| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:54 UTC |
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| Update Date | 2025-03-25 00:50:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02182830 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H7NO4 |
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| Molecular Mass | 229.0375 |
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| SMILES | O=c1[nH]c2c(ccc3c(O)cccc32)c(=O)o1 |
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| InChI Key | ZJHMEBSKTKWIGS-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | naphthalenes |
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| Subclass | naphthols and derivatives |
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| Direct Parent | naphthols and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsazacyclic compoundsbenzoxazinesheteroaromatic 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 benzenoidbenzoxazine1-hydroxy-4-unsubstituted benzenoidlactoneoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative1-naphtholorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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