input word = C00020528

Metabolite InformationStructural formula
Name 9beta-Acetoxy-3-chloro-8beta-(5-acetoxy-tiglinoyloxy)-dehydroleucodin
Formula C24H25ClO9
Mw 492.11871011
CAS RN 80377-86-2
C_ID C00020528 ,
InChIKey BPCQQXKLCCFMCH-UVHIDKMFNA-N
InChICode InChI=1S/C24H25ClO9/c1-7-14(8-31-12(5)26)24(30)34-22-17-11(4)23(29)33-21(17)16-9(2)18(25)19(28)15(16)10(3)20(22)32-13(6)27/h7,16-17,20-22H,4,8H2,1-3,5-6H3/b14-7+/t16-,17-,20+,21-,22-/m0/s1
SMILES C=C1C(=O)O[C@@H]2[C@H]3C(C)=C(Cl)C(=O)C3=C(C)[C@@H](OC(C)=O)[C@@H](OC(=O)/C(=C/C)COC(C)=O)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeLasiolaena santosii Ref.
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