| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:49:20 UTC |
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| Update Date | 2025-03-21 18:02:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00036955 |
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| Frequency | 95.5 |
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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=c1[nH]c2ccccc2c(=O)o1 |
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| InChI Key | TXJUTRJFNRYTHH-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 | azacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativeslactonesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundsvinylogous amides |
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| Substituents | vinylogous amidecarbonic acid derivativeazacycleheteroaromatic compoundbenzoxazinelactoneoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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