input word = C00041440

Metabolite InformationStructural formula
Name Cinnafragrin B
(-)-Cinnafragrin B
Formula C35H50O10
Mw 630.34039782
CAS RN 910246-14-9
C_ID C00041440 ,
InChIKey YTRTYDPOBBBIPO-KEIOWMRRNA-N
InChICode InChI=1S/C35H50O10/c1-19(37)41-23-16-21(34(39,18-36)32(7)14-10-12-30(3,4)25(23)32)28-44-29-35(45-28)22(27(40-9)43-29)17-24(42-20(2)38)26-31(5,6)13-11-15-33(26,35)8/h16-18,23-29,39H,10-15H2,1-9H3/t23-,24-,25-,26-,27-,28+,29-,32-,33-,34+,35-/m0/s1
SMILES CO[C@H]1O[C@H]2O[C@@H](C3=C[C@@H](OC(C)=O)[C@H]4C(C)(C)CCC[C@]4(C)[C@@]3(O)C=O)O[C@@]23C1=C[C@@H](OC(C)=O)[C@H]1C(C)(C)CCC[C@@]13C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCanellaceaeCinnamosma fragrans Ref.
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