input word = C00039660

Metabolite InformationStructural formula
Name Luffariellin B
Formula C25H36O5
Mw 416.25627426
CAS RN 108663-78-1
C_ID C00039660 ,
InChIKey FIJWKNVOCSKASL-YPEOXVRSNA-N
InChICode InChI=1S/C25H36O5/c1-17(2)25(13-6-8-19(25)4)14-12-18(3)7-5-9-20(16-26)10-11-22(27)21-15-23(28)30-24(21)29/h7,10,15-16,19,22,24,27,29H,1,5-6,8-9,11-14H2,2-4H3/b18-7+,20-10-/t19-,22-,24+,25-/m0/s1
SMILES C=C(C)C1(CC/C(C)=C/CC/C(C=O)=C/CC(O)C2=CC(=O)OC2O)CCCC1C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Luffariella variabilis Ref.
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