| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:14 UTC |
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| Update Date | 2025-03-25 00:59:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02236139 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H15NO2 |
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| Molecular Mass | 205.1103 |
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| SMILES | COc1ccc(C(O)C2CCC=N2)cc1 |
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| InChI Key | NBNLXCVQJBHSSB-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 | phenol ethers |
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| Subclass | anisoles |
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| Direct Parent | anisoles |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersaromatic alcoholsazacyclic compoundshydrocarbon derivativesiminesmethoxybenzenesorganopnictogen compoundsphenoxy compoundspropargyl-type 1,3-dipolar organic compoundspyrrolinessecondary alcohols |
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| Substituents | aromatic alcoholmonocyclic benzene moietyetheraromatic heteromonocyclic compoundiminealkyl aryl etherpropargyl-type 1,3-dipolar organic compoundorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundalcoholazacycleorganic 1,3-dipolar compoundmethoxybenzenepyrrolineorganic oxygen compoundanisolesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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