input word = C00039010

Metabolite InformationStructural formula
Name Dicerandrol B
(-)-Dicerandrol B
Formula C36H36O15
Mw 708.20542048
CAS RN 361445-54-7
C_ID C00039010 ,
InChIKey WRLHYRADHSNDLJ-CIWPLGEZNA-N
InChICode InChI=1S/C36H36O15/c1-14-10-21(41)27-31(45)25-23(50-35(27,12-37)33(14)48-17(4)39)8-6-19(29(25)43)20-7-9-24-26(30(20)44)32(46)28-22(42)11-15(2)34(49-18(5)40)36(28,51-24)13-47-16(3)38/h6-9,14-15,33-34,37,41-44H,10-13H2,1-5H3/t14-,15-,33-,34-,35+,36+/m1/s1
SMILES C12=C(C[C@H]([C@H]([C@]1(Oc1c(C2=O)c(c(cc1)c1ccc2O[C@]3(C(=C(C[C@H]([C@H]3OC(=O)C)C)O)C(=O)c2c1O)CO)O)COC(=O)C)OC(=O)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiValsaceaePhomopsis longicolla Ref.
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