| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:03 UTC |
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| Update Date | 2025-03-25 00:46:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153627 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H17NO4S |
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| Molecular Mass | 343.0878 |
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| SMILES | COc1ccc(CNc2cccc3cccc(S(=O)(=O)O)c23)cc1 |
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| InChI Key | KBIVSXGIKQWVBY-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 sulfonates1-sulfo,2-unsubstituted aromatic compoundsalkyl aryl ethersanisolesarylsulfonic acids and derivativeshydrocarbon derivativesmethoxybenzenesorganic oxidesorganopnictogen compoundsorganosulfonic acidsphenoxy compoundssecondary alkylarylaminessulfonyls |
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| Substituents | phenol etherorganosulfonic acid or derivativesmonocyclic benzene moietyetherorganosulfonic acidalkyl aryl etherorganosulfur compound1-naphthalene sulfonic acid or derivatives1-naphthalene sulfonateorganic oxideorganonitrogen compoundorganopnictogen compound1-sulfo,2-unsubstituted aromatic compoundaromatic homopolycyclic compoundsecondary aminemethoxybenzenesecondary aliphatic/aromatic aminesulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativesnaphthalene sulfonateanisolehydrocarbon derivativeorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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