input word = C00039011

Metabolite InformationStructural formula
Name Dicerandrol C
(+)-Dicerandrol C
Formula C38H38O16
Mw 750.21598517
CAS RN 361445-55-8
C_ID C00039011 ,
InChIKey LYWOIRXBEDUAPM-GHSJDJAQNA-N
InChICode InChI=1S/C38H38O16/c1-15-11-23(43)29-33(47)27-25(53-37(29,13-49-17(3)39)35(15)51-19(5)41)9-7-21(31(27)45)22-8-10-26-28(32(22)46)34(48)30-24(44)12-16(2)36(52-20(6)42)38(30,54-26)14-50-18(4)40/h7-10,15-16,35-36,43-46H,11-14H2,1-6H3/t15-,16-,35-,36-,37+,38+/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)COC(=O)C)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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