| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:56 UTC |
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| Update Date | 2025-03-25 00:46:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153342 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H20N2O2 |
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| Molecular Mass | 236.1525 |
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| SMILES | COc1ccc(NCCCCNC(C)=O)cc1 |
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| InChI Key | OOPGVAXHSUUQJQ-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 homomonocyclic compounds |
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| Alternative Parents | acetamidesalkyl aryl ethersamino acids and derivativescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesmethoxybenzenesorganic oxidesorganopnictogen compoundsphenoxy compoundsphenylalkylaminessecondary alkylarylaminessecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupetheramino acid or derivativesalkyl aryl ethercarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundacetamidesecondary aminecarboxamide groupmethoxybenzenesecondary aliphatic/aromatic aminearomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxygen compoundanisolephenylalkylaminehydrocarbon derivativeorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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