| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:11 UTC |
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| Update Date | 2025-03-21 18:03:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00046197 |
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| Frequency | 72.6 |
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| Structure | |
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| Chemical Formula | C27H29N5O4 |
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| Molecular Mass | 487.222 |
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| SMILES | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(C#N)cc4)O3)cc2)CC1 |
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| InChI Key | CDLPZPCSEXPDJD-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 | diazinanes |
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| Subclass | piperazines |
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| Direct Parent | phenylpiperazines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,3-dioxolanesacetamidesalkyl aryl ethersamino acids and derivativesaminophenyl ethersaniline and substituted anilinesazacyclic compoundsbenzonitrilescarbonyl compoundscarboxylic acids and derivativesdialkylarylaminesheteroaromatic compoundshydrocarbon derivativesimidazolesketalsn-arylpiperazinesn-substituted imidazolesnitrilesorganic oxidesorganopnictogen compoundsoxacyclic compoundsphenoxy compoundstertiary carboxylic acid amides |
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| Substituents | phenol ethermonocyclic benzene moietymeta-dioxolanecarbonyl groupethernitrilearomatic heteromonocyclic compoundamino acid or derivativesalkyl aryl ethercarboxylic acid derivativeorganic oxideacetalimidazoleketaltertiary aliphatic/aromatic aminetertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compounddialkylarylamineaminophenyl ethercarbonitriletertiary amineacetamideazolen-substituted imidazoleazacycleaniline or substituted anilinesheteroaromatic compoundcarboxamide groupbenzonitrilephenylpiperazineoxacycleorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundaminen-arylpiperazineorganooxygen compound |
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