| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:14 UTC |
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| Update Date | 2025-03-25 00:56:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220415 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H9NO2 |
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| Molecular Mass | 163.0633 |
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| SMILES | COC1=Nc2ccccc2OC1 |
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| InChI Key | QQXBBHKXHNNSFT-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 | alkyl aryl ethersazacyclic compoundsbenzenoidshydrocarbon derivativesimidolactonesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | etherazacyclebenzoxazineorganic 1,3-dipolar compoundalkyl aryl etherpropargyl-type 1,3-dipolar organic compoundoxacycleorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeimidolactonebenzenoidorganic nitrogen compoundorganooxygen compound |
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