input word = C00055044

Metabolite InformationStructural formula
Name Cinncassiol E
Formula C20H30O8
Mw 398.19406794
CAS RN 98751-76-9
C_ID C00055044
InChIKey KFWCNRCQYZWAFT-QLAQCCNWSA-N
InChICode InChI=1S/C20H30O8/c1-9(2)14-8-16(22)12(4)11(14)18(24)13(5,27-14)19(16,25)20(26,28-18)17(23)10(3)6-7-15(12,17)21/h9-11,21-26H,6-8H2,1-5H3/t10-,11?,12?,13-,14?,15+,16-,17+,18?,19-,20-/m1/s1
SMILES CC(C)C12C[C@@]3(O)C4(C)C1C1(O)O[C@](O)([C@]5(O)[C@H](C)CC[C@]45O)[C@@]3(O)[C@]1(C)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLauraceaeCinnamomum cassia Ref.
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