| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:15 UTC |
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| Update Date | 2025-03-25 00:54:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02204091 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H7NO6 |
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| Molecular Mass | 273.0273 |
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| SMILES | O=c1oc2cc(O)ccc2c2cc(O)c([N+](=O)[O-])cc12 |
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| InChI Key | FFMMNLZALRQBCW-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | coumarins and derivatives |
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| Subclass | coumarins and derivatives |
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| Direct Parent | coumarins and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyrans1-hydroxy-2-unsubstituted benzenoids2-benzopyransbenzenoidsheteroaromatic compoundshydrocarbon derivativesisocoumarins and derivativeslactonesnitroaromatic compoundsorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundspropargyl-type 1,3-dipolar organic compoundspyranones and derivatives |
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| Substituents | 1-benzopyranallyl-type 1,3-dipolar organic compound1-hydroxy-2-unsubstituted benzenoidorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundlactoneorganic oxidearomatic heteropolycyclic compoundc-nitro compoundorganonitrogen compoundpyranoneorganopnictogen compoundorganic oxoazaniumorganoheterocyclic compoundnitroaromatic compoundbenzopyranheteroaromatic compoundorganic 1,3-dipolar compoundisocoumarincoumarinoxacycleorganic oxygen compoundpyran2-benzopyranhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundorganic hyponitrite |
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