| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:47:20 UTC |
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| Update Date | 2025-03-25 00:49:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02172336 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H13NO2 |
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| Molecular Mass | 179.0946 |
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| SMILES | CCC1NCc2cc(O)c(O)cc21 |
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| InChI Key | KRYMOHWBAWHHOR-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 | isoindoles and derivatives |
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| Subclass | isoindoles |
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| Direct Parent | isoindoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsazacyclic compoundsbenzenoidsdialkylamineshydrocarbon derivativesisoindolinesorganooxygen compoundsorganopnictogen compounds |
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| Substituents | secondary aliphatic amineazacycleisoindole1-hydroxy-2-unsubstituted benzenoidsecondary amineorganic oxygen compoundisoindolinearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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