| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:10 UTC |
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| Update Date | 2025-03-25 00:59:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02238217 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H13NO7 |
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| Molecular Mass | 295.0692 |
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| SMILES | O=C(O)CCC(OC1Oc2ccccc2NC1=O)C(=O)O |
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| InChI Key | WJRZGDXVPLYCMV-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 | acetalsazacyclic compoundsbenzenoidsbenzomorpholinescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary carboxylic acid amides |
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| Substituents | carbonyl grouplactamcarboxylic acidcarboxylic acid derivativebenzomorpholineorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundazacyclecarboxamide groupoxazinaneoxacyclesecondary carboxylic acid amidemorpholinebenzoxazinoneorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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