| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:19:07 UTC |
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| Update Date | 2025-03-25 01:00:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02245051 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H25NO8 |
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| Molecular Mass | 431.158 |
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| SMILES | CN1CCC23c4c5cccc4C1C2C=CC(OC1OC(C(=O)O)C(O)C(O)C1O)C3O5 |
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| InChI Key | VEYZYNNVXLBBTA-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 | acetalsalkyl aryl ethersamino acidsaralkylaminesazacyclic compoundsazepinesbenzazepinesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidscoumaransfluorenesglucuronic acid derivativeshydrocarbon derivativesindanesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanespiperidinespyran carboxylic acidssecondary alcoholstrialkylamines |
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| Substituents | fluorenecarbonyl groupethercarboxylic acidamino acid or derivativesamino acido-glucuronidemonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acidaralkylamine1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundoxanepiperidinetertiary amineorganoheterocyclic compoundcoumaranalcoholpyran carboxylic acid or derivativesazacycletertiary aliphatic aminehydroxy acidoxacyclemonocarboxylic acid or derivativesazepinepyranindanesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundbenzazepineamine |
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