| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:08 UTC |
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| Update Date | 2025-03-25 00:45:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02151432 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H9NO6 |
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| Molecular Mass | 311.043 |
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| SMILES | N#Cc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc1O |
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| InChI Key | ZIBGISBQTSWCHK-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 | flavonoids |
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| Subclass | flavones |
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| Direct Parent | flavonols |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids3-hydroxyflavonoids4'-hydroxyflavonoids5-hydroxyflavonoids7-hydroxyflavonoidsbenzonitrileschromonesflavonoidsheteroaromatic compoundshydrocarbon derivativesnitrilesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundspyranones and derivativesvinylogous acids |
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| Substituents | 3-hydroxyflavonemonocyclic benzene moiety3-hydroxyflavonoidnitrile1-benzopyran1-hydroxy-2-unsubstituted benzenoidorganic oxidechromonearomatic heteropolycyclic compoundorganonitrogen compoundpyranoneorganopnictogen compoundcarbonitrileorganoheterocyclic compoundbenzopyranheteroaromatic compound5-hydroxyflavonoid1-hydroxy-4-unsubstituted benzenoidbenzonitrileoxacyclevinylogous acidorganic oxygen compoundpyran7-hydroxyflavonoid4'-hydroxyflavonoidphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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