input word = C00046095

Metabolite InformationStructural formula
Name Luffariolide J
Formula C25H36O5
Mw 416.25627426
CAS RN 472958-10-4
C_ID C00046095 ,
InChIKey XJKDZNIKFFJKMU-LUKXJPRPNA-N
InChICode InChI=1S/C25H36O5/c1-17(10-12-21-18(2)8-6-14-25(21,3)4)7-5-9-19(16-26)11-13-22(27)20-15-23(28)30-24(20)29/h7-8,11,15-16,21-22,24,27,29H,5-6,9-10,12-14H2,1-4H3/b17-7+,19-11+/t21-,22-,24-/m1/s1
SMILES CC1=CCCC(C)(C)C1CC/C(C)=C/CC/C(C=O)=CC[C@@H](O)C1=CC(=O)OC1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Luffariella sp. Ref.
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