| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:57 UTC |
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| Update Date | 2025-03-25 00:51:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02185199 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H18Cl3N3O4 |
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| Molecular Mass | 481.0363 |
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| SMILES | NC(=O)c1ccc(OCC2COC(Cn3ccnc3)(c3ccc(Cl)cc3Cl)O2)cc1Cl |
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| InChI Key | MGRJMHUKDGEWOK-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 | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | 2-halobenzoic acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,3-dioxolanesalkyl aryl ethersaryl chloridesazacyclic compoundsbenzamidesbenzoyl derivativescarboxylic acids and derivativesdichlorobenzenesheteroaromatic compoundshydrocarbon derivativesimidazolesketalsn-substituted imidazolesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsphenol ethersphenoxy compoundsprimary carboxylic acid amidesvinylogous halides |
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| Substituents | primary carboxylic acid amidephenol ethermeta-dioxolaneetheraromatic heteromonocyclic compoundorganochloridebenzoylalkyl aryl ethercarboxylic acid derivativeorganohalogen compoundbenzamide1,3-dichlorobenzeneorganic oxideacetalimidazoleketalorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazolen-substituted imidazolearyl chloridechlorobenzeneazacycleheteroaromatic compoundcarboxamide groupvinylogous halide2-halobenzoic acid or derivativesaryl halideoxacycleorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundhalobenzenephenoxy compoundorganooxygen compound |
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