| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:42 UTC |
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| Update Date | 2025-03-25 00:49:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02177862 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H5NO3 |
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| Molecular Mass | 187.0269 |
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| SMILES | N#Cc1c(O)c2ccccc2oc1=O |
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| InChI Key | XBBPVYNBMMBFNJ-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 | hydroxycoumarins |
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| Direct Parent | 4-hydroxycoumarins |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyransbenzenoidscoumarins and derivativesheteroaromatic compoundshydrocarbon derivativeslactonesnitrilesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundspyranones and derivativesvinylogous acids |
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| Substituents | 4-hydroxycoumarinbenzopyrannitrile1-benzopyranheteroaromatic compoundlactoneoxacyclevinylogous acidorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyranorganonitrogen compoundpyranoneorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundcarbonitrileorganoheterocyclic compoundorganooxygen compound |
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