| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:13:04 UTC |
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| Update Date | 2025-03-25 00:58:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02231151 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H26N2O2S |
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| Molecular Mass | 382.1715 |
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| SMILES | CCCN(CCC)S(=O)(=O)c1cccc2c(Nc3ccccc3)cccc12 |
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| InChI Key | CRBSPNDKHDFFDK-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 | naphthalenes |
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| Subclass | naphthalene sulfonic acids and derivatives |
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| Direct Parent | 1-naphthalene sulfonic acids and derivatives |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | 1-naphthalene sulfonamidesaminosulfonyl compoundsbenzene and substituted derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundsorganosulfonamidessecondary amines |
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| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietyaminosulfonyl compoundaromatic homopolycyclic compoundnaphthalene sulfonamidesecondary amineorganosulfur compound1-naphthalene sulfonic acid or derivativesorganosulfonic acid amideorganic oxidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativesorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compound1-naphthalene sulfonamideamine |
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