| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:43 UTC |
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| Update Date | 2025-03-25 00:56:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219214 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H25N3O4 |
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| Molecular Mass | 347.1845 |
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| SMILES | COc1ccc(N2CCN(C(C)=O)CC2)c(C(=O)CCNC(C)=O)c1 |
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| InChI Key | SNHXAOJYWXUSMF-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | alkyl-phenylketones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetamidesalkyl aryl ethersamino acids and derivativesaminophenyl ethersaniline and substituted anilinesanisolesaryl alkyl ketonesazacyclic compoundsbenzoyl derivativescarboxylic acids and derivativesdialkylarylamineshydrocarbon derivativesmethoxybenzenesn-arylpiperazinesorganic oxidesorganopnictogen compoundsphenoxy compoundsphenylpiperazinessecondary carboxylic acid amidestertiary carboxylic acid amidesvinylogous amides |
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| Substituents | phenol ethermonocyclic benzene moietyetheraryl alkyl ketonearomatic heteromonocyclic compoundamino acid or derivativesbenzoylalkyl aryl ethercarboxylic acid derivativeorganic oxidepiperazinetertiary aliphatic/aromatic aminetertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compounddialkylarylamineaminophenyl ethertertiary amineorganoheterocyclic compoundacetamidevinylogous amideazacycleaniline or substituted anilinescarboxamide groupmethoxybenzenephenylpiperazinesecondary carboxylic acid amideanisole1,4-diazinanehydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundaminen-arylpiperazinealkyl-phenylketone |
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