| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:41 UTC |
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| Update Date | 2025-03-25 00:46:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157315 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H12ClNO8 |
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| Molecular Mass | 345.0251 |
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| SMILES | O=C1Nc2ccc(Cl)cc2OC1OC1OC(C(=O)O)C(O)C1O |
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| InChI Key | XKMAPYLXRUQNFU-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 | 1,2-diolsacetalsaryl chloridesazacyclic compoundsbenzenoidsbenzomorpholinesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary alcoholssecondary carboxylic acid amidestetrahydrofurans |
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| Substituents | carbonyl grouplactamcarboxylic acidorganochloridemonosaccharidecarboxylic acid derivativeorganohalogen compoundbenzomorpholinebeta-hydroxy acidsaccharideorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound1,2-diolaryl chloridealcoholazacycletetrahydrofuranhydroxy acidcarboxamide groupoxazinanearyl halideoxacyclesecondary carboxylic acid amidemorpholinemonocarboxylic acid or derivativesbenzoxazinoneorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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