| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:02:38 UTC |
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| Update Date | 2025-03-21 18:07:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00068473 |
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| Frequency | 51.8 |
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| Structure | |
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| Chemical Formula | C8H5NO4 |
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| Molecular Mass | 179.0219 |
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| SMILES | O=c1[nH]c2ccc(O)cc2c(=O)o1 |
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| InChI Key | JYDXUDOZEQAXBH-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 benzenoidsazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativeslactonesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundsvinylogous amides |
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| Substituents | vinylogous amidecarbonic acid derivativeazacycleheteroaromatic compound1-hydroxy-2-unsubstituted benzenoidbenzoxazinelactoneoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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