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@@H]12[C@@H]([C@@H]3[C@@H](CCC1=C)[C@](C(=O)O3)(COC(=O)C)O)C(=C)[C@H](C2)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCentaurea solstitialis Ref.
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