input word = C00039659

Metabolite InformationStructural formula
Name Luffariellin A
Formula C25H36O5
Mw 416.25627426
CAS RN 108663-77-0
C_ID C00039659 ,
InChIKey IFOBOXQQSZZOFG-REZTVBANNA-N
InChICode InChI=1S/C25H36O5/c1-16(2)25(13-6-8-18(25)4)14-12-17(3)7-5-9-19-10-11-21(29-23(19)27)20-15-22(26)30-24(20)28/h7,10,15,18,21,23-24,27-28H,1,5-6,8-9,11-14H2,2-4H3/b17-7+/t18-,21-,23-,24-,25-/m1/s1
SMILES C=C(C)C1(CC/C(C)=C/CCC2=CCC(C3=CC(=O)OC3O)OC2O)CCCC1C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Luffariella variabilis Ref.
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