| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:11:16 UTC |
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| Update Date | 2025-03-25 00:57:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02227189 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C28H35N3O7S |
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| Molecular Mass | 557.2196 |
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| SMILES | CC(C)CN(CC(O)C(Cc1ccccc1)NC(=O)OC1CCOC1)S(=O)(=O)c1cccc2ccc(O)nc12 |
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| InChI Key | QDGIOLYTOKIEKI-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | quinolines and derivatives |
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| Subclass | quinolones and derivatives |
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| Direct Parent | quinolones and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesaminosulfonyl compoundsamphetamines and derivativesazacyclic compoundscarbamate esterscarbonyl compoundsdialkyl ethersheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamidesoxacyclic compoundsphenylbutylaminespolyhalopyridinessecondary alcoholstetrahydrofurans |
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| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietycarbonyl groupetherpolyhalopyridineorganosulfur compounddialkyl etherorganosulfonic acid amideorganic oxidephenylbutylaminearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridineamphetamine or derivativesalcoholquinolonecarbonic acid derivativeazacycleaminosulfonyl compoundtetrahydrofuranheteroaromatic compoundhydroxypyridinecarbamic acid estermethylpyridineoxacyclesulfonylpyridineorganic oxygen compoundorganic sulfonic acid or derivativessecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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