| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:55 UTC |
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| Update Date | 2025-03-21 18:38:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00122173 |
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| Frequency | 21.2 |
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| Structure | |
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| Chemical Formula | C15H9BrO3 |
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| Molecular Mass | 315.9735 |
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| SMILES | O=c1c(-c2ccc(Br)cc2)coc2cc(O)ccc12 |
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| InChI Key | NGCRKXKWFTUSKG-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 | isoflavonoids |
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| Subclass | isoflav-2-enes |
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| Direct Parent | isoflavones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsaryl bromidesbromobenzeneschromonesheteroaromatic compoundshydrocarbon derivativesisoflavonoidsorganic oxidesorganobromidesorganooxygen compoundsoxacyclic compoundspyranones and derivatives |
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| Substituents | monocyclic benzene moiety1-benzopyran1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundorganic oxidechromonearomatic heteropolycyclic compoundpyranoneorganoheterocyclic compoundisoflavonebenzopyranheteroaromatic compoundbromobenzenearyl halideoxacycleorganic oxygen compoundpyranorganobromidehydrocarbon derivativebenzenoidhalobenzenearyl bromideorganooxygen compound |
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