| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 04:30:40 UTC |
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| Update Date | 2025-03-21 23:19:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00699803 |
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| Frequency | 2.2 |
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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 | O=C(CO)Cn1cccc1 |
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| InChI Key | KKVAYBZKKDTBPC-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 | substituted pyrroles |
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| Direct Parent | substituted pyrroles |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alcohols and polyolsalpha-hydroxy ketonesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | alcoholcarbonyl grouparomatic heteromonocyclic compoundazacycleheteroaromatic compoundsubstituted pyrrolealpha-hydroxy ketoneketoneorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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