| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:11 UTC |
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| Update Date | 2025-03-25 00:45:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02149191 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H26INO |
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| Molecular Mass | 435.1059 |
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| SMILES | COc1ccc2c(c1)CCC2(CCCN(C)C)c1ccc(I)cc1 |
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| InChI Key | VGZXJJRPQSMLHX-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 | phenylbutylamines |
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| Direct Parent | phenylbutylamines |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolesaryl iodideshydrocarbon derivativesindanesiodobenzenesorganoiodidesorganopnictogen compoundstrialkylamines |
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| Substituents | phenol etheretheralkyl aryl etherorganohalogen compoundiodobenzeneorganoiodidephenylbutylamineorganonitrogen compoundorganopnictogen compoundtertiary aminetertiary aliphatic aminearomatic homopolycyclic compoundaryl halideorganic oxygen compoundanisoleindanehydrocarbon derivativearyl iodideorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
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