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CHEBI:138817 - Kylinone

ChEBI IDCHEBI:138817
ChEBI NameKylinone
Stars
Last Modified25 October 2017
Submittermwilliams
DownloadsMolfile
FormulaC15H21Br2ClO
Net Charge0
Average Mass412.593
Monoisotopic Mass409.96477
SMILESC[C@H]1C=C(Br)C(C)(C)[C@]2(CC[C@](C)(Cl)[C@@H](Br)C2)C1=O
InChIInChI=1S/C15H21Br2ClO/c1-9-7-10(16)13(2,3)15(12(9)19)6-5-14(4,18)11(17)8-15/h7,9,11H,5-6,8H2,1-4H3/t9-,11-,14-,15-/m0/s1
InChIKeyHMWLZIQJSYGFHO-YIVQXAGMSA-N
ChEBI Ontology
Outgoing Relation(s)
Kylinone (CHEBI:138817) is a cyclohexenones (CHEBI:48953)
Manual XrefsDatabases
10266595ChemSpider