| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:38 UTC |
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| Update Date | 2025-03-21 18:35:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00106998 |
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| Frequency | 25.2 |
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| Structure | |
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| Chemical Formula | C13H13NO9 |
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| Molecular Mass | 327.059 |
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| SMILES | O=C1Nc2ccccc2OC1OC1OC(O)C(O)C(C(=O)O)O1 |
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| InChI Key | HPJANXWRJKUZJH-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 | 1,3-dioxanesacetalsazacyclic compoundsbenzenoidsbenzomorpholinesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid orthoesterscarboxylic acidshemiacetalshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsortho estersoxacyclic compoundssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | carbonyl grouplactamcarboxylic acidortho estercarboxylic acid orthoestercarboxylic acid derivativebenzomorpholinebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhemiacetalorthocarboxylic acid derivativealcoholazacyclehydroxy acidcarboxamide groupoxazinaneoxacyclesecondary carboxylic acid amidemorpholinemonocarboxylic acid or derivativesbenzoxazinoneorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundmeta-dioxaneorganooxygen compound |
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