| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:17 UTC |
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| Update Date | 2025-03-25 00:48:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02167680 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C33H36N2O9S |
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| Molecular Mass | 636.2142 |
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| SMILES | CC(C)c1c(C(=O)Nc2ccc(O)cc2)c(-c2ccccc2)c(-c2ccc(S(=O)(=O)O)cc2)n1CCC(O)CC(O)CC(=O)O |
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| InChI Key | AQXJDTCYUFLOAK-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 | anilides |
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| Direct Parent | aromatic anilides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-sulfo,2-unsubstituted aromatic compoundsarylsulfonic acids and derivativesazacyclic compoundsbenzenesulfonic acids and derivativesbenzenesulfonyl compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonic acidspyrrole carboxamidessecondary alcoholssecondary carboxylic acid amidessubstituted pyrrolessulfonylsvinylogous amides |
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| Substituents | fatty acylorganosulfonic acid or derivativescarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpyrrole-3-carboxylic acid or derivativesheterocyclic fatty acidorganosulfonic acid1-hydroxy-2-unsubstituted benzenoidfatty acidsubstituted pyrrolebenzenesulfonateorganosulfur compoundcarboxylic acid derivativemedium-chain hydroxy acidaromatic anilidebeta-hydroxy acidorganic oxideorganonitrogen compoundpyrrole-3-carboxamideorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidorganoheterocyclic compoundbenzenesulfonyl groupalcoholvinylogous amide1-sulfo,2-unsubstituted aromatic compoundazacycleheteroaromatic compoundhydroxy acidcarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativessulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativespyrrolesecondary alcoholphenolhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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