| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:31 UTC |
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| Update Date | 2025-03-25 01:00:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02241270 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C24H31Cl2N3O |
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| Molecular Mass | 447.1844 |
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| SMILES | CC(=O)NCCCNCCCNC1CCC(c2ccc(Cl)c(Cl)c2)c2ccccc21 |
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| InChI Key | MPDGTAKKCCHUFM-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 | tetralins |
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| Subclass | tametralines |
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| Direct Parent | tametralines |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | acetamidesamino acids and derivativesaryl chloridescarbonyl compoundscarboxylic acids and derivativesdialkylaminesdichlorobenzeneshydrocarbon derivativesorganic oxidesorganochloridesorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupamino acid or derivativesorganochloridecarboxylic acid derivativeorganohalogen compoundorganic oxideorganonitrogen compoundorganopnictogen compound1,2-dichlorobenzeneacetamidearyl chloridechlorobenzenesecondary aliphatic aminearomatic homopolycyclic compoundsecondary aminecarboxamide grouparyl halidetametralinesecondary carboxylic acid amideorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundhalobenzeneorganooxygen compoundamine |
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