input word = C00012129

Metabolite InformationStructural formula
Name 8beta-Propionyloxy-10beta-hydroxyhirsutinolide-13-O-acetate
Formula C20H26O9
Mw 410.15768243
CAS RN 71305-86-7
C_ID C00012129 ,
InChIKey NCJSAZKFIQOZGZ-KIKHGKDDNA-N
InChICode InChI=1S/C20H26O9/c1-10-16(27-12(3)22)15-13(9-26-11(2)21)17(23)28-14(15)8-18(4)6-7-20(25,29-18)19(10,5)24/h8,10,16,24-25H,6-7,9H2,1-5H3/b14-8+/t10-,16+,18-,19-,20+/m0/s1
SMILES CC(=O)OCC1=C2/C(=C[C@]3(C)CC[C@@](O)(O3)[C@@](C)(O)C(C)[C@H]2OC(C)=O)OC1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeVernonia scorpioides Ref.
zoom in



OrganismVernonia scorpioides
ReferenceBohlmann,Phytochem.,17,(1983),475