input word = C00021353

Metabolite InformationStructural formula
Name Bakkenolide B
Fukinolide
Formula C22H30O6
Mw 390.20423869
CAS RN 18455-98-6
C_ID C00021353 ,
InChIKey AVAGQVZSHJYDED-BPAAWMMANA-N
InChICode InChI=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
SMILES C1C[C@@H]([C@H]2[C@@]([C@H]1C)(C[C@@]1([C@@H]2OC(=O)C)C(=O)OCC1=C)C)OC(=O)/C(=C\C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePetasites japonicus Ref.
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