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CHEBI:165257 - Bromovulone I

ChEBI IDCHEBI:165257
ChEBI NameBromovulone I
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FormulaC21H29BrO4
Net Charge0
Average Mass425.363
Monoisotopic Mass424.12492
SMILESCCCCC/C=C\C[C@@]1(O)C=C(Br)C(=O)/C1=C/C=C\CCCC(=O)OC
InChIInChI=1S/C21H29BrO4/c1-3-4-5-6-9-12-15-21(25)16-18(22)20(24)17(21)13-10-7-8-11-14-19(23)26-2/h7,9-10,12-13,16,25H,3-6,8,11,14-15H2,1-2H3/b10-7-,12-9-,17-13-/t21-/m1/s1
InChIKeySEUGRXZAXYVQIH-DJKWDOPVSA-N
ChEBI Ontology
Outgoing Relation(s)
Bromovulone I (CHEBI:165257) is a clavulone (CHEBI:36092)
IUPAC Name 
methyl (Z,7E)-7-[(2R)-4-bromo-2-hydroxy-2-[(Z)-oct-2-enyl]-5-oxocyclopent-3-en-1-ylidene]hept-5-enoate
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