input word = C00020530

Metabolite InformationStructural formula
Name 3-Chloro-9beta-hydroxy-8beta-(5-acetoxy-tiglinoyloxy)-dehydroleucodin
Formula C22H23ClO8
Mw 450.10814542
CAS RN 80377-87-3
C_ID C00020530 ,
InChIKey VTHACUIBICUQIO-ZCTJSYHHNA-N
InChICode InChI=1S/C22H23ClO8/c1-6-12(7-29-11(5)24)22(28)31-20-15-10(4)21(27)30-19(15)14-8(2)16(23)18(26)13(14)9(3)17(20)25/h6,14-15,17,19-20,25H,4,7H2,1-3,5H3/b12-6+/t14-,15-,17+,19-,20-/m0/s1
SMILES C=C1C(=O)O[C@@H]2[C@H]3C(C)=C(Cl)C(=O)C3=C(C)[C@@H](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.
zoom in