| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:35 UTC |
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| Update Date | 2025-03-25 00:47:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02161490 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H14N2O3 |
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| Molecular Mass | 198.1004 |
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| SMILES | NCc1cc(CO)c(CN)c(O)c1O |
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| InChI Key | QXCNUARLOMSASD-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzyl alcohols |
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| Direct Parent | benzyl alcohols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-4-unsubstituted benzenoidsaromatic alcoholshydrocarbon derivativesmonoalkylaminesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | aromatic alcoholalcoholbenzyl alcohol1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundphenolhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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