input word = C00012873

Metabolite InformationStructural formula
Name Pulchellin E
[3aR-(3aalpha,4aalpha,6beta,7alpha,8abeta,9aalpha)]-6-(Acetyloxy)decahydro-7-hydroxy-8a-methyl-3,5-bis(methylene)-naphtho[2,3-b]furan-2(3H)-one
Formula C17H22O5
Mw 306.14672381
CAS RN 22660-69-1
C_ID C00012873 ,
InChIKey SLPRVQMWUDZQNX-YYZRPDGENA-N
InChICode InChI=1S/C17H22O5/c1-8-11-5-12-9(2)15(21-10(3)18)13(19)6-17(12,4)7-14(11)22-16(8)20/h11-15,19H,1-2,5-7H2,3-4H3/t11-,12+,13-,14-,15-,17+/m1/s1
SMILES C=C1C(=O)O[C@@H]2C[C@@]3(C)C[C@@H](O)[C@H](OC(C)=O)C(=C)[C@@H]3C[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeGaillardia pulchella Ref.
zoom in