| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:58 UTC |
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| Update Date | 2025-03-25 00:46:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153403 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H23NO2 |
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| Molecular Mass | 297.1729 |
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| SMILES | COc1ccc2c(c1)COC2(CCN(C)C)c1ccccc1 |
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| InChI Key | XLSNWMLVFFYHNW-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 | isocoumarans |
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| Subclass | isocoumarans |
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| Direct Parent | isocoumarans |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolesbenzene and substituted derivativesdialkyl ethershydrocarbon derivativesorganopnictogen compoundsoxacyclic compoundstrialkylamines |
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| Substituents | phenol ethermonocyclic benzene moietyethertertiary aliphatic aminealkyl aryl etherdialkyl etheroxacycleisocoumaranorganic oxygen compoundaromatic heteropolycyclic compoundanisoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundaminetertiary amineorganooxygen compound |
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