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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