| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:11:29 UTC |
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| Update Date | 2025-03-25 00:57:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02227678 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C30H28Cl2N4O4 |
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| Molecular Mass | 578.1488 |
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| SMILES | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)c2ccccc21 |
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| InChI Key | RVDVSZSEQAWWRA-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | phenol ethers |
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| Subclass | aminophenyl ethers |
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| Direct Parent | aminophenyl ethers |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,3-dioxolanesacetamidesalkyl aryl ethersamino acids and derivativesaniline and substituted anilinesaryl chloridesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdichlorobenzenesheteroaromatic compoundshydrocarbon derivativesimidazolesketalsn-substituted imidazolesorganic oxidesorganochloridesorganopnictogen compoundsoxacyclic compoundsphenoxy compoundstertiary alkylarylaminestertiary carboxylic acid amides |
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| Substituents | monocyclic benzene moietymeta-dioxolanecarbonyl groupetheramino acid or derivativesorganochloridealkyl aryl ethercarboxylic acid derivativeorganohalogen compound1,3-dichlorobenzeneorganic oxideacetalaromatic heteropolycyclic compoundimidazoleketaltertiary aliphatic/aromatic aminetertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundaminophenyl ethertertiary amineorganoheterocyclic compoundacetamideazolen-substituted imidazolearyl chloridechlorobenzeneazacycleaniline or substituted anilinesheteroaromatic compoundcarboxamide grouparyl halideoxacycleorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundhalobenzenephenoxy compoundamineorganooxygen compound |
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