input word = C00012396

Metabolite InformationStructural formula
Name (4R*,6Z,8R*,10S*,11E)-8-(Acetyloxy)-3-[(acetyloxy)methyl]-2,4,5,8,9,10-hexahydro-10-hydroxy-6,10-dimethyl-2-oxocyclodeca[b]furan-4-yl ester 2-methyl-2-propenoic acid
Formula C23H28O9
Mw 448.17333249
CAS RN 76010-16-7
C_ID C00012396 ,
InChIKey SBZYIOCHWBZFIG-BKKOZYJVNA-N
InChICode InChI=1S/C23H28O9/c1-12(2)21(26)31-18-8-13(3)7-16(30-15(5)25)9-23(6,28)10-19-20(18)17(22(27)32-19)11-29-14(4)24/h7,10,16,18,28H,1,8-9,11H2,2-6H3/b13-7-,19-10+/t16-,18+,23-/m0/s1
SMILES C12=C(C(=O)O/C/1=C/[C@](C[C@H](/C=C(\C[C@H]2OC(=O)C(=C)C)/C)OC(=O)C)(O)C)COC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeRolandra fruticosa Ref.
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