| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:18 UTC |
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| Update Date | 2025-03-25 00:45:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02149467 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C24H30N2O9 |
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| Molecular Mass | 490.1951 |
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| SMILES | COc1ccc2c3c1OC1C(OC4OC(C(=O)O)C(O)C(O)C4O)C=CC4NC(C2)N(C)CCC341 |
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| InChI Key | YUCKMRHQGJJHKH-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 | 1,3-diazepanesacetalsalkyl aryl ethersaminalsamino acidsanisolesazacyclic compoundsazepinesbenzazepinesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidscoumaransdialkylaminesglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssecondary alcohols |
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| Substituents | phenol ethercarbonyl groupethercarboxylic acidamino acid or derivativesamino acido-glucuronidemonosaccharidediazepaneaminalalkyl aryl ethercarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundcoumaranalcohol1,3-diazepanesecondary aliphatic aminepyran carboxylic acid or derivativesazacyclehydroxy acidsecondary amineoxacyclemonocarboxylic acid or derivativesazepinepyrananisolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundbenzazepineamine |
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