| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:42 UTC |
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| Update Date | 2025-03-25 00:48:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02170878 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H24N2O8 |
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| Molecular Mass | 396.1533 |
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| SMILES | CNCCc1c[nH]c2cc(OC3OC(C(=O)O)C(O)C(O)C3O)c(OC)cc12 |
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| InChI Key | YLLLNTWMBXUOND-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 acidsanisolesazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkylaminesglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidspyrrolessecondary alcohols |
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| Substituents | phenol ethercarbonyl groupethercarboxylic acidamino acid or derivativesamino acidindoleo-glucuronidemonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundalcoholsecondary aliphatic aminepyran carboxylic acid or derivativesazacycleheteroaromatic compoundindole or derivativeshydroxy acidsecondary amineoxacyclemonocarboxylic acid or derivativespyrananisolepyrrolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundamine |
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