| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:37 UTC |
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| Update Date | 2025-03-25 00:47:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02161562 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H25NO3 |
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| Molecular Mass | 339.1834 |
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| SMILES | C=CC1CN2CCC1CC2C(O)c1c(O)ccc2ccc(OC)cc12 |
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| InChI Key | JEEPRYXMYFIELH-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 | naphthols and derivatives |
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| Direct Parent | naphthols and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,2-aminoalcohols1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisolesaromatic alcoholsazacyclic compoundshydrocarbon derivativesorganopnictogen compoundspiperidinesquinuclidinessecondary alcoholstrialkylamines |
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| Substituents | aromatic alcoholphenol etheretherquinuclidine1-hydroxy-2-unsubstituted benzenoidalkyl aryl etheraromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundpiperidine2-naphtholtertiary amineorganoheterocyclic compoundalcoholazacycle1,2-aminoalcoholtertiary aliphatic amineorganic oxygen compoundanisolesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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