:11:23 UTC |
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| Update Date | 2025-03-25 00:57:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02227455 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H22N2O |
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| Molecular Mass | 318.1732 |
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| SMILES | C=CC1CN2CCC1CC2C(O)c1cc(C#N)cc2ccccc12 |
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| InChI Key | DXUNHBCRYBSZCC-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 | naphthalenes |
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| Direct Parent | naphthalenes |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,2-aminoalcoholsaromatic alcoholsazacyclic compoundshydrocarbon derivativesnitrilesorganopnictogen compoundspiperidinesquinuclidinessecondary alcoholstrialkylamines |
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| Substituents | aromatic alcoholalcoholnitrileazacycle1,2-aminoalcoholquinuclidinetertiary aliphatic aminenaphthaleneorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundpiperidineaminecarbonitriletertiary amineorganoheterocyclic compoundorganooxygen compound |
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