| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:59 UTC |
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| Update Date | 2025-03-25 00:54:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02203487 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H23NO8 |
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| Molecular Mass | 357.1424 |
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| SMILES | O=C(O)CCCc1ccc(C(=O)O)n1CCC(O)CC(O)CC(=O)O |
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| InChI Key | ZWANWOGNDOZUIA-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 | tricarboxylic acids and derivatives |
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| Direct Parent | tricarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrole 2-carboxylic acidspyrrole carboxylic acids and derivativessecondary alcoholssubstituted pyrroles |
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| Substituents | alcoholcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundazacycleheteroaromatic compoundtricarboxylic acid or derivativessubstituted pyrrolehydroxy acidbeta-hydroxy acidorganic oxidepyrrole-2-carboxylic acidorganic oxygen compoundpyrrole-2-carboxylic acid or derivativespyrroleorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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