| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:28 UTC |
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| Update Date | 2025-03-25 01:01:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02250480 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H15NO8 |
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| Molecular Mass | 325.0798 |
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| SMILES | O=C1Nc2ccccc2OC1OC1C(CO)OC(=O)C(O)C1O |
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| InChI Key | UOHOLORZXDCUKL-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 | gluconolactones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | acetalsazacyclic compoundsbenzenoidsbenzomorpholinesbenzoxazinonescarbonyl compoundscarboxylic acid estersdelta valerolactoneshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | carbonyl grouplactamdelta valerolactonecarboxylic acid derivativebenzomorpholinelactoneorganic oxidegluconolactoneacetalaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundoxaneprimary alcoholdelta_valerolactoneorganoheterocyclic compoundalcoholazacyclebenzoxazinecarboxamide groupoxazinaneoxacyclesecondary carboxylic acid amidemorpholinemonocarboxylic acid or derivativesbenzoxazinonecarboxylic acid estersecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compound |
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