input word = C00049376

Metabolite InformationStructural formula
Name Excavatolide J
(+)-Excavatolide J
Formula C32H44O13
Mw 636.27819149
CAS RN 221664-92-2
C_ID C00049376 ,
InChIKey RDDNEKXKTMRLDN-RFYRTBDQNA-N
InChICode InChI=1S/C32H44O13/c1-10-11-25(37)43-21-14-23(40-18(5)34)30(8)26(16(21)3)28(42-20(7)36)32-24(44-29(38)31(32,9)45-32)13-15(2)12-22(39-17(4)33)27(30)41-19(6)35/h13,16,21-24,26-28H,10-12,14H2,1-9H3/b15-13-/t16-,21-,22-,23-,24-,26+,27+,28+,30-,31-,32-/m0/s1
SMILES CCCC(=O)O[C@H]1C[C@H](OC(C)=O)[C@@]2(C)[C@H]([C@H]1C)[C@@H](OC(C)=O)[C@]13O[C@@]1(C)C(=O)O[C@H]3/C=C(/C)C[C@H](OC(C)=O)[C@H]2OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Briareum excavatum Ref.
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OrganismBriareum excavatum
ReferenceSung,J.Nat.Prod.,62,(1999),457