| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:43 UTC |
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| Update Date | 2025-03-25 01:00:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02241780 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H13NO4 |
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| Molecular Mass | 223.0845 |
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| SMILES | CC(O)C(O)C1=NCOc2cc(O)ccc21 |
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| InChI Key | CLKUTMFXXNOXJF-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 | benzoxazines |
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| Direct Parent | benzoxazines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,2-diols1-hydroxy-2-unsubstituted benzenoidsazacyclic compoundsbenzenoidshydrocarbon derivativesketiminesorganopnictogen compoundsoxacyclic compoundspropargyl-type 1,3-dipolar organic compoundssecondary alcohols |
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| Substituents | alcoholketimineazacycleimine1-hydroxy-2-unsubstituted benzenoidbenzoxazineorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundoxacycleorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound1,2-diol |
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