input word = C00021355

Metabolite InformationStructural formula
Name Bakkenolide D
S-Fukinolide
Formula C21H28O6S
Mw 408.16065936
CAS RN 18456-03-6
C_ID C00021355 ,
InChIKey LWHLMCCRIWZBQO-OYGZZHHTNA-N
InChICode InChI=1S/C21H28O6S/c1-12-6-7-15(27-16(23)8-9-28-5)17-18(26-14(3)22)21(11-20(12,17)4)13(2)10-25-19(21)24/h8-9,12,15,17-18H,2,6-7,10-11H2,1,3-5H3/b9-8-/t12-,15-,17+,18+,20+,21+/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\SC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePetasites japonicus Ref.
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