| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:36 UTC |
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| Update Date | 2025-03-25 00:56:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02218909 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C23H27NO10 |
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| Molecular Mass | 477.1635 |
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| SMILES | COc1ccc(C2c3cc(O)c(OC4OC(C(=O)O)C(O)C(O)C4O)cc3CCN2C)cc1O |
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| InChI Key | XZGLUKIGWTZTRG-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 | tetrahydroisoquinolines |
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| Subclass | 1-phenyltetrahydroisoquinolines |
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| Direct Parent | 1-phenyltetrahydroisoquinolines |
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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 derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesmonosaccharideso-glucuronidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidssecondary alcoholstrialkylamines |
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| Substituents | phenol ethermonocyclic benzene moietycarboxylic acidamino acid or derivativeso-glucuronidemethoxyphenolmonosaccharidepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidsaccharideacetalorganonitrogen compoundoxanealcoholazacycletertiary aliphatic aminemethoxybenzeneanisolephenolhydrocarbon derivativephenoxy compoundaminecarbonyl groupetherglucuronic acid or derivativesamino acid1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativearalkylamine1-phenyltetrahydroisoquinolineorganic oxidearomatic heteropolycyclic compoundorganopnictogen compoundtertiary aminepyran carboxylic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyransecondary alcoholbenzenoidorganic nitrogen compoundorganooxygen compound |
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