| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:25 UTC |
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| Update Date | 2025-03-25 00:47:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02158915 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H20N2O2 |
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| Molecular Mass | 272.1525 |
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| SMILES | Oc1cccc2c(C(O)C3CC4CCN3CC4)c[nH]c12 |
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| InChI Key | PWKUUVWARYLIAI-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 | indoles and derivatives |
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| Subclass | indoles |
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| Direct Parent | indoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,2-aminoalcohols1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsaromatic alcoholsazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesorganopnictogen compoundspiperidinespyrrolesquinuclidinessecondary alcoholstrialkylamines |
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| Substituents | aromatic alcoholindolequinuclidine1-hydroxy-2-unsubstituted benzenoidaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundpiperidinetertiary aminealcoholazacycle1,2-aminoalcoholheteroaromatic compoundtertiary aliphatic amine1-hydroxy-4-unsubstituted benzenoidorganic oxygen compoundpyrrolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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