| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:32 UTC |
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| Update Date | 2025-03-25 01:01:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02252864 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H29N3O8S |
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| Molecular Mass | 471.1675 |
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| SMILES | NC(CCSCc1cc(CCC(N)C(=O)O)c(CCC(N)C(=O)O)cc1C(=O)O)C(=O)O |
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| InChI Key | NDBCQAWPFRHSPY-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 | tetracarboxylic acids and derivatives |
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| Direct Parent | tetracarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsalpha amino acidsbenzoic acidsbenzoyl derivativescarbonyl compoundsdialkylthioethersfatty acylshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidbenzoylalpha-amino acid or derivativesorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidsulfenyl compounddialkylthioetherbenzoic acid or derivativestetracarboxylic acid or derivativesaromatic homomonocyclic compoundthia fatty acidorganic oxygen compoundthioetherhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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