| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:59:25 UTC |
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| Update Date | 2025-03-21 18:06:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00060822 |
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| Frequency | 51.4 |
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| Structure | |
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| Chemical Formula | C17H21NO3 |
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| Molecular Mass | 287.1521 |
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| SMILES | C=CC1CN2CCC1CC2C(O)c1ccc2c(c1)OCO2 |
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| InChI Key | VVQAUOMVIFCMLA-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 alcoholsazacyclic compoundsbenzenoidshydrocarbon derivativesorganopnictogen compoundsoxacyclic compoundspiperidinesquinuclidinessecondary alcoholstrialkylamines |
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| Substituents | aromatic alcoholalcoholazacycle1,2-aminoalcoholquinuclidinetertiary aliphatic amineoxacycleorganic oxygen compoundacetalaromatic heteropolycyclic compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundpiperidineaminetertiary amineorganooxygen compoundbenzodioxole |
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