input word = C00038961

Metabolite InformationStructural formula
Name Deisobutyryl bakkenolide H
(-)-Deisobutyryl bakkenolide H
Formula C19H28O5
Mw 336.193674
CAS RN 226711-46-2
C_ID C00038961 ,
InChIKey DOYNORUEQQEQAA-ZVLAGEIYNA-N
InChICode InChI=1S/C19H28O5/c1-10(2)16(21)24-13-7-6-11(3)18(5)9-19(15(20)14(13)18)12(4)8-23-17(19)22/h10-11,13-15,20H,4,6-9H2,1-3,5H3/t11-,13-,14+,15+,18+,19+/m0/s1
SMILES C1C[C@@H]([C@H]2[C@@]([C@H]1C)(C[C@@]1([C@@H]2O)C(=O)OCC1=C)C)OC(=O)C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePetasites formosanus Ref.
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