| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:00 UTC |
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| Update Date | 2025-03-25 00:47:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162418 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H15NO8 |
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| Molecular Mass | 313.0798 |
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| SMILES | O=C(O)CC(=O)CC(O)CCn1c(C(=O)O)ccc1C(=O)O |
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| InChI Key | PGISSTBYWXRULR-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 ketonesbeta-keto acids and derivativescarboxylic acidsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrole 2-carboxylic acidspyrrole carboxylic acids and derivativessecondary alcoholssubstituted pyrroles |
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| Substituents | beta-hydroxy ketonecarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundtricarboxylic acid or derivativessubstituted pyrrolebeta-keto acidketoneorganic oxidepyrrole-2-carboxylic acidpyrrole-2-carboxylic acid or derivativesorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundalcoholazacycleheteroaromatic compoundorganic oxygen compoundketo acidpyrrolesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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