| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:34 UTC |
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| Update Date | 2025-03-25 00:53:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200270 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H9NO4 |
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| Molecular Mass | 183.0532 |
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| SMILES | COC(=O)c1ccc(C(=O)OC)[nH]1 |
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| InChI Key | PMRHDIDDAMSGAA-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 carboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesmethyl estersorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compounds |
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| Substituents | aromatic heteromonocyclic compoundazacycleheteroaromatic compoundcarboxylic acid derivativeorganic oxidemethyl esterorganic oxygen compoundpyrrole-2-carboxylic acid or derivativescarboxylic acid esterorganonitrogen compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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