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 [C@@]1([C@H]([C@H](C2=C(C(=O)O/C/2=C/[C@@]2(CC[C@]1(O2)O)C)COC(=O)C)OC(=O)C)C)(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeVernonia scorpioides Ref.
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