| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:49 UTC |
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| Update Date | 2025-03-25 00:48:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02166628 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H29N3O2 |
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| Molecular Mass | 367.226 |
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| SMILES | CC(=O)NCCCN1CCC(C(O)(c2ccccc2)c2ccccn2)CC1 |
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| InChI Key | XZQRIOFYMBFVBU-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 | pyridines and derivatives |
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| Subclass | halopyridines |
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| Direct Parent | 2-halopyridines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetamidesamino acids and derivativesaromatic alcoholsazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesorganic oxidesorganopnictogen compoundspiperidinessecondary carboxylic acid amidestertiary alcoholstrialkylamines |
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| Substituents | aromatic alcoholmonocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compoundamino acid or derivativescarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compound2-halopyridinepiperidinetertiary amineacetamidealcoholazacycleheteroaromatic compoundtertiary aliphatic aminehydroxypyridinemethylpyridinecarboxamide groupsecondary carboxylic acid amidetertiary alcoholorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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