| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:47:22 UTC |
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| Update Date | 2025-03-25 00:49:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02172433 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C30H40N4O8S |
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| Molecular Mass | 616.2567 |
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| SMILES | CCC1=C(C)C(=O)NC1Cc1[nH]c(Cc2[nH]c(CC3C=C(C)OS(=O)(=O)N3)c(C)c2CCC(=O)O)c(CCC(=O)O)c1C |
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| InChI Key | MHJITODGEXOYAU-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | dicarboxylic acids and derivatives |
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| Direct Parent | dicarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeslactamsorganic oxidesorganic sulfuric acids and derivativesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspyrrolespyrrolinessecondary carboxylic acid amides |
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| Substituents | carbonyl grouplactamcarboxylic acidorganic sulfuric acid or derivativesaromatic heteromonocyclic compoundazacycleheteroaromatic compoundcarboxamide groupoxacyclesecondary carboxylic acid amideorganic oxideorganic oxygen compoundpyrrolinepyrroleorganonitrogen compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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