input word = C00033836

Metabolite InformationStructural formula
Name Estafiatin 8-O-isovalerate
Formula C20H26O5
Mw 346.17802394
CAS RN 133740-01-9
C_ID C00033836 ,
InChIKey KYHPIHQGFRVZSS-XKVSGVIFNA-N
InChICode InChI=1S/C20H26O5/c1-6-9(2)18(21)23-13-7-10(3)12-8-14-20(5,25-14)16(12)17-15(13)11(4)19(22)24-17/h9,12-17H,3-4,6-8H2,1-2,5H3/t9-,12+,13+,14-,15-,16+,17-,20-/m1/s1
SMILES [C@H]12[C@H](C(=C)C[C@@H]([C@@H]3[C@H]1OC(=O)C3=C)OC(=O)[C@@H](CC)C)C[C@@H]1[C@@]2(C)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAnthemis melampodina Ref.
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