| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:00 UTC |
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| Update Date | 2025-03-21 18:36:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00110350 |
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| Frequency | 24.2 |
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| Structure | |
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| Chemical Formula | C12H13NO6 |
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| Molecular Mass | 267.0743 |
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| SMILES | O=C(O)C=Cc1[nH]cc(CCC(=O)O)c1CC(=O)O |
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| InChI Key | IAZCVHQFWPPZCG-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 compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrroles |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundazacycleheteroaromatic compoundtricarboxylic acid or derivativesorganic oxideorganic oxygen compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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