input word = C00033603

Metabolite InformationStructural formula
Name 8-O-Isobutyryl-9-O-acetylanthemolide B
(-)-8-O-Isobutyryl-9-O-acetylanthemolide B
Formula C21H28O9
Mw 424.17333249
CAS RN 198065-74-6
C_ID C00033603 ,
InChIKey MFFDNJQADQPGPW-PXJOVLAUNA-N
InChICode InChI=1S/C21H28O9/c1-9(2)18(23)29-16-13-10(3)19(24)28-15(13)14-12(7-8-20(14,5)30-26)21(6,25)17(16)27-11(4)22/h7-9,12-17,25-26H,3H2,1-2,4-6H3/t12-,13+,14-,15+,16+,17+,20-,21-/m0/s1
SMILES [C@H]12[C@@H]3[C@@H]([C@]([C@@H]([C@@H]([C@@H]1C(=C)C(=O)O2)OC(=O)C(C)C)OC(=O)C)(C)O)C=C[C@]3(C)OO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAnthemis carpatica Ref.
PlantaeAsteraceaeAnthemis cretica subsp.cretica Ref.
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