input word = C00042444

Metabolite InformationStructural formula
Name Daedaleaside B
(+)-Daedaleaside B
Formula C39H58O10
Mw 686.40299807
CAS RN 861399-69-1
C_ID C00042444 ,
InChIKey IKPJJKUNGRXSOG-OQWXSBENNA-N
InChICode InChI=1S/C39H58O10/c1-20(2)21(3)10-11-23(34(46)49-35-33(45)32(44)31(43)27(19-40)48-35)30-26(47-22(4)41)18-39(9)25-12-13-28-36(5,6)29(42)15-16-37(28,7)24(25)14-17-38(30,39)8/h12,14,20,23,26-28,30-33,35,40,43-45H,3,10-11,13,15-19H2,1-2,4-9H3/t23-,26-,27-,28+,30+,31-,32+,33-,35+,37-,38-,39+/m1/s1
SMILES C1=C2C(=CC[C@@H]3[C@@]2(CCC(=O)C3(C)C)C)[C@]2([C@](C1)([C@H]([C@@H](C2)OC(=O)C)[C@@H](CCC(=C)C(C)C)C(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiFomitopsidaceaeDaedalea dickinsii Ref.
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