| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:59 UTC |
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| Update Date | 2025-03-25 00:48:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02167033 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H9NO5 |
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| Molecular Mass | 211.0481 |
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| SMILES | CC(=O)c1[nH]c(C(=O)O)c(C)c1C(=O)O |
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| InChI Key | DIAVRUHKLCDBMH-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | pyrroles |
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| Subclass | pyrrole carboxylic acids and derivatives |
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| Direct Parent | pyrrole 2-carboxylic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsaryl alkyl ketonesazacyclic compoundsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsvinylogous amides |
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| Substituents | carboxylic acidaryl alkyl ketonearomatic heteromonocyclic compoundcarboxylic acid derivativeketoneorganic oxidepyrrole-2-carboxylic acidorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundvinylogous amideazacycleheteroaromatic compoundorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundaryl ketone |
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