CHEBI:81855 - Bromadiolone

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ChEBI Name Bromadiolone
ChEBI ID CHEBI:81855
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C30H23BrO4
Net Charge 0
Average Mass 527.40500
Monoisotopic Mass 526.078
InChI InChI=1S/C30H23BrO4/c31-23-16-14-20(15-17-23)19-10-12-22(13-11-19)26(32)18-25(21-6-2-1-3-7-21)28-29(33)24-8-4-5-9-27(24)35-30(28)34/h1-17,25-26,32-33H,18H2
InChIKey OWNRRUFOJXFKCU-UHFFFAOYSA-N
SMILES OC(CC(c1ccccc1)c1c(O)c2ccccc2oc1=O)c1ccc(cc1)-c1ccc(Br)cc1
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
(via diarylheptanoid )
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ChEBI Ontology
Outgoing Bromadiolone (CHEBI:81855) is a diarylheptanoid (CHEBI:78802)
Manual Xrefs Databases
89 PPDB
C18596 KEGG COMPOUND
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Registry Number Type Source
28772-56-7 CAS Registry Number KEGG COMPOUND