| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 11:20:56 UTC |
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| Update Date | 2025-03-24 21:08:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01684452 |
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| Frequency | 0.7 |
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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(O)c(C=O)cn1C |
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| InChI Key | MWMKDSMEOXWGIS-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | aryl-aldehydes |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesn-methylpyrrolesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundssubstituted pyrrolesvinylogous acidsvinylogous amides |
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| Substituents | vinylogous amiden-methylpyrrolearomatic heteromonocyclic compoundazacycleheteroaromatic compoundsubstituted pyrrolevinylogous acidorganic oxidearyl-aldehydepyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compound |
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