input word = C00021131

Metabolite InformationStructural formula
Name Thurberilin
Formula C20H26O5
Mw 346.17802394
CAS RN 3668-12-0
C_ID C00021131 ,
InChIKey KUPPZVXLWANEJJ-IPIZHVOCNA-N
InChICode InChI=1S/C20H26O5/c1-6-10(2)18(22)25-17-16-12(4)19(23)24-14(16)9-11(3)13-7-8-15(21)20(13,17)5/h6-8,11-14,16-17H,9H2,1-5H3/b10-6-/t11-,12-,13+,14+,16+,17+,20+/m1/s1
SMILES C/C=C(/C)C(=O)O[C@H]1[C@H]2[C@H](C[C@@H](C)[C@@H]3C=CC(=O)[C@]31C)OC(=O)[C@@H]2C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeHelenium thurberi Ref.
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