input word = C00020529

Metabolite InformationStructural formula
Name 3-Chloro-8beta-(5-acetoxy-tiglinoyloxy)-dehydroleucodin
Formula C22H23ClO7
Mw 434.1132308
CAS RN 80388-14-3
C_ID C00020529 ,
InChIKey QEJGDCYPSZBZMO-QLKDUKSHNA-N
InChICode InChI=1S/C22H23ClO7/c1-6-13(8-28-12(5)24)22(27)29-14-7-9(2)15-17(10(3)18(23)19(15)25)20-16(14)11(4)21(26)30-20/h6,14,16-17,20H,4,7-8H2,1-3,5H3/b13-6+/t14-,16-,17+,20-/m1/s1
SMILES C1(=O)C(=C)[C@H]2[C@@H](O1)[C@@H]1C(=C(C[C@H]2OC(=O)/C(=C/C)/COC(=O)C)C)C(=O)C(=C1C)Cl
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeLasiolaena santosii Ref.
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