| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:03:17 UTC |
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| Update Date | 2025-03-21 18:28:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00070037 |
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| Frequency | 43.0 |
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| Structure | |
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| Chemical Formula | C25H28Cl2N6O3 |
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| Molecular Mass | 530.16 |
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| SMILES | N=C(N)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 |
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| InChI Key | QVZWUFJODJMJSY-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-dioxolanesalkyl aryl ethersaminophenyl ethersaniline and substituted anilinesaryl chloridesazacyclic compoundscarboximidamidesdialkylarylaminesdichlorobenzenesguanidinesheteroaromatic compoundshydrocarbon derivativesimidazolesiminesketalsn-arylpiperazinesn-substituted imidazolesorganochloridesorganopnictogen compoundsoxacyclic compoundsphenoxy compounds |
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| Substituents | phenol ethermonocyclic benzene moietymeta-dioxolaneetheraromatic heteromonocyclic compoundguanidineimineorganochloridealkyl aryl etherorganohalogen compound1,3-dichlorobenzeneacetalimidazoleketaltertiary aliphatic/aromatic amineorganonitrogen compoundorganopnictogen compounddialkylarylamineaminophenyl ethertertiary amineazolen-substituted imidazolearyl chloridechlorobenzeneazacycleaniline or substituted anilinesheteroaromatic compoundcarboximidamidearyl halidephenylpiperazineoxacycleorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzenephenoxy compoundaminen-arylpiperazineorganooxygen compound |
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