| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:30 UTC |
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| Update Date | 2025-03-21 18:38:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00118862 |
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| Frequency | 22.0 |
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| Structure | |
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| Chemical Formula | C24H29NO10 |
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| Molecular Mass | 491.1791 |
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| SMILES | COc1cc2c(cc1O)C(Cc1ccc(OC3OC(C(=O)O)C(O)C(O)C3O)c(O)c1)N(C)CC2 |
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| InChI Key | MJWOVFKUHMKYJT-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | isoquinolines and derivatives |
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| Subclass | benzylisoquinolines |
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| Direct Parent | benzylisoquinolines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsalkyl aryl ethersamino acidsanisolesaralkylaminesazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharideso-glucuronidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidssecondary alcoholstetrahydroisoquinolinestrialkylamines |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidglucuronic acid or derivativesamino acid or derivativesamino acido-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acidaralkylamine1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundoxanetertiary aminealcoholpyran carboxylic acid or derivativesazacycletertiary aliphatic aminehydroxy acid1-hydroxy-4-unsubstituted benzenoidbenzylisoquinolineoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyrananisolesecondary alcoholphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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