| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:14 UTC |
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| Update Date | 2025-03-25 01:01:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02249939 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H25NO6 |
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| Molecular Mass | 399.1682 |
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| SMILES | COc1ccc2c3c1OC1C(OC(=O)CCC(=O)O)C=CC4C(C2)N(C)CCC341 |
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| InChI Key | YTFGQBAWQOQQBO-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 | morphinans |
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| Subclass | morphinans |
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| Direct Parent | morphinans |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersamino acidsanisolesazacyclic compoundscarbonyl compoundscarboxylic acid esterscarboxylic acidscoumaransdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundsphenanthrenes and derivativespiperidinestetralinstrialkylamines |
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| Substituents | fatty acyltetralinphenol ethercarbonyl groupethercarboxylic acidamino acid or derivativesamino acidalkyl aryl ethercarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundpiperidinetertiary amineorganoheterocyclic compoundcoumaranphenanthreneazacycletertiary aliphatic amineoxacyclefatty acid esterorganic oxygen compoundanisolecarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundmorphinanamineorganooxygen compound |
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