input word = C00039662

Metabolite InformationStructural formula
Name Luffolide
Formula C27H40O6
Mw 460.28248901
CAS RN 121449-94-3
C_ID C00039662 ,
InChIKey QPTVAYUFYIWGFW-SZVFEMGANA-N
InChICode InChI=1S/C27H40O6/c1-16(29)32-20(18-13-23(30)33-24(18)31)14-19-17(15-28)7-8-22-26(19,4)12-9-21-25(2,3)10-6-11-27(21,22)5/h13,15,17,19-22,24,31H,6-12,14H2,1-5H3/t17-,19-,20-,21+,22+,24-,26+,27+/m1/s1
SMILES CC(=O)O[C@H](C[C@@H]1[C@@H](C=O)CC[C@H]2[C@@]1(C)CC[C@H]1C(C)(C)CCC[C@]21C)C1=CC(=O)O[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Luffariella sp. Ref.
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OrganismLuffariella sp.
ReferenceNakao,J.Nat.Prod.,70,(2007),689