| 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 01:01:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02250481 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H17NO7 |
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| Molecular Mass | 323.1005 |
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| SMILES | O=C1Nc2ccccc2OC1OC1CC(O)CC(O)(C(=O)O)C1 |
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| InChI Key | BGMARIMHEONGSK-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | benzoxazines |
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| Subclass | benzoxazinones |
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| Direct Parent | benzoxazinones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | acetalsalpha hydroxy acids and derivativesazacyclic compoundsbenzenoidsbenzomorpholinescarbonyl compoundscarboxylic acidscyclitols and derivativescyclohexanolshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary carboxylic acid amidestertiary alcohols |
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| Substituents | carbonyl grouplactamcarboxylic acidalpha-hydroxy acidcarboxylic acid derivativebenzomorpholineorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundalcoholazacyclecyclohexanolcyclitol or derivativeshydroxy acidcyclic alcoholcarboxamide groupoxazinaneoxacyclesecondary carboxylic acid amidemorpholinetertiary alcoholmonocarboxylic acid or derivativesbenzoxazinoneorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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