input word = C00041439

Metabolite InformationStructural formula
Name Cinnafragrin A
(-)-Cinnafragrin A
Formula C34H48O10
Mw 616.32474775
CAS RN 910246-11-6
C_ID C00041439 ,
InChIKey ASRYDWWUAZEWIH-MNJOZPKBNA-N
InChICode InChI=1S/C34H48O10/c1-18(36)40-22-15-20-26(38)42-28-34(20,32(8)14-10-12-30(5,6)25(22)32)44-27(43-28)21-16-23(41-19(2)37)24-29(3,4)11-9-13-31(24,7)33(21,39)17-35/h15-17,22-28,38-39H,9-14H2,1-8H3/t22-,23-,24-,25-,26-,27+,28-,31-,32-,33+,34-/m0/s1
SMILES CC(=O)O[C@@H]1C=C([C@@H]2O[C@@H]3O[C@H](O)C4=C[C@@H](OC(C)=O)[C@H]5C(C)(C)CCC[C@]5(C)[C@]43O2)[C@](O)(C=O)[C@@]2(C)CCCC(C)(C)[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCanellaceaeCinnamosma fragrans Ref.
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OrganismCinnamosma fragrans
ReferenceHarinantenaina,J.Nat.Prod.,69,(2006),1193