| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:50 UTC |
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| Update Date | 2025-03-21 18:38:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00119622 |
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| Frequency | 21.8 |
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| Structure | |
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| Chemical Formula | C25H31NO9 |
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| Molecular Mass | 489.1999 |
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| SMILES | COc1ccc2c3c1OC1C(OC4OC(C(=O)O)C(O)C(O)C4O)C=CC4C(CC2)N(C)CCC341 |
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| InChI Key | LHLQZHSVMCIUPA-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbohydrates and carbohydrate conjugates |
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| Direct Parent | o-glucuronides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | acetalsalkyl aryl ethersamino acidsanisolesazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidscoumaransglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanespiperidinespyran carboxylic acidssecondary alcoholstrialkylamines |
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| Substituents | phenol ethercarbonyl groupethercarboxylic acidamino acid or derivativesamino acido-glucuronidemonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundoxanepiperidinetertiary amineorganoheterocyclic compoundcoumaranalcoholpyran carboxylic acid or derivativesazacycletertiary aliphatic aminehydroxy acidoxacyclemonocarboxylic acid or derivativespyrananisolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundamine |
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