| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:13 UTC |
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| Update Date | 2025-03-25 00:51:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02188140 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C25H29Cl2N3O4 |
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| Molecular Mass | 505.1535 |
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| SMILES | CC(=O)NC1CC(c2ccc(Cl)cc2Cl)OC1COc1ccc(N2CCN(C(C)=O)CC2)cc1 |
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| InChI Key | MOCBOIQOIFBMNZ-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 | acetamidesalkyl aryl ethersamino acids and derivativesaminophenyl ethersaniline and substituted anilinesaryl chloridesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdialkyl ethersdialkylarylaminesdichlorobenzeneshydrocarbon derivativesn-arylpiperazinesorganic oxidesorganochloridesorganopnictogen compoundsoxacyclic compoundsphenoxy compoundssecondary carboxylic acid amidestertiary carboxylic acid amidestetrahydrofurans |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetheraromatic heteromonocyclic compoundamino acid or derivativesorganochloridealkyl aryl ethercarboxylic acid derivativeorganohalogen compounddialkyl ether1,3-dichlorobenzeneorganic oxidetertiary aliphatic/aromatic aminetertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compounddialkylarylamineaminophenyl ethertertiary amineacetamidearyl chloridechlorobenzeneazacycletetrahydrofurananiline or substituted anilinescarboxamide grouparyl halidephenylpiperazineoxacyclesecondary carboxylic acid amideorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzenephenoxy compoundaminen-arylpiperazineorganooxygen compound |
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