| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:26 UTC |
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| Update Date | 2025-03-25 00:55:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02213948 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H19NO3 |
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| Molecular Mass | 237.1365 |
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| SMILES | CCN(CC)CC(O)c1ccc2c(c1)OCO2 |
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| InChI Key | VCKNEHHKPWOHJD-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 | 1,2-aminoalcoholsacetalsaromatic alcoholsbenzenoidshydrocarbon derivativesorganopnictogen compoundsoxacyclic compoundssecondary alcoholstrialkylamines |
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| Substituents | aromatic alcoholalcohol1,2-aminoalcoholtertiary aliphatic amineoxacycleorganic oxygen compoundacetalaromatic heteropolycyclic compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundaminetertiary amineorganooxygen compoundbenzodioxole |
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