| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:17 UTC |
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| Update Date | 2025-03-25 00:57:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02222822 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H13NO4 |
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| Molecular Mass | 199.0845 |
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| SMILES | O=Cc1cccn1CC(O)C(O)CO |
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| InChI Key | CAPRZHRHPPNAAM-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 derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary alcoholssecondary alcoholssubstituted pyrroles |
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| Substituents | alcoholaromatic heteromonocyclic compoundazacycleheteroaromatic compoundsubstituted pyrroleorganic oxidearyl-aldehydepyrroleorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundprimary alcoholorganoheterocyclic compound |
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