| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:22:35 UTC |
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| Update Date | 2025-03-21 18:37:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00116621 |
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| Frequency | 22.5 |
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| Structure | |
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| Chemical Formula | C23H27NO8 |
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| Molecular Mass | 445.1737 |
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| SMILES | CN1CCC23c4c5cccc4OC2C(OC2OC(C(=O)O)C(O)C(O)C2O)C=CC3C1C5 |
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| InChI Key | LTLDDICIOHKDEG-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 | acetalsalkyl aryl ethersamino acidsazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidscoumaransglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharideso-glucuronidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesphenanthrenes and derivativespiperidinespyran carboxylic acidssecondary alcoholstetralinstrialkylamines |
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| Substituents | tetralincarbonyl groupethercarboxylic acidglucuronic acid or derivativesamino acid or derivativesamino acido-glucuronidemonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundoxanepiperidinetertiary amineorganoheterocyclic compoundcoumaranalcoholphenanthrenepyran carboxylic acid or derivativesazacycletertiary aliphatic aminehydroxy acidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyransecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundmorphinanamineorganooxygen compound |
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