| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:57 UTC |
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| Update Date | 2025-03-21 18:41:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00133973 |
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| Frequency | 18.8 |
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| Structure | |
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| Chemical Formula | C8H5NO3 |
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| Molecular Mass | 163.0269 |
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| SMILES | O=c1ocnc2c(O)cccc12 |
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| InChI Key | TWWHJCULOFWJRB-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-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativeslactonesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compounds |
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| Substituents | azacycleheteroaromatic compound1-hydroxy-2-unsubstituted benzenoidbenzoxazine1-hydroxy-4-unsubstituted benzenoidlactoneoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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