| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:54 UTC |
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| Update Date | 2025-03-21 18:34:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00102737 |
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| Frequency | 26.5 |
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| Structure | |
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| Chemical Formula | C11H13NO2 |
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| Molecular Mass | 191.0946 |
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| SMILES | CC1NCCc2cc3c(cc21)OCO3 |
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| InChI Key | NJEYVXBUGJBTBC-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 | tetrahydroisoquinolines |
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| Subclass | tetrahydroisoquinolines |
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| Direct Parent | tetrahydroisoquinolines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | acetalsazacyclic compoundsbenzenoidsbenzodioxolesdialkylamineshydrocarbon derivativesorganooxygen compoundsorganopnictogen compoundsoxacyclic compounds |
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| Substituents | secondary aliphatic amineazacyclesecondary amineoxacycleorganic oxygen compoundacetalaromatic heteropolycyclic compoundorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundaminebenzodioxole |
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