| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:55 UTC |
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| Update Date | 2025-03-25 01:01:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02249202 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H19NO4 |
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| Molecular Mass | 253.1314 |
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| SMILES | COc1cc(C(O)CNC(C)C)cc2c1OCO2 |
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| InChI Key | RBUNIYVSPYBQIP-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 | acetalsalkyl aryl ethersanisolesaromatic alcoholsdialkylamineshydrocarbon derivativesorganopnictogen compoundsoxacyclic compoundssecondary alcohols |
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| Substituents | aromatic alcoholalcoholphenol ethersecondary aliphatic amineetheralkyl aryl ethersecondary amineoxacycleorganic oxygen compoundacetalaromatic heteropolycyclic compoundanisoleorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundaminebenzodioxole |
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