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CHEBI:175120 - Bakkenolide B

ChEBI IDCHEBI:175120
ChEBI NameBakkenolide B
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FormulaC22H30O6
Net Charge0
Average Mass390.476
Monoisotopic Mass390.20424
SMILES[H][C@]12[C@@H](OC(=O)/C(C)=C\C)CC[C@H](C)[C@@]1(C)C[C@@]1(C(=C)COC1=O)[C@@H]2OC(C)=O
InChIInChI=1S/C22H30O6/c1-7-12(2)19(24)28-16-9-8-13(3)21(6)11-22(14(4)10-26-20(22)25)18(17(16)21)27-15(5)23/h7,13,16-18H,4,8-11H2,1-3,5-6H3/b12-7-/t13-,16-,17+,18+,21+,22+/m0/s1
InChIKeyAVAGQVZSHJYDED-RRIKAWJQSA-N
ChEBI Ontology
Outgoing Relation(s)
Bakkenolide B (CHEBI:175120) is a terpene lactone (CHEBI:37668)
IUPAC Name 
[(2R,3R,3aR,4S,7S,7aR)-3-acetyloxy-7,7a-dimethyl-4'-methylidene-2'-oxospiro[3,3a,4,5,6,7-hexahydro-1H-indene-2,3'-oxolane]-4-yl] (Z)-2-methylbut-2-enoate
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