input word = C00012982

Metabolite InformationStructural formula
Name beta-Liriodenolide
[3aR-(3aalpha,4beta,5abeta,6beta,9aalpha,9bbeta)]-4-(Acetyloxy)decahydro-6-hydroxy-5a-methyl-3,9-bis(methylene)-naphtho[1,2-b]furan-2(3H)-one
Formula C17H22O5
Mw 306.14672381
CAS RN 69845-02-9
C_ID C00012982 ,
InChIKey REKMRDLPINOZME-BNEZDRQONA-N
InChICode InChI=1S/C17H22O5/c1-8-5-6-12(19)17(4)7-11(21-10(3)18)13-9(2)16(20)22-15(13)14(8)17/h11-15,19H,1-2,5-7H2,3-4H3/t11-,12-,13-,14-,15+,17+/m1/s1
SMILES C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(C)=O)C[C@@]1(C)[C@H](O)CCC(=C)[C@H]21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMagnoliaceaeLiriodendron tulipifera Ref.
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