| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:32 UTC |
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| Update Date | 2025-03-25 00:46:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154761 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H19NO8 |
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| Molecular Mass | 341.1111 |
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| SMILES | COc1cc2c(cc1O)CN(C1OC(C(=O)O)C(O)C(O)C1O)C2 |
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| InChI Key | ZLCZHICXQSWLSZ-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 | n-glucuronides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisolesazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativeshemiaminalshydrocarbon derivativesisoindolesisoindolinesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssecondary alcohols |
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| Substituents | phenol ethercarbonyl groupethercarboxylic acid1-hydroxy-2-unsubstituted benzenoidmonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acidn-glucuronidehemiaminalbeta-hydroxy acidorganic oxideisoindolinearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesazacycleisoindolehydroxy acidoxacyclemonocarboxylic acid or derivativespyrananisoleisoindole or derivativessecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compound |
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