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 C1CC([C@H]2[C@](C1)([C@]13C(=C[C@@H]2OC(=O)C)[C@H](O[C@H]1O[C@H](O3)C1=C[C@@H]([C@@H]2[C@@]([C@@]1(O)C=O)(CCCC2(C)C)C)OC(=O)C)O)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCanellaceaeCinnamosma fragrans Ref.
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