| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:56 UTC |
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| Update Date | 2025-03-21 18:41:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00133944 |
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| Frequency | 18.8 |
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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 | CNCCc1ccc2c(c1)OCO2 |
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| InChI Key | OPJOMVMFYOUDPK-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 | benzodioxoles |
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| Subclass | benzodioxoles |
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| Direct Parent | benzodioxoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | acetalsbenzenoidsdialkylamineshydrocarbon derivativesorganooxygen compoundsorganopnictogen compoundsoxacyclic compounds |
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| Substituents | secondary aliphatic aminesecondary amineoxacycleorganic oxygen compoundacetalaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundaminebenzodioxole |
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