| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:09 UTC |
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| Update Date | 2025-03-25 00:57:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02222543 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H17NO10 |
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| Molecular Mass | 419.0852 |
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| SMILES | O=C1Oc2cc(OC3OC(C(=O)O)C(O)C(O)C3O)ccc2Nc2ccc(O)cc21 |
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| InChI Key | RCXKALBRDVXTNJ-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 | 1,4-oxazepines1-hydroxy-2-unsubstituted benzenoidsacetalsamino acidsazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesglucuronic acid derivativeshydrocarbon derivativeslactonesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesphenol etherspyran carboxylic acidssecondary alcoholssecondary aminesvinylogous amides |
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| Substituents | phenol ethercarbonyl groupcarboxylic acidamino acid or derivativesamino acido-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepyran carboxylic acidlactone1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundalcoholvinylogous amidepyran carboxylic acid or derivativesazacyclehydroxy acidsecondary aminepara-oxazepineoxacyclepyrancarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundamine |
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