input word = C00020854

Metabolite InformationStructural formula
Name Solstitialin A 13-acetate
Formula C17H22O6
Mw 322.14163844
CAS RN 24470-33-5
C_ID C00020854 ,
InChIKey XIVYFPUTCCJWCJ-YYZRPDGENA-N
InChICode InChI=1S/C17H22O6/c1-8-4-5-12-15(14-9(2)13(19)6-11(8)14)23-16(20)17(12,21)7-22-10(3)18/h11-15,19,21H,1-2,4-7H2,3H3/t11-,12+,13-,14-,15-,17-/m0/s1
SMILES C=C1[C@@H]2[C@H]3OC(=O)[C@](O)(COC(C)=O)[C@@H]3CCC(=C)[C@@H]2C[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCentaurea solstitialis Ref.
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