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 C1(=O)C(=C)[C@H]2[C@@H](O1)[C@@H]1C(=C([C@H]([C@H]2OC(=O)/C(=C/C)/COC(=O)C)O)C)C(=O)C(=C1C)Cl
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeLasiolaena santosii Ref.
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