| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:11:23 UTC |
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| Update Date | 2025-03-25 00:57:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02227453 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C23H31NO8 |
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| Molecular Mass | 449.205 |
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| SMILES | C=CC1CN2CCC1CC2Cc1ccc(OC)c(OC2OC(C(=O)O)C(O)C(O)C2O)c1 |
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| InChI Key | JNUBZAJJTGNZJK-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 | 2-benzylpiperidinesacetalsalkyl aryl ethersamino acidsanisolesazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativeshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidsquinuclidinessecondary alcoholstrialkylamines |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupether2-benzylpiperidinecarboxylic acidamino acid or derivativesamino acidquinuclidineo-glucuronidemonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundoxanepiperidinetertiary amineorganoheterocyclic compoundalcoholbenzylpiperidinepyran carboxylic acid or derivativesazacycletertiary aliphatic aminehydroxy acidmethoxybenzeneoxacyclemonocarboxylic acid or derivativespyrananisolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundamine |
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