| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:08 UTC |
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| Update Date | 2025-03-25 00:53:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201582 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H13NO2 |
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| Molecular Mass | 167.0946 |
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| SMILES | Cc1cc(C)c(O)c(CN)c1O |
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| InChI Key | WTLFRZVSNLJGCR-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 | phenols |
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| Subclass | benzenediols |
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| Direct Parent | resorcinols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | hydrocarbon derivativesmonoalkylaminesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsortho cresolspara cresolsphenolsm-xylenes |
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| Substituents | monocyclic benzene moietym-xyleneresorcinolaromatic homomonocyclic compoundxyleneorganic oxygen compoundp-cresolo-cresolorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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