| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:13 UTC |
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| Update Date | 2025-03-25 00:46:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154021 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H25NO4 |
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| Molecular Mass | 355.1784 |
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| SMILES | COc1ccc2cccc(C(O)C3CCC4CCN3C(C(=O)O)C4)c2c1 |
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| InChI Key | IUFGWJJASJBWAY-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 | naphthalenes |
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| Subclass | naphthalenes |
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| Direct Parent | naphthalenes |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,2-aminoalcoholsalkyl aryl ethersalpha amino acidsamino acidsanisolesaromatic alcoholsazacyclic compoundsazepanescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspiperidinecarboxylic acidspiperidinessecondary alcoholstrialkylamines |
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| Substituents | aromatic alcoholphenol ethercarbonyl groupethercarboxylic acidamino acid or derivativesamino acidalpha-amino acid or derivativesalkyl aryl ethercarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundalpha-amino acidorganonitrogen compoundorganopnictogen compoundpiperidinecarboxylic acidpiperidinetertiary amineorganoheterocyclic compoundalcoholazacycle1,2-aminoalcoholtertiary aliphatic aminemonocarboxylic acid or derivativesazepanenaphthaleneorganic oxygen compoundanisolesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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