| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:54:25 UTC |
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| Update Date | 2025-03-21 18:04:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00049139 |
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| Frequency | 67.2 |
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| Structure | |
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| Chemical Formula | C13H18N2O2 |
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| Molecular Mass | 234.1368 |
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| SMILES | COc1ccc2[nH]cc(C(O)CN(C)C)c2c1 |
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| InChI Key | PWEUEHKVQYAPGO-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | alkaloids and derivatives |
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| Class | Not Available |
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| Subclass | alkaloids and derivatives |
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| Direct Parent | alkaloids and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,2-aminoalcoholsalkyl aryl ethersanisolesaromatic alcoholsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesindolesorganopnictogen compoundspyrrolessecondary alcoholstrialkylamines |
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| Substituents | aromatic alcoholphenol etheretherindolealkyl aryl etheraromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundtertiary amineorganoheterocyclic compoundalcoholazacycle1,2-aminoalcoholheteroaromatic compoundtertiary aliphatic amineindole or derivativesalkaloid or derivativesorganic oxygen compoundanisolepyrrolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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