| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:05 UTC |
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| Update Date | 2025-03-21 18:35:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00105622 |
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| Frequency | 25.6 |
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| Structure | |
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| Chemical Formula | C9H5BrO2 |
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| Molecular Mass | 223.9473 |
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| SMILES | O=c1ccc2cc(Br)ccc2o1 |
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| InChI Key | XXRJDOQENVGLJT-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-benzopyransaryl bromidesbenzenoidsheteroaromatic compoundshydrocarbon derivativeslactonesorganic oxidesorganobromidesorganooxygen compoundsoxacyclic compoundspyranones and derivatives |
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| Substituents | benzopyran1-benzopyranheteroaromatic compoundorganohalogen compoundcoumarinaryl halidelactoneoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyranpyranoneorganobromidehydrocarbon derivativebenzenoidaryl bromideorganoheterocyclic compoundorganooxygen compound |
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