| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:38 UTC |
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| Update Date | 2025-03-21 18:38:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00121473 |
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| Frequency | 21.3 |
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| Structure | |
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| Chemical Formula | C17H23NO3 |
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| Molecular Mass | 289.1678 |
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| SMILES | C=CC1(O)CN2CCC1CC2C(O)c1cccc(OC)c1 |
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| InChI Key | VKNSFYTVOXMLJR-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | quinuclidines |
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| Subclass | quinuclidines |
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| Direct Parent | quinuclidines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,2-aminoalcoholsalkyl aryl ethersanisolesaromatic alcoholsazacyclic compoundshydrocarbon derivativesmethoxybenzenesorganopnictogen compoundsphenoxy compoundspiperidinessecondary alcoholstertiary alcoholstrialkylamines |
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| Substituents | aromatic alcoholphenol ethermonocyclic benzene moietyetherquinuclidinealkyl aryl etheraromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundpiperidinetertiary aminealcoholazacycle1,2-aminoalcoholtertiary aliphatic aminemethoxybenzenetertiary alcoholorganic oxygen compoundanisolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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