input word = C00012975

Metabolite InformationStructural formula
Name alpha-Liriodenolide
[3aR-(3aalpha,4beta,5abeta,6beta,9aalpha,9bbeta)]-4-(acetyloxy)-3a,4,5,5a,6,7,9a,9b-octahydro-6-hydroxy-5a,9-dimethyl-3-methylenenaphtho[1,2-b]furan-2(3H)-one
Formula C17H22O5
Mw 306.14672381
CAS RN 56064-70-1
C_ID C00012975 ,
InChIKey AKSKHQQIZQNYLX-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/h5,11-15,19H,2,6-7H2,1,3-4H3/t11-,12-,13-,14-,15+,17+/m1/s1
SMILES [C@@H]1([C@]2([C@H](C(=CC1)C)[C@@H]1[C@@H]([C@@H](C2)OC(=O)C)C(=C)C(=O)O1)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMagnoliaceaeLiriodendron tulipifera Ref.
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