input word = C00011866

Metabolite InformationStructural formula
Name Tagitinin E
Formula C19H26O6
Mw 350.17293856
CAS RN 59979-58-7
C_ID C00011866 ,
InChIKey QSOMGPFBPSJEFH-JWRADEPTNA-N
InChICode InChI=1S/C19H26O6/c1-9(2)17(21)24-14-8-19(5)15(25-19)7-12(20)10(3)6-13-16(14)11(4)18(22)23-13/h6,9,12-16,20H,4,7-8H2,1-3,5H3/b10-6-/t12-,13-,14+,15+,16+,19-/m0/s1
SMILES C=C1C(=O)O[C@H]2/C=C(/C)[C@@H](O)C[C@H]3O[C@@]3(C)C[C@@H](OC(=O)C(C)C)C12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeHelianthus tuberosus Ref.
PlantaeAsteraceaeTithonia diversifolia Ref.
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