| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 01:38:04 UTC |
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| Update Date | 2025-03-21 19:59:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00292234 |
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| Frequency | 6.8 |
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| Structure | |
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| Chemical Formula | C7H9NO2 |
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| Molecular Mass | 139.0633 |
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| SMILES | Cc1c[nH]c(C)c1C(=O)O |
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| InChI Key | XBPJVSRTTKVMEN-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 |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsvinylogous amides |
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| Substituents | vinylogous amidecarboxylic acidaromatic heteromonocyclic compoundazacycleheteroaromatic compoundcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative1-carboxy-2-haloaromatic compoundorganic nitrogen compoundpyrrole-3-carboxylic acidorganooxygen compound |
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