| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:04 UTC |
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| Update Date | 2025-03-25 00:56:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02217687 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H23NO5 |
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| Molecular Mass | 321.1576 |
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| SMILES | COc1ccc(C(O)C2CC3CCN2CC3C(=O)O)cc1OC |
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| InChI Key | CQSFCFMLOIYQLH-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | methoxybenzenes |
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| Direct Parent | dimethoxybenzenes |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,2-aminoalcoholsalkyl aryl ethersamino acidsanisolesaromatic alcoholsazacyclic compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenoxy compoundspiperidinecarboxylic acidspiperidinesquinuclidinessecondary alcoholstrialkylamines |
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| Substituents | aromatic alcoholphenol ethercarbonyl groupethercarboxylic acidamino acid or derivativesamino acidquinuclidinealkyl aryl ethercarboxylic acid derivativedimethoxybenzeneorganic oxidearomatic heteropolycyclic compoundo-dimethoxybenzeneorganonitrogen compoundorganopnictogen compoundpiperidinecarboxylic acidpiperidinetertiary amineorganoheterocyclic compoundalcoholazacycle1,2-aminoalcoholtertiary aliphatic aminemonocarboxylic acid or derivativesorganic oxygen compoundanisolesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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