| 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 | DMID02204089 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H6N2O3 |
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| Molecular Mass | 214.0378 |
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| SMILES | O=c1oc2cc(O)ccc2c2ncncc12 |
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| InChI Key | PNHBRIYJDLGUGY-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 benzenoidsazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativeslactonesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundspyranones and derivativespyrimidines and pyrimidine derivatives |
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| Substituents | benzopyranazacycle1-benzopyranheteroaromatic compound1-hydroxy-2-unsubstituted benzenoidcoumarinpyrimidinelactoneoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyranorganonitrogen compoundpyranoneorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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