| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:30 UTC |
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| Update Date | 2025-03-25 00:46:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02156907 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H7NO4 |
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| Molecular Mass | 193.0375 |
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| SMILES | O=C1C=C(C(=O)O)C(c2ccco2)N1 |
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| InChI Key | UBSKEVYUYPTVIY-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 | pyrrolines |
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| Subclass | pyrroline carboxylic acids and derivatives |
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| Direct Parent | pyrroline carboxylic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsfuransheteroaromatic compoundshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary carboxylic acid amides |
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| Substituents | furancarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundazacycleheteroaromatic compoundcarboxamide groupcarboxylic acid derivativeoxacyclesecondary carboxylic acid amideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundpyrroline carboxylic acidorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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