input word = C00012128

Metabolite InformationStructural formula
Name 8beta-Acetoxy-10beta-hydroxyhirsutinolide 1,13-O-diacetate
Formula C21H26O10
Mw 438.15259705
CAS RN 72712-42-6
C_ID C00012128 ,
InChIKey SLFXSRCDJNCMKH-KLDMWYMSNA-N
InChICode InChI=1S/C21H26O10/c1-11(22)27-10-14-17-15(29-18(14)25)8-19(4)6-7-21(26,31-19)20(5,30-13(3)24)9-16(17)28-12(2)23/h8,16,26H,6-7,9-10H2,1-5H3/b15-8+/t16-,19+,20+,21-/m1/s1
SMILES CC(=O)OCC1=C2/C(=C[C@]3(C)CC[C@@](O)(O3)[C@@](C)(OC(C)=O)C[C@H]2OC(C)=O)OC1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeVernonia saltensis Ref.
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