input word = C00047957

Metabolite InformationStructural formula
Name Laurycolactone A
Formula C18H22O5
Mw 318.14672381
CAS RN 85643-76-1
C_ID C00047957 ,
InChIKey WDYBZQLVYRBSPT-UHFFFAOYNA-N
InChICode InChI=1S/C18H22O5/c1-7-5-10(19)17(3)9(7)6-11(20)18(4)12-8(2)14(23-16(12)22)13(21)15(17)18/h5,8-9,12-15,21H,6H2,1-4H3/t8-,9-,12-,13+,14-,15-,17-,18+/m1/s1
SMILES CC1=CC(=O)C2(C)C1CC(=O)C1(C)C3C(=O)OC(C3C)C(O)C21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSimaroubaceaeEurycoma longifolia Ref.
PlantaeSimaroubaceaeEurycoma sp. Ref.
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